
Supplementary Data for Likhacheva et al.  Deposit AM-13-022; Jan 2013 American Mineralogist

data_REF1_publ

_pd_block_id
  2012-03-28T14:20|REF1|anya|si

_audit_creation_method  "from EXP file using GSAS2CIF"
_audit_creation_date                   2012-03-28T14:20
_audit_author_name                     anya
_audit_update_record
; 2012-03-28T14:20  Initial CIF as created by GSAS2CIF
;

#=============================================================================
# this information describes the project, paper etc. for the CIF             #
# Acta Cryst. Section C papers and editorial correspondence is generated     #
# from the information in this section                                       #
#                                                                            #
#   (from)   CIF submission form for Rietveld refinements (Acta Cryst. C)    #
#                                                 Version 14 December 1998   #
#=============================================================================
# 1. SUBMISSION DETAILS

_publ_contact_author_name            ?   # Name of author for correspondence
_publ_contact_author_address             # Address of author for correspondence
; ?
;
_publ_contact_author_email           ?
_publ_contact_author_fax             ?
_publ_contact_author_phone           ?

_publ_contact_letter
; ?
;

_publ_requested_journal              ?
_publ_requested_coeditor_name        ?
_publ_requested_category             ?   # Acta C: one of CI/CM/CO/FI/FM/FO

#==============================================================================

# 2. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_data_validation_number      ?

_journal_date_recd_electronic        ?
_journal_date_to_coeditor            ?
_journal_date_from_coeditor          ?
_journal_date_accepted               ?
_journal_date_printers_first         ?
_journal_date_printers_final         ?
_journal_date_proofs_out             ?
_journal_date_proofs_in              ?
_journal_coeditor_name               ?
_journal_coeditor_code               ?
_journal_coeditor_notes
; ?
;
_journal_techeditor_code             ?
_journal_techeditor_notes
; ?
;
_journal_coden_ASTM                  ?
_journal_name_full                   ?
_journal_year                        ?
_journal_volume                      ?
_journal_issue                       ?
_journal_page_first                  ?
_journal_page_last                   ?
_journal_paper_category              ?
_journal_suppl_publ_number           ?
_journal_suppl_publ_pages            ?

#==============================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
; ?
;
_publ_section_title_footnote
; ?
;

# The loop structure below should contain the names and addresses of all
# authors, in the required order of publication. Repeat as necessary.

loop_
	_publ_author_name
        _publ_author_footnote
	_publ_author_address
 ?                                   #<--'Last name, first name'
; ?
;
; ?
;

#==============================================================================

# 4. TEXT

_publ_section_synopsis
;  ?
;
_publ_section_abstract
; ?
;
_publ_section_comment
; ?
;
_publ_section_exptl_prep      # Details of the preparation of the sample(s)
                              # should be given here.
; ?
;
_publ_section_exptl_refinement
; ?
;
_publ_section_references
; ?
;
_publ_section_figure_captions
; ?
;
_publ_section_acknowledgements
; ?
;

#=============================================================================
# 5. OVERALL REFINEMENT & COMPUTING DETAILS

_refine_special_details
; ?
;
_pd_proc_ls_special_details
; ?
;

# The following items are used to identify the programs used.
_computing_molecular_graphics     ?
_computing_publication_material   ?

_refine_ls_weighting_scheme       ?
_refine_ls_weighting_details      ?
_refine_ls_hydrogen_treatment     ?
_refine_ls_extinction_method      ?
_refine_ls_extinction_coef        ?
_refine_ls_number_constraints     ?

_refine_ls_restrained_S_all       ?
_refine_ls_restrained_S_obs       ?

#==============================================================================
# 6. SAMPLE PREPARATION DATA

# (In the unusual case where multiple samples are used in a single
#  Rietveld study, this information should be moved into the phase
#  blocks)

# The following three fields describe the preparation of the material.
# The cooling rate is in K/min.  The pressure at which the sample was
# prepared is in kPa.  The temperature of preparation is in K.

_pd_prep_cool_rate                ?
_pd_prep_pressure                 ?
_pd_prep_temperature              ?

_pd_char_colour                   ?       # use ICDD colour descriptions
_refine_ls_shift/su_max                4.73
_refine_ls_shift/su_mean               0.74
_computing_structure_refinement        GSAS
_refine_ls_number_parameters           65
_refine_ls_goodness_of_fit_all         0.21
_refine_ls_number_restraints           18
_refine_ls_matrix_type                 full
#==============================================================================
# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA

_pd_char_particle_morphology      ?

_chemical_name_systematic
; ?
;
_chemical_name_common             ?
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_melting_point           ?
_chemical_compound_source         ?       # for minerals and
                                          # natural products
_symmetry_space_group_name_Hall   ?

_exptl_crystal_F_000               ?
_exptl_crystal_density_diffrn      ?
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?

_cell_measurement_temperature     ?

_cell_special_details
; ?
;

_geom_special_details             ?

# The following item identifies the program(s) used (if appropriate).
_computing_structure_solution     ?

#==============================================================================

# 8. Phase information from GSAS

_pd_phase_name                         "InitHoch Ref1"
_cell_length_a                         16.9443(17)
_cell_length_b                         9.6558(10)
_cell_length_c                         9.2158(8)
_cell_angle_alpha                      90.0
_cell_angle_beta                       90.0
_cell_angle_gamma                      90.0
_cell_volume                           1507.81(19)
_symmetry_cell_setting                 orthorhombic
_symmetry_space_group_name_H-M         "C c c m"
loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz
       1 +x,+y,+z 
       2 -x,+y,+z+1/2 
       3 +x,-y,+z+1/2 
       4 -x,-y,+z 
      -1 -x,-y,-z 
      -2 +x,-y,-z+1/2 
      -3 -x,+y,-z+1/2 
      -4 +x,+y,-z 
     101 +x+1/2,+y+1/2,+z 
     102 -x+1/2,+y+1/2,+z+1/2 
     103 +x+1/2,-y+1/2,+z+1/2 
     104 -x+1/2,-y+1/2,+z 
    -101 -x+1/2,-y+1/2,-z 
    -102 +x+1/2,-y+1/2,-z+1/2 
    -103 -x+1/2,+y+1/2,-z+1/2 
    -104 +x+1/2,+y+1/2,-z 

# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


loop_
      _atom_site_type_symbol
      _atom_site_label
      _atom_site_fract_x
      _atom_site_fract_y
      _atom_site_fract_z
      _atom_site_occupancy
      _atom_site_thermal_displace_type
      _atom_site_U_iso_or_equiv
      _atom_site_symmetry_multiplicity
Mg
Mg      0.16251(19)  0.5          0.25         1.0        Uiso   0.008         8
Si
Si1     0.19330(18)  0.07959(27)  0.0          1.0        Uiso   0.008         8
Si
Si2     0.0          0.5          0.25         1.0        Uiso   0.008         4
Si
Si3    -0.13775(17)  0.23715(28)  0.0          1.0        Uiso   0.008         8
Si
Si4     0.0503(8)    0.3126(10)   0.0          1.0        Uiso   0.008         8
Al
Al      0.25         0.25         0.2477(6)    1.0        Uiso   0.008         8
O 
O1      0.24683(19)  0.0984(4)    0.14347(29)  1.0        Uiso   0.01         16
O 
O2     -0.1705(5)    0.08309(28)  0.0          1.0        Uiso   0.01          8
O 
O3      0.12320(28)  0.1903(6)    0.0          1.0        Uiso   0.01          8
O 
O4      0.06471(27)  0.4133(9)    0.1531(8)    1.0        Uiso   0.01         16
O 
O5     -0.04355(18)  0.2472(18)   0.0          1.0        Uiso   0.01          8
O 
O6     -0.17064(26)  0.31352(27)  0.14239(30)  1.0        Uiso   0.01         16
Na
Na      0.0          0.0          0.0          0.077      Uiso   0.025         4
F 
Ow1     0.0          0.0          0.25         0.133(19)  Uiso   0.1           4
F 
Ow2     0.007(17)    0.017(31)    0.317(7)     0.110(5)   Uiso   0.1          16
F 
Ow3     0.0          0.0          0.0          0.117(17)  Uiso   0.1           4
 
# If you change Z, be sure to change all 3 of the following
_chemical_formula_sum                  "Al2 F0.69 Mg2 Na0.08 O18 Si7"
_chemical_formula_weight               602.00
_cell_formula_units_Z                  4

# MOLECULAR GEOMETRY

loop_
      _geom_bond_atom_site_label_1
      _geom_bond_atom_site_label_2
      _geom_bond_distance
      _geom_bond_site_symmetry_1
      _geom_bond_site_symmetry_2
      _geom_bond_publ_flag
  Mg        Si2             2.7536(32)  .      1_555  N
  Mg        Al              2.8329(17)  .      1_555  N
  Mg        Al              2.8329(17)  .     -2_565  N
  Mg        O1              2.0559(27)  .    104_555  N
  Mg        O1              2.0559(27)  .   -103_445  N
  Mg        O4                2.060(4)  .      1_555  N
  Mg        O4                2.060(4)  .     -2_565  N
  Mg        O6              2.0603(21)  .      4_565  N
  Mg        O6              2.0603(21)  .     -3_555  N
  Si1       Al                2.973(4)  .      1_555  N
  Si1       Al                2.973(4)  .     -4_555  N
  Si1       O1              1.6137(21)  .      1_555  N
  Si1       O1              1.6137(21)  .     -4_555  N
  Si1       O2              1.6174(27)  .      4_555  N
  Si1       O3              1.5980(34)  .      1_555  N
  Si1       Na              3.3642(30)  .      1_555  N
  Si2       Mg              2.7536(32)  .      1_555  N
  Si2       Mg              2.7536(32)  .      4_565  N
  Si2       O4                1.643(7)  .      1_555  N
  Si2       O4                1.643(7)  .      4_565  N
  Si2       O4                1.643(7)  .     -2_565  N
  Si2       O4                1.643(7)  .     -3_555  N
  Si3       Al                3.007(4)  .      2_554  N
  Si3       Al                3.007(4)  .     -3_555  N
  Si3       O2              1.5879(29)  .      1_555  N
  Si3       O5              1.5991(28)  .      1_555  N
  Si3       O6              1.6051(21)  .      1_555  N
  Si3       O6              1.6051(21)  .     -4_555  N
  Si3       Na              3.2698(28)  .      1_555  N
  Si4       O3               1.709(13)  .      1_555  N
  Si4       O4                1.731(8)  .      1_555  N
  Si4       O4                1.731(8)  .     -4_555  N
  Si4       O5               1.710(15)  .      1_555  N
  Si4       Na               3.136(10)  .      1_555  N
  Al        Mg              2.8329(17)  .      1_555  N
  Al        Mg              2.8329(17)  .    104_555  N
  Al        Si1               2.973(4)  .      1_555  N
  Al        Si1               2.973(4)  .    104_555  N
  Al        Si3               3.007(4)  .      2_555  N
  Al        Si3               3.007(4)  .    103_555  N
  Al        O1              1.7514(33)  .      1_555  N
  Al        O1              1.7514(33)  .    104_555  N
  Al        O6              1.7919(33)  .     -3_555  N
  Al        O6              1.7919(33)  .   -102_445  N
  O1        Mg              2.0559(27)  .    104_555  N
  O1        Si1             1.6137(21)  .      1_555  N
  O1        Al              1.7514(33)  .      1_555  N
  O2        Si1             1.6174(27)  .      4_555  N
  O2        Si3             1.5879(29)  .      1_555  N
  O2        Na                2.999(8)  .      1_555  N
  O3        Si1             1.5980(34)  .      1_555  N
  O3        Si4              1.709(13)  .      1_555  N
  O3        Na                2.781(6)  .      1_555  N
  O4        Mg                2.060(4)  .      1_555  N
  O4        Si2               1.643(7)  .      1_555  N
  O4        Si4               1.731(8)  .      1_555  N
  O5        Si3             1.5991(28)  .      1_555  N
  O5        Si4              1.710(15)  .      1_555  N
  O5        Na               2.499(17)  .      1_555  N
  O6        Mg              2.0603(21)  .      4_565  N
  O6        Si3             1.6051(21)  .      1_555  N
  O6        Al              1.7919(33)  .     -3_555  N
  Na        Si1             3.3642(30)  .      1_555  N
  Na        Si1             3.3642(30)  .      4_555  N
  Na        Si3             3.2698(28)  .      1_555  N
  Na        Si3             3.2698(28)  .      4_555  N
  Na        Si4              3.136(10)  .      1_555  N
  Na        Si4              3.136(10)  .      4_555  N
  Na        O2                2.999(8)  .      1_555  N
  Na        O2                2.999(8)  .      4_555  N
  Na        O3                2.781(6)  .      1_555  N
  Na        O3                2.781(6)  .      4_555  N
  Na        O5               2.499(17)  .      1_555  N
  Na        O5               2.499(17)  .      4_555  N
  Na        Ow1            2.30396(20)  .      1_555  N
  Na        Ow1            2.30396(20)  .      2_554  N
  Na        Ow2                2.93(7)  .      1_555  N
  Na        Ow2                1.70(8)  .      2_554  N
  Na        Ow2                1.70(8)  .      3_554  N
  Na        Ow2                2.93(7)  .      4_555  N
  Na        Ow2                2.93(7)  .     -1_555  N
  Na        Ow2                1.70(8)  .     -2_555  N
  Na        Ow2                1.70(8)  .     -3_555  N
  Na        Ow2                2.93(7)  .     -4_555  N
  Ow1       Na             2.30396(20)  .      1_555  N
  Ow1       Na             2.30396(20)  .      2_555  N
  Ow1       Ow2                0.65(9)  .      1_555  N
  Ow1       Ow2                0.65(9)  .      4_555  N
  Ow1       Ow2                0.65(9)  .     -2_555  N
  Ow1       Ow2                0.65(9)  .     -3_555  N
  Ow1       Ow3            2.30396(20)  .      1_555  N
  Ow1       Ow3            2.30396(20)  .      2_555  N
  Ow2       Na                 2.93(7)  .      1_555  N
  Ow2       Na                 1.70(8)  .      2_555  N
  Ow2       Ow1                0.65(9)  .      1_555  N
  Ow2       Ow2                 0.4(5)  .      4_555  N
  Ow2       Ow2               1.28(19)  .     -2_555  N
  Ow2       Ow2               1.26(16)  .     -3_555  N
  Ow2       Ow3                1.70(8)  .      2_555  N
  Ow3       Ow1            2.30396(20)  .      1_555  N
  Ow3       Ow1            2.30396(20)  .      2_554  N
  Ow3       Ow2                1.70(8)  .      2_554  N
  Ow3       Ow2                1.70(8)  .      3_554  N
  Ow3       Ow2                1.70(8)  .     -2_555  N
  Ow3       Ow2                1.70(8)  .     -3_555  N

loop_
      _geom_angle_atom_site_label_1
      _geom_angle_atom_site_label_2
      _geom_angle_atom_site_label_3
      _geom_angle
      _geom_angle_site_symmetry_1
      _geom_angle_site_symmetry_2
      _geom_angle_site_symmetry_3
      _geom_angle_publ_flag
  Si2       Mg        Al               121.55(6)      1_555  .      1_555  N
  Si2       Mg        Al               121.55(6)      1_555  .     -2_456  N
  Si2       Mg        O1              138.35(13)      1_555  .    104_555  N
  Si2       Mg        O1              138.35(13)      1_555  .   -103_556  N
  Si2       Mg        O4               36.45(21)      1_555  .      1_555  N
  Si2       Mg        O4               36.45(21)      1_555  .     -2_566  N
  Si2       Mg        O6               93.83(15)      1_555  .      4_565  N
  Si2       Mg        O6               93.83(15)      1_555  .     -3_556  N
  Al        Mg        Al              116.89(11)      1_555  .     -2_456  N
  Al        Mg        O1                37.96(9)      1_555  .    104_555  N
  Al        Mg        O1               90.37(15)      1_555  .   -103_556  N
  Al        Mg        O4               94.09(24)      1_555  .      1_555  N
  Al        Mg        O4              140.40(28)      1_555  .     -2_566  N
  Al        Mg        O6              134.92(20)      1_555  .      4_565  N
  Al        Mg        O6               39.10(10)      1_555  .     -3_556  N
  Al        Mg        O1               90.37(15)     -2_566  .    104_555  N
  Al        Mg        O1                37.96(9)     -2_566  .   -103_556  N
  Al        Mg        O4              140.40(28)     -2_566  .      1_555  N
  Al        Mg        O4               94.09(24)     -2_566  .     -2_566  N
  Al        Mg        O6               39.10(10)     -2_566  .      4_565  N
  Al        Mg        O6              134.92(20)     -2_566  .     -3_556  N
  O1        Mg        O1               83.30(26)    104_555  .   -103_556  N
  O1        Mg        O4              101.90(23)    104_555  .      1_555  N
  O1        Mg        O4              174.77(27)    104_555  .     -2_566  N
  O1        Mg        O6               97.13(19)    104_555  .      4_565  N
  O1        Mg        O6               77.05(12)    104_555  .     -3_556  N
  O1        Mg        O4              174.77(27)   -103_556  .      1_555  N
  O1        Mg        O4              101.90(23)   -103_556  .     -2_566  N
  O1        Mg        O6               77.05(12)   -103_556  .      4_565  N
  O1        Mg        O6               97.13(19)   -103_556  .     -3_556  N
  O4        Mg        O4                 72.9(4)      1_555  .     -2_566  N
  O4        Mg        O6              101.56(29)      1_555  .      4_565  N
  O4        Mg        O6               84.67(29)      1_555  .     -3_556  N
  O4        Mg        O6               84.67(29)     -2_566  .      4_565  N
  O4        Mg        O6              101.56(29)     -2_566  .     -3_556  N
  O6        Mg        O6              172.34(31)      4_565  .     -3_556  N
  O1        Si1       O1              110.04(32)      1_555  .     -4_555  N
  O1        Si1       O2              104.09(24)      1_555  .      4_555  N
  O1        Si1       O3              110.02(19)      1_555  .      1_555  N
  O1        Si1       O2              104.09(24)     -4_555  .      4_555  N
  O1        Si1       O3              110.02(19)     -4_555  .      1_555  N
  O2        Si1       O3                118.2(4)      4_555  .      1_555  N
  Mg        Si2       Mg                   180.0      1_555  .      4_565  N
  Mg        Si2       O4               48.15(15)      1_555  .      1_555  N
  Mg        Si2       O4              131.85(15)      1_555  .      4_565  N
  Mg        Si2       O4               48.15(15)      1_555  .     -2_566  N
  Mg        Si2       O4              131.85(15)      1_555  .     -3_556  N
  Mg        Si2       O4              131.85(15)      4_565  .      1_555  N
  Mg        Si2       O4               48.15(15)      4_565  .      4_565  N
  Mg        Si2       O4              131.85(15)      4_565  .     -2_566  N
  Mg        Si2       O4               48.15(15)      4_565  .     -3_556  N
  O4        Si2       O4                114.2(5)      1_555  .      4_565  N
  O4        Si2       O4               96.30(30)      1_555  .     -2_566  N
  O4        Si2       O4                118.7(6)      1_555  .     -3_556  N
  O4        Si2       O4                118.7(6)      4_565  .     -2_566  N
  O4        Si2       O4               96.30(30)      4_565  .     -3_556  N
  O4        Si2       O4                114.2(5)     -2_566  .     -3_556  N
  O2        Si3       O5                114.0(7)      1_555  .      1_555  N
  O2        Si3       O6              108.00(19)      1_555  .      1_555  N
  O2        Si3       O6              108.00(19)      1_555  .     -4_555  N
  O5        Si3       O6                108.6(4)      1_555  .      1_555  N
  O5        Si3       O6                108.6(4)      1_555  .     -4_555  N
  O6        Si3       O6              109.68(33)      1_555  .     -4_555  N
  O3        Si4       O4                106.6(6)      1_555  .      1_555  N
  O3        Si4       O4                106.6(6)      1_555  .     -4_555  N
  O3        Si4       O5                114.6(8)      1_555  .      1_555  N
  O3        Si4       Na               62.06(35)      1_555  .      1_555  N
  O4        Si4       O4                109.2(8)      1_555  .     -4_555  N
  O4        Si4       O5                109.8(6)      1_555  .      1_555  N
  O4        Si4       Na                125.4(4)      1_555  .      1_555  N
  O4        Si4       O5                109.8(6)     -4_555  .      1_555  N
  O4        Si4       Na                125.4(4)     -4_555  .      1_555  N
  O5        Si4       Na                 52.6(6)      1_555  .      1_555  N
  Mg        Al        Mg              179.13(21)      1_555  .    104_555  N
  Mg        Al        O1              134.45(19)      1_555  .      1_555  N
  Mg        Al        O1                46.22(8)      1_555  .    104_555  N
  Mg        Al        O6                46.48(8)      1_555  .     -3_556  N
  Mg        Al        O6              132.85(19)      1_555  .   -102_556  N
  Mg        Al        O1                46.22(8)    104_555  .      1_555  N
  Mg        Al        O1              134.45(19)    104_555  .    104_555  N
  Mg        Al        O6              132.85(19)    104_555  .     -3_556  N
  Mg        Al        O6                46.48(8)    104_555  .   -102_556  N
  O1        Al        O1                113.5(4)      1_555  .    104_555  N
  O1        Al        O6              124.96(17)      1_555  .     -3_556  N
  O1        Al        O6               92.69(11)      1_555  .   -102_556  N
  O1        Al        O6               92.69(11)    104_555  .     -3_556  N
  O1        Al        O6              124.96(17)    104_555  .   -102_556  N
  O6        Al        O6                111.1(4)     -3_556  .   -102_556  N
  Mg        O1        Si1             139.40(22)    104_555  .      1_555  N
  Mg        O1        Al               95.83(12)    104_555  .      1_555  N
  Si1       O1        Al              124.10(26)      1_555  .      1_555  N
  Si1       O2        Si3               173.3(6)      4_555  .      1_555  N
  Si1       O3        Si4               178.3(6)      1_555  .      1_555  N
  Si1       O3        Na               96.65(27)      1_555  .      1_555  N
  Si4       O3        Na                 85.0(4)      1_555  .      1_555  N
  Mg        O4        Si2              95.40(31)      1_555  .      1_555  N
  Mg        O4        Si4               134.1(6)      1_555  .      1_555  N
  Si2       O4        Si4               129.4(5)      1_555  .      1_555  N
  Si3       O5        Si4              161.8(12)      1_555  .      1_555  N
  Si3       O5        Na                103.7(7)      1_555  .      1_555  N
  Si4       O5        Na                 94.5(6)      1_555  .      1_555  N
  Mg        O6        Si3             140.52(22)      4_565  .      1_555  N
  Mg        O6        Al               94.42(13)      4_565  .     -3_446  N
  Si3       O6        Al              124.44(24)      1_555  .     -3_446  N
  Si4       Na        Si4                  180.0      1_555  .      4_555  N
  Si4       Na        O3               32.89(26)      1_555  .      1_555  N
  Si4       Na        O3              147.11(26)      1_555  .      4_555  N
  Si4       Na        O5               32.93(28)      1_555  .      1_555  N
  Si4       Na        O5              147.07(28)      1_555  .      4_555  N
  Si4       Na        Ow1                   90.0      1_555  .      1_555  N
  Si4       Na        Ow1                   90.0      1_555  .      2_554  N
  Si4       Na        Ow2                  86(5)      1_555  .      1_555  N
  Si4       Na        Ow2                 86(11)      1_555  .      2_554  N
  Si4       Na        Ow2                 94(11)      1_555  .      3_554  N
  Si4       Na        Ow2                  94(5)      1_555  .      4_555  N
  Si4       Na        Ow2                  94(5)      1_555  .     -1_555  N
  Si4       Na        Ow2                 94(11)      1_555  .     -2_556  N
  Si4       Na        Ow2                 86(11)      1_555  .     -3_556  N
  Si4       Na        Ow2                  86(5)      1_555  .     -4_555  N
  Si4       Na        O3              147.11(26)      4_555  .      1_555  N
  Si4       Na        O3               32.89(26)      4_555  .      4_555  N
  Si4       Na        O5              147.07(28)      4_555  .      1_555  N
  Si4       Na        O5               32.93(28)      4_555  .      4_555  N
  Si4       Na        Ow1                   90.0      4_555  .      1_555  N
  Si4       Na        Ow1                   90.0      4_555  .      2_554  N
  Si4       Na        Ow2                  94(5)      4_555  .      1_555  N
  Si4       Na        Ow2                 94(11)      4_555  .      2_554  N
  Si4       Na        Ow2                 86(11)      4_555  .      3_554  N
  Si4       Na        Ow2                  86(5)      4_555  .      4_555  N
  Si4       Na        Ow2                  86(5)      4_555  .     -1_555  N
  Si4       Na        Ow2                 86(11)      4_555  .     -2_556  N
  Si4       Na        Ow2                 94(11)      4_555  .     -3_556  N
  Si4       Na        Ow2                  94(5)      4_555  .     -4_555  N
  O3        Na        O3                   180.0      1_555  .      4_555  N
  O3        Na        O5               65.82(15)      1_555  .      1_555  N
  O3        Na        O5              114.18(15)      1_555  .      4_555  N
  O3        Na        Ow1                   90.0      1_555  .      1_555  N
  O3        Na        Ow1                   90.0      1_555  .      2_554  N
  O3        Na        Ow2                  86(5)      1_555  .      1_555  N
  O3        Na        Ow2                 89(11)      1_555  .      2_554  N
  O3        Na        Ow2                 91(11)      1_555  .      3_554  N
  O3        Na        Ow2                  94(5)      1_555  .      4_555  N
  O3        Na        Ow2                  94(5)      1_555  .     -1_555  N
  O3        Na        Ow2                 91(11)      1_555  .     -2_556  N
  O3        Na        Ow2                 89(11)      1_555  .     -3_556  N
  O3        Na        Ow2                  86(5)      1_555  .     -4_555  N
  O3        Na        O5              114.18(15)      4_555  .      1_555  N
  O3        Na        O5               65.82(15)      4_555  .      4_555  N
  O3        Na        Ow1                   90.0      4_555  .      1_555  N
  O3        Na        Ow1                   90.0      4_555  .      2_554  N
  O3        Na        Ow2                  94(5)      4_555  .      1_555  N
  O3        Na        Ow2                 91(11)      4_555  .      2_554  N
  O3        Na        Ow2                 89(11)      4_555  .      3_554  N
  O3        Na        Ow2                  86(5)      4_555  .      4_555  N
  O3        Na        Ow2                  86(5)      4_555  .     -1_555  N
  O3        Na        Ow2                 89(11)      4_555  .     -2_556  N
  O3        Na        Ow2                 91(11)      4_555  .     -3_556  N
  O3        Na        Ow2                  94(5)      4_555  .     -4_555  N
  O5        Na        O5                179.9802      1_555  .      4_555  N
  O5        Na        Ow1                   90.0      1_555  .      1_555  N
  O5        Na        Ow1                   90.0      1_555  .      2_554  N
  O5        Na        Ow2                  88(6)      1_555  .      1_555  N
  O5        Na        Ow2                  84(9)      1_555  .      2_554  N
  O5        Na        Ow2                  96(9)      1_555  .      3_554  N
  O5        Na        Ow2                  92(6)      1_555  .      4_555  N
  O5        Na        Ow2                  92(6)      1_555  .     -1_555  N
  O5        Na        Ow2                  96(9)      1_555  .     -2_556  N
  O5        Na        Ow2                  84(9)      1_555  .     -3_556  N
  O5        Na        Ow2                  88(6)      1_555  .     -4_555  N
  O5        Na        Ow1                   90.0      4_555  .      1_555  N
  O5        Na        Ow1                   90.0      4_555  .      2_554  N
  O5        Na        Ow2                  92(6)      4_555  .      1_555  N
  O5        Na        Ow2                  96(9)      4_555  .      2_554  N
  O5        Na        Ow2                  84(9)      4_555  .      3_554  N
  O5        Na        Ow2                  88(6)      4_555  .      4_555  N
  O5        Na        Ow2                  88(6)      4_555  .     -1_555  N
  O5        Na        Ow2                  84(9)      4_555  .     -2_556  N
  O5        Na        Ow2                  96(9)      4_555  .     -3_556  N
  O5        Na        Ow2                  92(6)      4_555  .     -4_555  N
  Ow1       Na        Ow1                  180.0      1_555  .      2_554  N
  Ow1       Na        Ow2                   4(5)      1_555  .      1_555  N
  Ow1       Na        Ow2                 173(9)      1_555  .      2_554  N
  Ow1       Na        Ow2                 173(9)      1_555  .      3_554  N
  Ow1       Na        Ow2                   4(5)      1_555  .      4_555  N
  Ow1       Na        Ow2                 176(5)      1_555  .     -1_555  N
  Ow1       Na        Ow2                   7(9)      1_555  .     -2_556  N
  Ow1       Na        Ow2                   7(9)      1_555  .     -3_556  N
  Ow1       Na        Ow2                 176(5)      1_555  .     -4_555  N
  Ow1       Na        Ow2                 176(5)      2_554  .      1_555  N
  Ow1       Na        Ow2                   7(9)      2_554  .      2_554  N
  Ow1       Na        Ow2                   7(9)      2_554  .      3_554  N
  Ow1       Na        Ow2                 176(5)      2_554  .      4_555  N
  Ow1       Na        Ow2                   4(5)      2_554  .     -1_555  N
  Ow1       Na        Ow2                 173(9)      2_554  .     -2_556  N
  Ow1       Na        Ow2                 173(9)      2_554  .     -3_556  N
  Ow1       Na        Ow2                   4(5)      2_554  .     -4_555  N
  Ow2       Na        Ow2                171(15)      1_555  .      2_554  N
  Ow2       Na        Ow2                174(14)      1_555  .      3_554  N
  Ow2       Na        Ow2                  8(10)      1_555  .      4_555  N
  Ow2       Na        Ow2                179.972      1_555  .     -1_555  N
  Ow2       Na        Ow2                  9(15)      1_555  .     -2_556  N
  Ow2       Na        Ow2                  6(14)      1_555  .     -3_556  N
  Ow2       Na        Ow2                172(10)      1_555  .     -4_555  N
  Ow2       Na        Ow2                 14(17)      2_554  .      3_554  N
  Ow2       Na        Ow2                174(14)      2_554  .      4_555  N
  Ow2       Na        Ow2                  9(15)      2_554  .     -1_555  N
  Ow2       Na        Ow2                  180.0      2_554  .     -2_556  N
  Ow2       Na        Ow2                166(17)      2_554  .     -3_556  N
  Ow2       Na        Ow2                  6(14)      2_554  .     -4_555  N
  Ow2       Na        Ow2                171(15)      3_554  .      4_555  N
  Ow2       Na        Ow2                  6(14)      3_554  .     -1_555  N
  Ow2       Na        Ow2                166(17)      3_554  .     -2_556  N
  Ow2       Na        Ow2                  180.0      3_554  .     -3_556  N
  Ow2       Na        Ow2                  9(15)      3_554  .     -4_555  N
  Ow2       Na        Ow2                172(10)      4_555  .     -1_555  N
  Ow2       Na        Ow2                  6(14)      4_555  .     -2_556  N
  Ow2       Na        Ow2                  9(15)      4_555  .     -3_556  N
  Ow2       Na        Ow2                179.972      4_555  .     -4_555  N
  Ow2       Na        Ow2                171(15)     -1_555  .     -2_556  N
  Ow2       Na        Ow2                174(14)     -1_555  .     -3_556  N
  Ow2       Na        Ow2                  8(10)     -1_555  .     -4_555  N
  Ow2       Na        Ow2                 14(17)     -2_556  .     -3_556  N
  Ow2       Na        Ow2                174(14)     -2_556  .     -4_555  N
  Ow2       Na        Ow2                171(15)     -3_556  .     -4_555  N
  Na        Ow1       Na                   180.0      1_555  .      2_555  N
  Na        Ow1       Ow2                162(22)      1_555  .      1_555  N
  Na        Ow1       Ow2                162(22)      1_555  .      4_555  N
  Na        Ow1       Ow2                 18(22)      1_555  .     -2_556  N
  Na        Ow1       Ow2                 18(22)      1_555  .     -3_556  N
  Na        Ow1       Ow2                 18(22)      2_555  .      1_555  N
  Na        Ow1       Ow2                 18(22)      2_555  .      4_555  N
  Na        Ow1       Ow2                162(22)      2_555  .     -2_556  N
  Na        Ow1       Ow2                162(22)      2_555  .     -3_556  N
  Ow2       Ow1       Ow2                 36(44)      1_555  .      4_555  N
  Ow2       Ow1       Ow2                160(52)      1_555  .     -2_556  N
  Ow2       Ow1       Ow2                150(51)      1_555  .     -3_556  N
  Ow2       Ow1       Ow2                150(51)      4_555  .     -2_556  N
  Ow2       Ow1       Ow2                160(52)      4_555  .     -3_556  N
  Ow2       Ow1       Ow2                 36(44)     -2_556  .     -3_556  N
  Na        Ow2       Na                 169(14)      1_555  .      2_555  N
  Na        Ow2       Ow1                 14(17)      1_555  .      1_555  N
  Na        Ow2       Ow2                  86(5)      1_555  .      4_555  N
  Na        Ow2       Ow2                 12(19)      1_555  .     -2_556  N
  Na        Ow2       Ow2                  9(19)      1_555  .     -3_556  N
  Na        Ow2       Ow3                169(14)      1_555  .      2_555  N
  Na        Ow2       Ow1                155(31)      2_555  .      1_555  N
  Na        Ow2       Ow2                  83(9)      2_555  .      4_555  N
  Na        Ow2       Ow2                159(35)      2_555  .     -2_556  N
  Na        Ow2       Ow2                165(33)      2_555  .     -3_556  N
  Na        Ow2       Ow3                    0.0      2_555  .      2_555  N
  Ow1       Ow2       Ow2                 72(22)      1_555  .      4_555  N
  Ow1       Ow2       Ow2                 10(26)      1_555  .     -2_556  N
  Ow1       Ow2       Ow2                 15(26)      1_555  .     -3_556  N
  Ow1       Ow2       Ow3                155(31)      1_555  .      2_555  N
  Ow2       Ow2       Ow2                 78(32)      4_555  .     -2_556  N
  Ow2       Ow2       Ow2                 84(27)      4_555  .     -3_556  N
  Ow2       Ow2       Ow3                  83(9)      4_555  .      2_555  N
  Ow2       Ow2       Ow2                 18(23)     -2_556  .     -3_556  N
  Ow2       Ow2       Ow3                159(35)     -2_556  .      2_555  N
  Ow2       Ow2       Ow3                165(33)     -3_556  .      2_555  N
  Ow2       Ow3       Ow2                 14(17)      2_554  .      3_554  N
  Ow2       Ow3       Ow2                  180.0      2_554  .     -2_556  N
  Ow2       Ow3       Ow2                166(17)      2_554  .     -3_556  N
  Ow2       Ow3       Ow2                166(17)      3_554  .     -2_556  N
  Ow2       Ow3       Ow2                  180.0      3_554  .     -3_556  N
  Ow2       Ow3       Ow2                 14(17)     -2_556  .     -3_556  N

# Powder diffraction data for histogram  1
#==============================================================================
# 9. INSTRUMENT CHARACTERIZATION

_exptl_special_details
; ?
;

# if regions of the data are excluded, the reason(s) are supplied here:
_pd_proc_info_excluded_regions
; ?
;

# The following item is used to identify the equipment used to record
# the powder pattern when the diffractogram was measured at a laboratory
# other than the authors' home institution, e.g. when neutron or synchrotron
# radiation is used.

_pd_instr_location
; ?
;
_pd_calibration_special_details           # description of the method used
                                          # to calibrate the instrument
; ?
;

_diffrn_ambient_temperature       ?
_diffrn_source                    ?
_diffrn_source_target             ?
_diffrn_source_type               ?
_diffrn_measurement_device_type   ?
_diffrn_detector                  ?
_diffrn_detector_type             ?       # make or model of detector

_pd_meas_scan_method              ?       # options are 'step', 'cont',
                                          # 'tof', 'fixed' or
                                          # 'disp' (= dispersive)
_pd_meas_special_details
;  ?
;

# The following two items identify the program(s) used (if appropriate).
_computing_data_collection        ?
_computing_data_reduction         ?

# Describe any processing performed on the data, prior to refinement.
# For example: a manual Lp correction or a precomputed absorption correction
_pd_proc_info_data_reduction      ?

# The following item is used for angular dispersive measurements only.

_diffrn_radiation_monochromator   ?

# The following items are used to define the size of the instrument.
# Not all distances are appropriate for all instrument types.

_pd_instr_dist_src/mono           ?
_pd_instr_dist_mono/spec          ?
_pd_instr_dist_src/spec           ?
_pd_instr_dist_spec/anal          ?
_pd_instr_dist_anal/detc          ?
_pd_instr_dist_spec/detc          ?

# 10. Specimen size and mounting information

# The next three fields give the specimen dimensions in mm.  The equatorial
# plane contains the incident and diffracted beam.

_pd_spec_size_axial               ?       # perpendicular to
                                          # equatorial plane

_pd_spec_size_equat               ?       # parallel to
                                          # scattering vector
                                          # in transmission

_pd_spec_size_thick               ?       # parallel to
                                          # scattering vector
                                          # in reflection

_pd_spec_mounting                         # This field should be
                                          # used to give details of the
                                          # container.
; ?
;

_pd_spec_mount_mode               ?       # options are 'reflection'
                                          # or 'transmission'

_pd_spec_shape                    ?       # options are 'cylinder'
                                          # 'flat_sheet' or 'irregular'


loop_ _atom_type_symbol
      _atom_type_number_in_cell
      _atom_type_scat_dispersion_real
      _atom_type_scat_dispersion_imag
      _atom_type_scat_Cromer_Mann_a1
      _atom_type_scat_Cromer_Mann_a2
      _atom_type_scat_Cromer_Mann_a3
      _atom_type_scat_Cromer_Mann_a4
      _atom_type_scat_Cromer_Mann_b1
      _atom_type_scat_Cromer_Mann_b2
      _atom_type_scat_Cromer_Mann_b3
      _atom_type_scat_Cromer_Mann_b4
      _atom_type_scat_Cromer_Mann_c
      _atom_type_scat_source
  Mg         8.0    0.000    0.000
 5.42040 2.82750 2.17350 79.2611 1.22690 0.38080 2.30730 7.19370 0.85840 
  International_Tables_Vol_C
  Si        28.0    0.000    0.000
 6.29150 2.43860 3.03530 32.3337 1.98910 0.67850 1.54100 81.6937 1.14070 
  International_Tables_Vol_C
  Al         8.0    0.000    0.000
 6.42020 3.03870 1.90020 0.74260 1.59360 31.5472 1.96460 85.0886 1.11510 
  International_Tables_Vol_C
  O         72.0    0.000    0.000
 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 
  International_Tables_Vol_C
  Na         0.308    0.000    0.000
 4.76260 3.28500 3.17360 8.84220 1.26740 0.31360 1.11280 129.424 0.67600 
  International_Tables_Vol_C
  F          2.753    0.000    0.000
 3.53920 10.2825 2.64120 4.29440 1.51700 0.26150 1.02430 26.1476 0.27760 
  International_Tables_Vol_C
_diffrn_radiation_probe                x-ray
_diffrn_radiation_polarisn_ratio       0.95
_diffrn_radiation_wavelength           0.3685
_diffrn_radiation_type                 ?
_pd_proc_ls_prof_R_factor              0.0038
_pd_proc_ls_prof_wR_factor             0.0052
_pd_proc_ls_prof_wR_expected           0.0266
_refine_ls_R_Fsqd_factor               0.15003

_pd_proc_ls_background_function
;   GSAS Background function number 1 with 33 terms.
 Shifted Chebyshev function of 1st kind
      1:    1389.68     2:   -448.130     3:   -23.8482     4:   -99.5882    
      5:    123.360     6:   -50.8194     7:   -7.25853     8:    25.3504    
      9:   -24.5777    10:    18.4515    11:   -16.9407    12:    14.4999    
     13:   -10.8426    14:    6.56314    15:  -0.409969    16:    2.86875    
     17:   -4.49319    18:    3.18938    19:   -2.20549    20:    1.61036    
     21:   -3.64064    22:    3.70086    23:   -2.61312    24:    2.15655    
     25:   -1.04343    26:    1.20995    27:  -0.811404    28:    2.08958    
     29:   -1.44294    30:    1.15345    31:  -0.748850    32:   0.192945    
     33:   -1.43374    
;

_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min        1.00000
_exptl_absorpt_correction_T_max        1.00000
# Extinction correction
_gsas_exptl_extinct_corr_T_min         1.00000
_gsas_exptl_extinct_corr_T_max         1.00000
_pd_proc_ls_pref_orient_corr
;   March-Dollase
 AXIS  1 Ratio=     1.000 Frac     0.110  h= 0.000  k= 1.000  l= 0.000
 AXIS  2 Ratio=     1.080 Frac     0.351  h= 1.000  k= 0.000  l= 0.000
 AXIS  3 Ratio=     0.994 Frac     0.539  h= 0.000  k= 0.000  l= 1.000
 Prefered orientation correction range: Min=   0.92266, Max=   1.05249
;

_pd_proc_ls_profile_function
;
 CW Profile function number 2 with  18 terms
 Profile coefficients for Simpson's rule integration of pseudovoigt function
 C.J. Howard (1982). J. Appl. Cryst.,15,615-620.
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 #1(GU)   =    0.000 #2(GV)   =   56.700 #3(GW)   =    3.700
 #4(LX)   =    0.000 #5(LY)   =   45.000 #6(trns) =  -18.600
 #7(asym) =   0.1040 #8(shft) =   0.5450 #9(GP)   =    0.000
 #10(stec)=     0.00 #11(ptec)=     0.00 #12(sfec)=     0.00
 #13(L11) =    0.000 #14(L22) =    0.000 #15(L33) =    0.000
 #16(L12) =    0.000 #17(L13) =    0.000 #18(L23) =    0.000
 Peak tails are ignored  where the intensity is below 0.0100 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_peak_cutoff 0.01000
_pd_proc_info_datetime                 2012-03-28T14:20:50
_pd_calc_method                        "Rietveld Refinement"

#---- raw/calc data loop -----
_pd_meas_2theta_range_min              0.021
_pd_meas_2theta_range_max              34.4532
_pd_meas_2theta_range_inc              0.0141
_pd_proc_2theta_range_min              0.021
_pd_proc_2theta_range_max              34.4532
_pd_proc_2theta_range_inc              0.0141

loop_
      _pd_meas_counts_total
      _pd_proc_ls_weight
      _pd_proc_intensity_bkg_calc
      _pd_calc_intensity_total
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
   0.0     .            .            .
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  1961.0    0.000510    1926.23047   1944.42200
  1995.0    0.000501    1953.53308   1985.49390
  2040.0    0.000490    1975.76929   2046.04480
  2145.0    0.000466    1993.70032   2157.94067
  2359.0    0.000424    2007.98950   2356.55103
  2653.0    0.000377    2019.21106   2641.22754
  2947.0    0.0003393   2027.86096   2932.48828
  3096.0    0.0003230   2034.36572   3088.19678
  2999.0    0.0003334   2039.09204   3010.15625
  2727.0    0.000367    2042.35120   2732.85547
  2449.0    0.000408    2044.40869   2425.81348
  2250.0    0.000444    2045.48743   2215.21997
  2139.0    0.000468    2045.77612   2113.22534
  2087.0    0.000479    2045.43103   2075.32520
  2066.0    0.000484    2044.58032   2062.21777
  2057.0    0.000486    2043.33191   2056.13599
  2049.0    0.000488    2041.77039   2051.84546
  2045.0    0.000489    2039.96484   2045.96204
  2028.0    0.000493    2037.97021   2042.91125
  2020.0    0.000495    2035.82874   2035.83398
  2019.0    0.000495    2033.57275   2033.58923
  2020.0    0.000495    2031.22522   2031.25098
  2024.0    0.000494    2028.80310   2028.83545
  2021.0    0.000495    2026.31750   2026.35522
  2019.0    0.000495    2023.77429   2023.81506
  2019.0    0.000495    2021.17712   2021.21948
  2019.0    0.000495    2018.52576   2018.56860
  2019.0    0.000495    2015.81885   2015.86084
  2015.0    0.000496    2013.05334   2013.09326
  2015.0    0.000496    2010.22473   2010.26160
  2012.0    0.000497    2007.32886   2007.36243
  2015.0    0.000496    2004.36060   2004.39014
  2013.0    0.000497    2001.31592   2001.34070
  2002.0    0.000500    1998.18994   1998.21094
  1995.0    0.000501    1994.97888   1994.99524
  1992.0    0.000502    1991.67969   1991.69165
  1985.0    0.000504    1988.28955   1988.29663
  1983.0    0.000504    1984.80566   1984.80957
  1980.0    0.000505    1981.22852   1981.22803
  1975.0    0.000506    1977.55591   1977.55273
  1967.0    0.000508    1973.78931   1973.78235
  1971.0    0.000507    1969.92871   1969.91931
  1968.0    0.000508    1965.97559   1965.96436
  1952.0    0.000512    1961.93262   1961.91992
  1949.0    0.000513    1957.80127   1957.78772
  1952.0    0.000512    1953.58618   1953.57178
  1950.0    0.000513    1949.28955   1949.27551
  1945.0    0.000514    1944.91650   1944.90271
  1947.0    0.000514    1940.46997   1940.45715
  1938.0    0.000516    1935.95496   1935.94348
  1935.0    0.000517    1931.37622   1931.36633
  1937.0    0.000516    1926.73853   1926.73059
  1929.0    0.000518    1922.04626   1922.04041
  1915.0    0.000522    1917.30444   1917.30090
  1910.0    0.000524    1912.51831   1912.51770
  1912.0    0.000523    1907.69226   1907.69434
  1910.0    0.000524    1902.83081   1902.83630
  1908.0    0.000524    1897.93933   1897.94849
  1904.0    0.000525    1893.02209   1893.03394
  1889.0    0.000529    1888.08301   1888.09802
  1886.0    0.000530    1883.12634   1883.16248
  1877.0    0.000533    1878.15576   1878.19897
  1871.0    0.000534    1873.17590   1873.22668
  1862.0    0.000537    1868.18945   1868.25012
  1852.0    0.000540    1863.19983   1863.27539
  1846.0    0.000542    1858.20984   1858.31396
  1845.0    0.000542    1853.22314   1853.40039
  1849.0    0.000541    1848.24194   1848.60474
  1847.0    0.000541    1843.26721   1844.01819
  1843.0    0.000543    1838.30298   1839.65564
  1838.0    0.000544    1833.35034   1835.32031
  1829.0    0.000547    1828.41113   1830.62671
  1820.0    0.000549    1823.48633   1825.36548
  1812.0    0.000552    1818.57837   1819.81213
  1808.0    0.000553    1813.68677   1814.34937
  1803.0    0.000555    1808.81421   1809.13379
  1798.0    0.000556    1803.96033   1804.12671
  1797.0    0.000556    1799.12622   1799.23572
  1800.0    0.000556    1794.31299   1794.40076
  1796.0    0.000557    1789.52039   1789.59766
  1784.0    0.000561    1784.74890   1784.81897
  1776.0    0.000563    1779.99841   1780.06238
  1771.0    0.000565    1775.27014   1775.31226
  1769.0    0.000565    1770.56384   1770.60364
  1766.0    0.000566    1765.87927   1765.91736
  1756.0    0.000569    1761.21704   1761.25269
  1750.0    0.000571    1756.57617   1756.60962
  1750.0    0.000571    1751.95764   1751.98877
  1746.0    0.000573    1747.36108   1747.38953
  1747.0    0.000572    1742.78687   1742.81287
  1742.0    0.000574    1738.23499   1738.25769
  1733.0    0.000577    1733.70532   1733.72510
  1725.0    0.000580    1729.19714   1729.21423
  1717.0    0.000582    1724.71191   1724.72522
  1718.0    0.000582    1720.24939   1720.25952
  1717.0    0.000582    1715.80920   1715.81641
  1713.0    0.000584    1711.39197   1711.39514
  1708.0    0.000585    1706.99744   1706.99792
  1710.0    0.000585    1702.62695   1702.62427
  1712.0    0.000584    1698.27942   1698.27344
  1706.0    0.000586    1693.95691   1693.94702
  1701.0    0.000588    1689.65894   1689.64587
  1691.0    0.000591    1685.38477   1685.36951
  1680.0    0.000595    1681.13757   1681.11914
  1676.0    0.000597    1676.91577   1676.89404
  1670.0    0.000599    1672.72131   1672.69678
  1666.0    0.000600    1668.55383   1668.52673
  1660.0    0.000602    1664.41492   1664.38513
  1658.0    0.000603    1660.30457   1660.27222
  1654.0    0.000605    1656.22388   1656.18958
  1646.0    0.000608    1652.17383   1652.13721
  1646.0    0.000608    1648.15515   1648.11621
  1645.0    0.000608    1644.16846   1644.12769
  1641.0    0.000609    1640.21472   1640.17249
  1641.0    0.000609    1636.29565   1636.25073
  1634.0    0.000612    1632.41052   1632.36462
  1633.0    0.000612    1628.56152   1628.51416
  1629.0    0.000614    1624.74915   1624.70068
  1623.0    0.000616    1620.97424   1620.92517
  1623.0    0.000616    1617.23779   1617.59888
  1623.0    0.000616    1613.54102   1613.94983
  1616.0    0.000619    1609.88342   1610.35071
  1612.0    0.000620    1606.26807   1607.03918
  1612.0    0.000620    1602.69409   1603.57800
  1612.0    0.000620    1599.16284   1600.18396
  1611.0    0.000621    1595.67603   1596.86682
  1603.0    0.000624    1592.23254   1593.63696
  1597.0    0.000626    1588.83484   1590.51270
  1596.0    0.000627    1585.48181   1587.52112
  1590.0    0.000629    1582.17615   1584.72095
  1590.0    0.000629    1578.91772   1582.28088
  1589.0    0.000629    1575.70605   1580.74329
  1588.0    0.000630    1572.54370   1581.59094
  1589.0    0.000629    1569.42896   1587.78052
  1598.0    0.000626    1566.36426   1602.94482
  1617.0    0.000618    1563.34863   1628.02747
  1636.0    0.000611    1560.38257   1656.98218
  1645.0    0.000608    1557.46692   1676.79272
  1640.0    0.000610    1554.60156   1676.74841
  1634.0    0.000612    1551.78674   1662.42871
  1615.0    0.000619    1549.02295   1640.97217
  1597.0    0.000626    1546.30945   1614.40186
  1577.0    0.000634    1543.64746   1587.69775
  1559.0    0.000641    1541.03528   1566.40417
  1548.0    0.000646    1538.47522   1552.27173
  1542.0    0.000649    1535.96448   1543.96875
  1540.0    0.000649    1533.50537   1539.12451
  1538.0    0.000650    1531.09534   1535.95447
  1537.0    0.000651    1528.73596   1533.72058
  1536.0    0.000651    1526.42603   1532.66113
  1543.0    0.000648    1524.16553   1534.16077
  1547.0    0.000646    1521.95410   1540.89917
  1557.0    0.000642    1519.79102   1555.64294
  1565.0    0.000639    1517.67578   1577.78198
  1574.0    0.000635    1515.60767   1599.57446
  1568.0    0.000638    1513.58752   1606.60583
  1558.0    0.000642    1511.61292   1592.06372
  1547.0    0.000646    1509.68420   1565.15967
  1537.0    0.000651    1507.80090   1539.35474
  1532.0    0.000653    1505.96130   1521.70593
  1523.0    0.000657    1504.16589   1511.73645
  1519.0    0.000658    1502.41345   1506.46790
  1516.0    0.000660    1500.70325   1503.32629
  1519.0    0.000658    1499.03455   1500.98865
  1518.0    0.000659    1497.40649   1498.96338
  1509.0    0.000663    1495.81836   1497.16675
  1506.0    0.000664    1494.26941   1495.41870
  1505.0    0.000664    1492.75830   1493.75818
  1506.0    0.000664    1491.28491   1492.17114
  1503.0    0.000665    1489.84766   1490.66223
  1503.0    0.000665    1488.44690   1489.20044
  1501.0    0.000666    1487.08044   1487.79602
  1500.0    0.000667    1485.74854   1486.45178
  1495.0    0.000669    1484.44922   1484.77222
  1491.0    0.000671    1483.18311   1483.63318
  1490.0    0.000671    1481.94763   1482.59534
  1487.0    0.000672    1480.74329   1481.65356
  1484.0    0.000674    1479.56873   1480.78955
  1484.0    0.000674    1478.42322   1480.05859
  1486.0    0.000673    1477.30615   1479.75964
  1486.0    0.000673    1476.21619   1480.42444
  1485.0    0.000673    1475.15308   1482.41528
  1488.0    0.000672    1474.11572   1485.62305
  1483.0    0.000674    1473.10388   1489.68152
  1478.0    0.000677    1472.11560   1489.69727
  1477.0    0.000677    1471.15186   1486.88049
  1478.0    0.000677    1470.21033   1483.00696
  1477.0    0.000677    1469.29150   1479.49817
  1474.0    0.000678    1468.39441   1476.74353
  1473.0    0.000679    1467.51843   1474.77356
  1475.0    0.000678    1466.66199   1473.56812
  1476.0    0.000678    1465.82568   1473.08325
  1477.0    0.000677    1465.00867   1473.32776
  1484.0    0.000674    1464.20996   1474.54810
  1487.0    0.000672    1463.42981   1477.76929
  1487.0    0.000672    1462.66687   1486.00134
  1503.0    0.000665    1461.92029   1505.83813
  1534.0    0.000652    1461.19055   1547.25159
  1604.0    0.000623    1460.47705   1617.75330
  1712.0    0.000584    1459.77917   1710.50500
  1811.0    0.000552    1459.09656   1794.06274
  1833.0    0.000546    1458.42847   1820.17310
  1761.0    0.000568    1457.77490   1768.13232
  1661.0    0.000602    1457.13538   1674.23083
  1580.0    0.000633    1456.50989   1585.14465
  1527.0    0.000655    1455.89734   1523.46338
  1494.0    0.000669    1455.29834   1489.48364
  1472.0    0.000679    1454.71179   1473.50647
  1462.0    0.000684    1454.13782   1466.28235
  1458.0    0.000686    1453.57642   1462.55701
  1453.0    0.000688    1453.02698   1460.15686
  1451.0    0.000689    1452.48950   1458.34216
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_pd_meas_number_of_points              2443
_pd_proc_number_of_points              2443

loop_
      _refln_index_h
      _refln_index_k
      _refln_index_l
      _refln_observed_status
      _refln_F_squared_meas
      _refln_F_squared_calc
      _refln_phase_calc
      _refln_d_spacing
      _gsas_i100_meas
   2   0   0 o  24613.834  24285.010  180.00   8.47218  50.83
   1   1   0 o  22700.207  22204.551  180.00   8.38923 100.00
   1   1   1 o   0.000     59.459      0.00    6.20378   0.00
   3   1   0 o  9796.585   10329.796  180.00   4.87529  13.75
   0   2   0 o  9042.870   10913.813  180.00   4.82787   6.83
   0   0   2 o  21754.986  19708.225   0.00    4.60793  15.17
   3   1   1 o  262.166    41.651      0.00    4.30944   0.59
   4   0   0 o  5504.189   4343.729    0.00    4.23609   2.84
   2   2   0 o  362.561    372.267     0.00    4.19461   0.40
   2   0   2 o  7771.091   7970.466    0.00    4.04794   8.08
   1   1   2 o  22303.027  23052.313   0.00    4.03879  47.25
   2   2   1 o   0.000      7.971      0.00    3.81776   0.00
   3   1   2 o  35371.52   32658.902  180.00   3.34883  49.38
   0   2   2 o  48984.62   44919.34   180.00   3.33334  35.53
   5   1   0 o  3467.081   2822.226    0.00    3.19765   2.06
   4   2   0 o  5152.585   4561.194    0.00    3.18415   3.15
   1   3   0 o  238.377    220.286     0.00    3.16204   0.15
   4   0   2 o  30410.018  32831.969  180.00   3.11855  17.98
   2   2   2 o  46626.02   50830.45   180.00   3.10189  57.41
   5   1   1 o  35090.77   36396.77   180.00   3.02097  37.70
   4   2   1 o  29867.693  30483.127   0.00    3.00958  32.87
   1   3   1 o  32837.973  32437.914  180.00   2.99089  37.97
   1   1   3 o  856.733    61.208      0.00    2.88464   0.93
   6   0   0 o  23069.324  5424.034    0.00    2.82406   5.30
   3   3   0 o  4412.448   2027.749    0.00    2.79641   2.16
   3   3   1 o   0.000     36.893      0.00    2.67593   0.00
   5   1   2 o  11962.805  16398.988   0.00    2.62707   9.96
   4   2   2 o  12840.121  15491.262   0.00    2.61957  10.90
   1   3   2 o  6602.147   7537.959    0.00    2.60721   5.83
   3   1   3 o   7.018      7.435     180.00   2.59903   0.01
   2   2   3 o   1.226      0.128      0.00    2.47839   0.00
   6   2   0 o  17816.893  10515.058   0.00    2.43765   6.26
   0   4   0 o  19358.467  18178.471   0.00    2.41393   3.66
   6   0   2 o  5083.491   5489.022    0.00    2.40783   1.75
   3   3   2 o  1876.534   3382.708    0.00    2.39063   1.36
   2   0   4 o  396.379    340.665     0.00    2.22322   0.13
   1   1   4 o  657.777    561.468     0.00    2.22170   0.43
   5   1   3 o  3834.581   3148.845    0.00    2.21530   2.32
   4   2   3 o  2956.078   2300.444   180.00   2.21080   1.82
   1   3   3 o  2806.502   1929.320    0.00    2.20336   1.78
   6   2   2 o  12286.691  12703.628  180.00   2.15472   6.89
   0   4   2 o  4663.537   6286.967   180.00   2.13829   1.39
   8   0   0 o  237.466    1234.356   180.00   2.11805   0.03
   4   4   0 o  437.840    644.827    180.00   2.09731   0.12
   7   1   2 o  3078.306   3811.703    0.00    2.09203   1.60
   3   1   4 o  7396.505   7767.319   180.00   2.08307   4.13
   5   3   2 o  6923.844   7156.448    0.00    2.08197   3.71
   0   2   4 o  8170.814   8177.986   180.00   2.07933   2.32
   2   4   2 o  12353.934  11735.794   0.00    2.07327   6.85
   3   3   3 o  28.405     26.187      0.00    2.06793   0.02
   4   4   1 o  1856.309   1029.385   180.00   2.04502   0.98
   4   0   4 o  3320.453   1374.639   180.00   2.02397   0.86
   2   2   4 o  4464.309   1914.877   180.00   2.01940   2.37
   8   2   0 o  2377.921   6844.065   180.00   1.93960   0.52
   7   3   0 o  7595.651   13898.208  180.00   1.93457   1.70
   8   0   2 o  11366.968  18272.648  180.00   1.92448   2.48
   1   5   0 o  3586.911   5775.231   180.00   1.91873   0.86
   6   2   3 o  49.610     70.138     180.00   1.90951   0.02
   4   4   2 o  6345.221   8841.604   180.00   1.90888   2.93
   8   2   1 o  3289.987   3023.657    0.00    1.89802   1.40
   7   3   1 o  331.990    244.071    180.00   1.89330   0.14
   1   5   1 o  1147.958   577.375     0.00    1.87845   0.53
   5   1   4 o   4.619      3.084      0.00    1.86929   0.00
   4   2   4 o  2436.957   1776.589   180.00   1.86658   1.08
   7   1   3 o  12871.510  9686.270   180.00   1.86547   5.42
   1   3   4 o  5151.476   4187.829   180.00   1.86209   2.34
   5   3   3 o  17731.963  15332.426   0.00    1.85832   7.67
   2   4   3 o  18357.611  17071.570  180.00   1.85213   8.16
   9   1   0 o  15330.034  14763.958   0.00    1.84791   3.03
   6   4   0 o  14299.546  12783.527   0.00    1.83494   2.96
   3   5   0 o  15510.914  14314.202   0.00    1.82729   3.31
   9   1   1 o  1896.145   2798.301    0.00    1.81184   0.72
   1   1   5 o  39.092     60.944     180.00   1.80023   0.02
   6   4   1 o  6529.244   10062.249  180.00   1.79962   2.60
   3   5   1 o  6300.314   8045.629    0.00    1.79240   2.59
   8   2   2 o  258.268    291.467    180.00   1.78768   0.10
   6   0   4 o  19025.756  20230.883   0.00    1.78522   3.76
   7   3   2 o  42.015     43.190     180.00   1.78374   0.02
   3   3   4 o  22808.680  21338.418   0.00    1.77818   9.31
   1   5   2 o  13.129     11.792      0.00    1.77130   0.01
   4   4   3 o  1912.498   632.259    180.00   1.73212   0.73
   3   1   5 o  37.991     15.559     180.00   1.72407   0.01
   9   1   2 o  3575.076   2173.090   180.00   1.71513   1.24
   6   4   2 o  3525.214   2783.832   180.00   1.70475   1.27
   3   5   2 o  2676.019   2309.813   180.00   1.69861   0.99
  10   0   0 o  73333.95   68026.47   180.00   1.69444   6.08
   2   2   5 o  271.171    288.202     0.00    1.68745   0.10
   5   5   0 o  39473.48   41987.09   180.00   1.67785   6.98
   6   2   4 o  58707.59   60414.63    0.00    1.67442  20.55
   0   4   4 o  69227.05   73804.84    0.00    1.66667  12.59
   5   5   1 o  52.613     159.495    180.00   1.65071   0.02
   7   1   4 o  3472.538   7227.794   180.00   1.64449   1.16
   8   2   3 o  5444.967   8835.267    0.00    1.64005   1.77
   5   3   4 o  1395.761   2214.283   180.00   1.63958   0.48
   7   3   3 o  1191.168   1675.037   180.00   1.63700   0.39
   2   4   4 o  731.020    951.484    180.00   1.63533   0.25
   1   5   3 o  6682.536   5949.445    0.00    1.62737   2.31
   9   3   0 o  13407.135  10975.100  180.00   1.62510   2.10
   0   6   0 o  24280.918  20041.111  180.00   1.60929   2.04
   9   3   1 o  467.343    461.916    180.00   1.60041   0.14
  10   2   0 o  28575.686  28437.834   0.00    1.59882   4.26
   5   1   5 o  3838.350   3788.207   180.00   1.59688   1.25
   4   2   5 o  3859.191   3745.335    0.00    1.59519   1.26
   1   3   5 o  2637.934   2476.491   180.00   1.59239   0.88
   8   4   0 o  18548.760  17355.826   0.00    1.59208   2.84
  10   0   2 o  214.611    197.773     0.00    1.59032   0.03
   9   1   3 o  10872.037  9905.144    0.00    1.58349   3.26
   2   6   0 o  20218.369  18416.420   0.00    1.58102   3.27
   5   5   2 o  601.780    541.876    180.00   1.57658   0.19
   6   4   3 o  24307.535  21791.592  180.00   1.57531   7.54
  10   2   1 o  478.254    428.729    180.00   1.57529   0.14
   3   5   3 o  12282.889  10938.280   0.00    1.57046   3.91
   8   4   1 o  152.283    136.497     0.00    1.56884   0.05
   8   0   4 o  1216.223   1253.363    0.00    1.55928   0.18
   2   6   1 o  26.107     27.289      0.00    1.55826   0.01
   4   4   4 o  2447.572   3068.708    0.00    1.55095   0.76
   3   3   5 o  224.881    287.097    180.00   1.53895   0.07
  11   1   0 o  224.277    173.694     0.00    1.52116   0.03
   0   0   6 o  52550.80   59565.45    0.00    1.53598   4.09
   0   6   2 o  16413.336  12477.332  180.00   1.51930   2.47
   9   3   2 o  6494.206   6663.019   180.00   1.53258   1.83
   2   0   6 o  1711.161   1360.912    0.00    1.51134   0.26
   1   1   6 o  1716.232   1366.623    0.00    1.51086   0.52
  10   2   2 o  10132.558  8070.001    0.00    1.51048   2.73
   7   5   0 o  687.552    547.089    180.00   1.50960   0.10
   8   4   2 o  62.444     49.370     180.00   1.50479   0.02
   4   6   0 o  7179.074   5685.753   180.00   1.50439   1.04
  11   1   1 o  455.310    382.326    180.00   1.50085   0.12
   2   6   2 o  525.940    546.360     0.00    1.49544   0.15
   7   5   1 o  14.340     16.161     180.00   1.48974   0.00
   4   6   1 o  2984.791   3165.018    0.00    1.48474   0.84
   8   2   4 o  12240.443  12843.241  180.00   1.48381   3.31
   7   3   4 o  18366.447  19027.104  180.00   1.48155   5.02
   1   5   4 o  10142.818  11579.155  180.00   1.47440   2.88
   5   5   3 o   6.847      8.093     180.00   1.47252   0.00
   6   2   5 o  247.552    299.230     0.00    1.47020   0.07
   3   1   6 o  10611.943  12438.363  180.00   1.46499   2.97
   0   2   6 o  10404.312  12270.503  180.00   1.46369   1.47
   7   1   5 o  703.350    1250.087   180.00   1.44982   0.18
   5   3   5 o  1036.565   1548.687    0.00    1.44645   0.28
  11   1   2 o  7820.434   10643.425   0.00    1.44449   1.91
   4   0   6 o  5457.783   7274.958   180.00   1.44398   0.74
   2   4   5 o  1873.247   2453.683   180.00   1.44353   0.51
   2   2   6 o  10933.547  13717.840  180.00   1.44232   2.98
   9   1   4 o  563.743    689.915    180.00   1.44153   0.14
   9   3   3 o  28.702     31.216      0.00    1.43648   0.01
   6   4   4 o  631.806    674.609    180.00   1.43535   0.16
   7   5   2 o  26448.967  27951.313   0.00    1.43458   6.76
   3   5   4 o  1155.568   1197.444   180.00   1.43168   0.31
   4   6   2 o  10063.817  10491.029   0.00    1.43010   2.64
  10   2   3 o   1.439      1.594     180.00   1.41824   0.00
   8   4   3 o  2754.303   2549.896   180.00   1.41352   0.68
  12   0   0 o  14267.875  12534.042   0.00    1.41203   0.82
   2   6   3 o  3945.015   3056.551    0.00    1.40577   1.01
   6   6   0 o  32857.234  25567.125   0.00    1.39820   4.04
  11   3   0 o  330.380    317.546    180.00   1.38946   0.04
  10   4   0 o  6293.112   6181.437   180.00   1.38687   0.72
   5   1   6 o  13536.519  13059.283   0.00    1.38453   3.34
   4   4   5 o   9.977      9.621     180.00   1.38450   0.00
   4   2   6 o  15364.800  14592.576   0.00    1.38343   3.81
   6   6   1 o  739.617    691.304     0.00    1.38238   0.18
   1   3   6 o  10136.251  9367.366    0.00    1.38160   2.54
   1   7   0 o  2359.954   2117.438   180.00   1.37484   0.29
  11   3   1 o  77.904     70.292      0.00    1.37394   0.02
  10   4   1 o  1541.138   1415.330   180.00   1.37143   0.35
  10   0   4 o  2679.397   2622.795   180.00   1.36503   0.30
  11   1   3 o  2712.104   2790.299   180.00   1.36319   0.60
   1   7   1 o  20.235     22.498     180.00   1.35979   0.00
   5   5   4 o  5938.603   6472.201   180.00   1.35631   1.40
  12   2   0 o  12228.562  13009.062   0.00    1.35525   1.31
   7   5   3 o  536.511    564.673     0.00    1.35485   0.12
   4   6   3 o  365.397    350.046     0.00    1.35108   0.09
  12   0   2 o  77409.84   73038.13   180.00   1.35007   8.24
   6   0   6 o  18.303     17.152      0.00    1.34931   0.00
   9   5   0 o  12429.399  11594.752   0.00    1.34807   1.38
   3   3   6 o  72.026     67.308      0.00    1.34626   0.02
  12   2   1 o  9447.299   8451.145   180.00   1.34083   1.99
   3   7   0 o  19069.984  16901.277   0.00    1.34001   2.21
   6   6   2 o  65562.02   57755.86   180.00   1.33797  14.83
   8   2   5 o  4308.776   3890.928    0.00    1.33611   0.96
   7   3   5 o  1133.744   1074.523   180.00   1.33446   0.25
   9   5   1 o  12774.979  12380.740   0.00    1.33388   2.77
  11   3   2 o  175.461    201.134     0.00    1.33030   0.04
   1   5   5 o  1020.834   1225.980    0.00    1.32923   0.24
  10   4   2 o  764.129    958.462    180.00   1.32802   0.16
   9   3   4 o   0.877      1.102     180.00   1.32799   0.00
   3   7   1 o  10521.412  13937.532  180.00   1.32606   2.39
   0   6   4 o  536.091    893.038    180.00   1.31932   0.06
   1   7   2 o   1.638      2.826      0.00    1.31745   0.00
  10   2   4 o  20036.914  32615.006   0.00    1.31353   4.19
   8   4   4 o  12366.789  18224.480   0.00    1.30978   2.64
   9   1   5 o  3420.243   4594.109    0.00    1.30499   0.72
   2   6   4 o  14269.581  18546.627   0.00    1.30361   3.16
   1   1   7 o  87.542     104.539     0.00    1.30063   0.02
   6   4   5 o  7795.208   9242.719   180.00   1.30040   1.68
  12   2   2 o  5313.707   6259.137    0.00    1.30019   1.06
   6   2   6 o  18250.480  21058.205  180.00   1.29951   3.94
   3   5   5 o  5867.490   6400.060    0.00    1.29767   1.29
   0   4   6 o  15038.556  15580.859  180.00   1.29588   1.66
   9   5   2 o  5308.973   5217.655    0.00    1.29384   1.09
  13   1   0 o  12905.937  12069.772  180.00   1.29170   1.25
   3   7   2 o  8524.399   7120.044    0.00    1.28671   1.83
   7   1   6 o  8618.991   7006.737    0.00    1.28537   1.80
   5   3   6 o  8699.523   6795.531    0.00    1.28303   1.85
   8   6   0 o  876.837    670.679    180.00   1.28138   0.09
   2   4   6 o  9991.939   7612.546    0.00    1.28099   2.15
  13   1   1 o  834.047    626.071     0.00    1.27919   0.16
   5   7   0 o  10983.734  8192.387   180.00   1.27761   1.15
   6   6   3 o  1245.218   936.733     0.00    1.27259   0.26
   3   1   7 o   7.191      5.471     180.00   1.27102   0.00
  11   1   4 o  1275.175   984.652     0.00    1.26944   0.25
   8   6   1 o  906.274    701.804     0.00    1.26917   0.18
  11   3   3 o  22829.541  18258.531  180.00   1.26599   4.39
   5   7   1 o  77.575     62.390      0.00    1.26551   0.02
  10   4   3 o  7840.783   6433.586    0.00    1.26402   1.52
   7   5   4 o  4700.381   3945.146    0.00    1.26269   0.94
   4   6   4 o  897.112    790.161     0.00    1.25964   0.18
   2   2   7 o   0.110      0.095      0.00    1.25613   0.00
   1   7   3 o  22697.146  19384.490  180.00   1.25490   4.67
  13   1   2 o  880.475    895.948     0.00    1.24375   0.16
   8   0   6 o  19394.098  19750.834  180.00   1.24343   1.88
   5   5   5 o  314.618    319.098    180.00   1.24076   0.06
  12   2   3 o  954.663    966.459    180.00   1.23995   0.17
   4   4   6 o  10430.077  10542.748  180.00   1.23920   2.08
   8   6   2 o  3269.881   3142.629    0.00    1.23453   0.62
   9   5   3 o  8540.586   8187.600    0.00    1.23444   1.61
   5   7   2 o  41.453     35.220      0.00    1.23116   0.01
   3   7   3 o  8411.393   6580.955   180.00   1.22824   1.65
   9   3   5 o  58.631     76.176      0.00    1.21896   0.01
  12   4   0 o  775.438    1008.435    0.00    1.21882   0.07
   5   1   7 o  13094.888  16870.873  180.00   1.21740   2.51
   4   2   7 o  11419.962  14535.907   0.00    1.21665   2.20
   1   3   7 o  14147.545  17650.998  180.00   1.21541   2.76
  14   0   0 o  4742.531   6234.514   180.00   1.21031   0.20
  12   4   1 o   5.475      7.740      0.00    1.20830   0.00
  13   3   0 o  3124.789   4452.786   180.00   1.20811   0.27
  10   2   5 o  160.055    231.405    180.00   1.20776   0.03
   0   8   0 o  263.927    395.147     0.00    1.20697   0.01
   8   4   5 o  328.098    537.644    180.00   1.20484   0.06
  11   5   0 o  4755.528   7953.189   180.00   1.20422   0.42
   8   2   6 o  20.355     34.119     180.00   1.20414   0.00
  12   0   4 o  2945.124   4961.047   180.00   1.20392   0.26
   7   3   6 o  43.764     74.651      0.00    1.20293   0.01
   2   6   5 o  585.206    940.337     0.00    1.20003   0.11
   1   5   6 o  561.892    871.657     0.00    1.19909   0.11
   7   7   0 o  5907.868   8938.905   180.00   1.19846   0.53
  13   3   1 o  1443.262   2131.284    0.00    1.19786   0.24
   6   6   4 o  1215.807   1646.148   180.00   1.19531   0.22
   2   8   0 o  985.255    1320.420   180.00   1.19490   0.09
  11   5   1 o  138.006    181.656    180.00   1.19407   0.02
   3   3   7 o  192.571    241.885     0.00    1.19114   0.04
  13   1   3 o  389.869    486.138    180.00   1.19072   0.07
  11   3   4 o  4674.954   5725.906   180.00   1.18984   0.80
   7   7   1 o  532.446    628.926    180.00   1.18845   0.09
  10   4   4 o  20645.180  24219.359  180.00   1.18821   3.58
   2   8   1 o  1068.771   1123.340   180.00   1.18498   0.20
   8   6   3 o  3610.489   3518.471    0.00    1.18262   0.63
   9   1   6 o  849.993    795.855     0.00    1.18121   0.15
   1   7   4 o  12041.246  11097.788  180.00   1.18062   2.20
   5   7   3 o  1848.488   1662.358   180.00   1.17965   0.33
  12   4   2 o  25949.045  22623.150  180.00   1.17830   4.31
   6   4   6 o  259.515    223.988     0.00    1.17780   0.05
   3   5   6 o  280.653    236.388     0.00    1.17577   0.05
  14   2   0 o  4064.887   3442.988    0.00    1.17398   0.33
  11   1   5 o  367.134    313.910    180.00   1.17321   0.06
  14   0   2 o  329.716    293.892     0.00    1.17061   0.03
  13   3   2 o  1622.713   1473.578    0.00    1.16861   0.26
  12   2   4 o  15052.660  13688.975   0.00    1.16814   2.47
   7   5   5 o  136.342    123.967     0.00    1.16788   0.02
   0   8   2 o  25683.281  23361.617  180.00   1.16758   2.29
  10   6   0 o  4937.797   4482.783    0.00    1.16688   0.41
   4   6   5 o  907.053    815.127     0.00    1.16547   0.16
  11   5   2 o  170.974    153.052     0.00    1.16509   0.03
  14   2   1 o   3.080      2.736     180.00   1.16457   0.00
   9   5   4 o  9716.369   8475.831    0.00    1.16354   1.64
   4   8   0 o  2881.476   2380.047    0.00    1.16077   0.25
   7   7   2 o  1980.207   1621.248    0.00    1.15987   0.34
   6   2   7 o  410.769    338.255     0.00    1.15840   0.07
   3   7   4 o  16406.045  13520.953   0.00    1.15834   2.87
  10   6   1 o  725.684    606.061     0.00    1.15764   0.12
   2   8   2 o  1911.114   1641.554    0.00    1.15665   0.33
   0   0   8 o  135409.67  134651.69   0.00    1.15198   5.94
   4   8   1 o  1277.064   1271.490   180.00   1.15167   0.22
   7   1   7 o  350.189    328.950     0.00    1.14835   0.06
   5   3   7 o  785.265    708.283    180.00   1.14667   0.13
   2   4   7 o  99.625     87.798      0.00    1.14521   0.02
   2   0   8 o  5181.287   4692.087   180.00   1.14148   0.45
   1   1   8 o  1844.382   1678.532   180.00   1.14127   0.32
  10   0   6 o  3149.545   3281.092   180.00   1.13801   0.25
  14   2   2 o  9322.022   9908.472   180.00   1.13764   1.42
   5   5   6 o  2342.076   2828.094   180.00   1.13294   0.39
  12   4   3 o  446.416    538.707     0.00    1.13291   0.07
  10   6   2 o  5168.822   5826.686   180.00   1.13117   0.81
  13   1   4 o  6082.526   5902.051   180.00   1.12671   0.92
   4   8   2 o  5641.961   5551.268   180.00   1.12560   0.92
  13   3   3 o  4034.028   4131.001    0.00    1.12429   0.61
  15   1   0 o  188.841    214.129     0.00    1.12197   0.01
  11   5   3 o  2858.143   3356.355   180.00   1.12116   0.44
   3   1   8 o  1957.730   2303.196   180.00   1.12111   0.32
   0   2   8 o  3330.572   4008.378   180.00   1.12053   0.28
   8   6   4 o   3.712      4.571      0.00    1.11984   0.00
   5   7   4 o  3853.811   4991.274   180.00   1.11732   0.62
   7   7   3 o  653.177    854.791    180.00   1.11650   0.10
   9   3   6 o  6277.848   8236.763   180.00   1.11628   0.98
   4   4   7 o  216.285    287.361    180.00   1.11506   0.04
   6   6   5 o  394.423    527.010     0.00    1.11396   0.06
  15   1   1 o  4739.642   6334.507    0.00    1.11375   0.68
   2   8   3 o  34.872     46.606      0.00    1.11362   0.01
   9   7   0 o  572.584    762.923    180.00   1.11270   0.04
   4   0   8 o  176.405    231.563     0.00    1.11161   0.01
   0   6   6 o  13337.480  17325.250  180.00   1.11111   1.08
   2   2   8 o  27.642     35.660     180.00   1.11085   0.00
   6   8   0 o  32.626     40.865     180.00   1.10985   0.00
  11   3   5 o  2276.068   2818.533   180.00   1.10952   0.34
  10   4   5 o  260.932    307.205     0.00    1.10820   0.04
  10   2   6 o  2403.945   2769.425    0.00    1.10765   0.37
   8   4   6 o   2.745      2.951     180.00   1.10540   0.00
   9   7   1 o  5621.609   6001.574   180.00   1.10468   0.86
   1   7   5 o  3240.381   3661.432   180.00   1.10203   0.52
   6   8   1 o  1285.435   1460.930    0.00    1.10189   0.20
   2   6   6 o  25.384     29.134      0.00    1.10168   0.00
  14   2   3 o  2733.563   4034.403    0.00    1.09663   0.39
  12   2   5 o  2210.117   3805.104   180.00   1.09187   0.32
  10   6   3 o  320.705    542.306    180.00   1.09083   0.05
  15   1   2 o  314.821    517.345     0.00    1.09012   0.04
   8   2   7 o  609.627    957.113     0.00    1.08931   0.09
   7   3   7 o   1.740      2.566     180.00   1.08842   0.00
   9   5   5 o  5010.420   7209.208    0.00    1.08810   0.74
   4   8   3 o  257.100    303.312     0.00    1.08584   0.04
   1   5   7 o  160.394    184.990     0.00    1.08557   0.02
   3   7   5 o  6313.859   6402.211   180.00   1.08385   0.97
   5   1   8 o  17.629     17.820      0.00    1.08380   0.00
   4   2   8 o  105.061    102.985     0.00    1.08327   0.02
   1   3   8 o  105.218    98.945     180.00   1.08239   0.02
  14   4   0 o  647.105    598.367     0.00    1.08194   0.04
   9   7   2 o  66.204     60.592     180.00   1.08161   0.01
  11   1   6 o  6684.892   6001.063    0.00    1.08082   0.96
  13   5   0 o   0.256      0.228     180.00   1.08036   0.00
   6   8   2 o  23.301     20.356     180.00   1.07900   0.00
  12   4   4 o  8767.412   7465.025    0.00    1.07736   1.24
   7   5   6 o  9560.737   8029.334    0.00    1.07665   1.42
   4   6   6 o  3088.227   2490.583    0.00    1.07476   0.47
  14   4   1 o  9138.272   7338.112    0.00    1.07456   1.25
  13   5   1 o  4290.987   3350.691   180.00   1.07301   0.59
   9   1   7 o  2101.307   1623.741    0.00    1.07225   0.30
  14   0   4 o  34.207     26.210     180.00   1.07147   0.00
   1   9   0 o  43.308     32.952     180.00   1.07072   0.00
  13   3   4 o  6653.047   5026.494   180.00   1.06994   0.92
   6   4   7 o  5222.705   3935.636   180.00   1.06970   0.77
   0   8   4 o  10470.727  7855.244    0.00    1.06914   0.78
   3   5   7 o  3446.569   2566.622    0.00    1.06818   0.52
  11   5   4 o  1826.352   1355.797   180.00   1.06724   0.26
   6   0   8 o  5048.167   3745.429    0.00    1.06665   0.37
  15   3   0 o  857.597    637.260    180.00   1.06588   0.06
   3   3   8 o  1759.878   1311.059    0.00    1.06514   0.26
   1   9   1 o  9709.373   7291.477    0.00    1.06356   1.44
   7   7   4 o  3254.043   2449.983   180.00   1.06322   0.47
  12   6   0 o  297.885    228.029     0.00    1.06138   0.02
   2   8   4 o  1988.091   1535.385   180.00   1.06073   0.29
  16   0   0 o  36360.02   29173.381   0.00    1.05902   1.18
  15   3   1 o  425.259    343.397     0.00    1.05882   0.06
  13   1   5 o   4.489      3.770     180.00   1.05780   0.00
  12   6   1 o  2349.497   2351.859   180.00   1.05441   0.32
   3   9   0 o  19.353     19.809     180.00   1.05401   0.00
  15   1   3 o  3102.566   3198.240    0.00    1.05388   0.41
  14   4   2 o  3554.338   3789.902    0.00    1.05329   0.47
   8   6   5 o  1424.637   1629.515    0.00    1.05211   0.20
  13   5   2 o  7784.511   9057.000    0.00    1.05184   1.04
   5   7   5 o  16.608     21.636     180.00   1.05002   0.00
   8   8   0 o  19932.047  28191.156   0.00    1.04865   1.39
   3   9   1 o  2395.149   3669.010    0.00    1.04719   0.34
   9   7   3 o  5845.271   9336.338   180.00   1.04619   0.80
  14   2   4 o  113.599    182.391     0.00    1.04602   0.01
   6   8   3 o  2320.664   3757.553    0.00    1.04382   0.32
   1   9   2 o  3549.620   5555.618    0.00    1.04293   0.51
   8   8   1 o  1108.608   1629.028   180.00   1.04193   0.15
   6   2   8 o  5604.747   7987.495    0.00    1.04153   0.79
  10   6   4 o  217.076    295.611    180.00   1.04098   0.03
   0   4   8 o  10576.905  12862.518   0.00    1.03966   0.76
  12   0   6 o  18265.086  21937.449  180.00   1.03952   1.21
  15   3   2 o  350.701    388.360    180.00   1.03846   0.04
   4   8   4 o   0.511      0.513     180.00   1.03664   0.00
   5   5   7 o  39.422     38.484     180.00   1.03575   0.01
  16   2   0 o  887.125    846.830    180.00   1.03443   0.06
  12   6   2 o  36.369     34.667     180.00   1.03430   0.00
   7   1   8 o  2272.957   2164.825   180.00   1.03421   0.31
   6   6   6 o  12948.684  12301.251  180.00   1.03396   1.79
   5   3   8 o  51.458     48.414     180.00   1.03299   0.01
  16   0   2 o  564.799    526.660     0.00    1.03212   0.04
   2   4   8 o  26.065     24.252      0.00    1.03192   0.00
  11   3   6 o  962.348    884.506     0.00    1.03041   0.13
  10   4   6 o  138.092    127.379     0.00    1.02935   0.02
  16   2   1 o  1030.531   983.610    180.00   1.02797   0.13
  11   7   0 o  2401.118   2328.126   180.00   1.02760   0.16
   3   9   2 o  129.269    126.117    180.00   1.02748   0.02
  12   4   5 o   8.559      8.252      0.00    1.01665   0.00
   5   9   1 o  3864.251   3711.760    0.00    1.01658   0.52
   1   1   9 o   0.111      0.106      0.00    1.01644   0.00
  10   2   7 o  76.831     72.786     180.00   1.01633   0.01
  12   2   6 o  3174.811   2992.604    0.00    1.01623   0.40
   1   7   6 o  1117.071   1331.889    0.00    1.02441   0.15
   8   4   7 o  114.519    101.187     0.00    1.01459   0.02
   9   3   7 o  339.651    436.921    180.00   1.02298   0.05
   5   9   0 o  1083.677   1401.428   180.00   1.02283   0.07
   8   8   2 o  97.370     127.074     0.00    1.02251   0.01
   9   5   6 o  2447.180   2079.512    0.00    1.01319   0.32
  11   7   1 o  364.478    477.195    180.00   1.02127   0.05
  14   4   3 o  5081.183   6469.888    0.00    1.02049   0.63
   8   0   8 o  30.289     25.036      0.00    1.01199   0.00
   2   6   7 o  13.166     10.815      0.00    1.01171   0.00
   1   9   3 o  6247.700   5064.646    0.00    1.01106   0.84
  13   5   3 o  1976.483   2301.925   180.00   1.01917   0.25
  13   3   5 o  4850.594   3881.420    0.00    1.01041   0.60
   3   7   6 o  6414.833   5066.939    0.00    1.00975   0.86
   4   4   8 o  38.868     30.668     180.00   1.00970   0.01
  16   2   2 o  1041.363   815.417     0.00    1.00931   0.12
  15   1   4 o  3469.925   2682.476    0.00    1.00872   0.42
  11   5   5 o  824.134    627.478    180.00   1.00813   0.10
  15   3   3 o  2113.130   1548.431   180.00   1.00699   0.25
   7   7   5 o  1004.598   672.933    180.00   1.00474   0.13
  12   6   3 o  2136.164   1367.264   180.00   1.00319   0.26
  11   7   2 o  69.611     44.341      0.00    1.00296   0.01
   2   8   5 o  426.440    269.969    180.00   1.00264   0.06
   3   1   9 o  244.265    153.425     0.00    1.00212   0.03
   9   7   4 o  1948.114   1221.375    0.00    1.00197   0.25
   6   8   4 o  4309.828   2684.333    0.00    0.99989   0.56
   5   9   2 o  383.528    241.656     0.00    0.99852   0.05
   3   9   3 o  2238.434   1457.333    0.00    0.99696   0.29
  11   1   7 o  245.448    169.977    180.00   0.99548   0.03
   2   2   9 o  88.371     63.850     180.00   0.99477   0.01
   8   8   3 o  1362.776   1190.989   180.00   0.99242   0.17
   7   5   7 o  285.646    254.485    180.00   0.99222   0.04
  17   1   0 o  2610.098   2499.627   180.00   0.99146   0.15
   4   6   7 o  1819.146   1856.718    0.00    0.99074   0.23
   8   2   8 o  2627.501   2742.040   180.00   0.99046   0.33
  14   2   5 o  565.478    602.410     0.00    0.99019   0.07
   7   3   8 o  5755.542   6302.475   180.00   0.98979   0.73
  13   1   6 o  75.272     88.043      0.00    0.98859   0.01
   1   5   8 o  4626.758   5641.153   180.00   0.98765   0.60
  10   6   5 o   0.045      0.060     180.00   0.98591   0.00
  17   1   1 o  41.723     56.247     180.00   0.98577   0.00
   8   6   6 o  1120.829   1841.913    0.00    0.98394   0.14
  10   8   0 o  1438.989   2707.199   180.00   0.98307   0.09
   5   7   6 o   7.738     16.677     180.00   0.98223   0.00
   4   8   5 o  117.855    254.452    180.00   0.98222   0.01
   7   9   0 o  89.820     232.939    180.00   0.98084   0.01
  16   2   3 o  2669.610   7186.000   180.00   0.98034   0.30
  14   4   4 o   3.558      9.705      0.00    0.97933   0.00
  13   5   4 o   0.326      0.817     180.00   0.97816   0.00
   9   1   8 o  387.532    904.619     0.00    0.97758   0.05
  10   8   1 o   0.015      0.036      0.00    0.97752   0.00
   6   4   8 o  614.997    1070.203    0.00    0.97565   0.08
   7   9   1 o  320.517    529.416     0.00    0.97533   0.04
   5   1   9 o  1076.629   1742.069   180.00   0.97520   0.13
  15   5   0 o  3811.755   6027.933    0.00    0.97506   0.22
   4   2   9 o  433.909    659.731     0.00    0.97482   0.05
  11   7   3 o  4383.778   6359.284    0.00    0.97452   0.52
   3   5   8 o  611.193    882.409     0.00    0.97449   0.08
   1   3   9 o  571.407    784.530    180.00   0.97418   0.07
   1   9   4 o  88.316     81.749     180.00   0.97098   0.01
   5   9   3 o  1986.731   1773.591   180.00   0.97045   0.24
  16   4   0 o  149.018    128.875    180.00   0.96980   0.01
  15   5   1 o   2.369      2.036      0.00    0.96965   0.00
  17   1   2 o  798.239    677.826     0.00    0.96928   0.09
  15   3   4 o  387.963    310.203     0.00    0.96738   0.04
  14   6   0 o  996.653    793.937     0.00    0.96728   0.06
   0  10   0 o  14071.715  10359.454   0.00    0.96557   0.43
  16   4   1 o  567.490    397.834    180.00   0.96447   0.06
  12   6   4 o  1132.930   781.434     0.00    0.96401   0.13
  16   0   4 o  4723.610   3191.819    0.00    0.96224   0.26
  14   6   1 o  876.335    594.287    180.00   0.96200   0.10
   3   3   9 o  188.557    129.227     0.00    0.96155   0.02
  10   8   2 o  492.141    338.556     0.00    0.96143   0.06
   2  10   0 o  573.986    441.999     0.00    0.95936   0.03
   7   9   2 o  4517.194   3482.994    0.00    0.95935   0.53
   6   6   7 o  281.594    231.571     0.00    0.95851   0.03
   3   9   4 o  730.763    602.548     0.00    0.95848   0.09
  15   1   5 o  4981.640   4141.063    0.00    0.95838   0.55
  11   3   7 o  669.678    677.771     0.00    0.95568   0.08
  10   4   7 o  1469.469   1543.815   180.00   0.95483   0.17
  12   4   6 o  18599.689  19599.078  180.00   0.95475   2.10
   8   8   4 o  6618.083   7040.293    0.00    0.95444   0.77
   2  10   1 o  1427.852   1527.882    0.00    0.95421   0.17
  15   5   2 o  336.533    362.062    180.00   0.95394   0.04
  10   0   8 o  11301.534  12248.264  180.00   0.95267   0.65
   9   7   5 o  5294.828   5735.627   180.00   0.95258   0.61
  17   3   0 o  231.006    248.969     0.00    0.95212   0.01
   1   7   7 o  81.872     85.538      0.00    0.95088   0.01
   6   8   5 o  1494.941   1557.258    0.00    0.95079   0.17
  14   0   6 o   3.308      3.427      0.00    0.95065   0.00
   5   5   8 o  9924.936   9898.734   180.00   0.94969   1.17
  13   3   6 o  1084.221   1076.426    0.00    0.94958   0.12
  16   4   2 o  677.465    656.499    180.00   0.94901   0.07
   0   8   6 o  23446.611  22733.029  180.00   0.94902   1.39
  11   5   6 o  39.512     36.457     180.00   0.94769   0.00
  13   7   0 o  14.456     13.227     180.00   0.94737   0.00
  17   3   1 o  10053.013  9139.019   180.00   0.94708   1.06
  14   6   2 o  3152.019   2846.291   180.00   0.94665   0.34
   0  10   2 o  256.037    231.487    180.00   0.94505   0.01
   7   7   6 o  115.793    104.950     0.00    0.94487   0.01
  12   2   7 o  5795.507   5300.889   180.00   0.94433   0.64
   6   2   9 o  34.446     31.675     180.00   0.94407   0.00
  16   2   4 o  5269.155   4885.107   180.00   0.94368   0.56
  17   1   3 o  3334.420   3102.616    0.00    0.94353   0.35
   2   8   6 o  846.623    794.920     0.00    0.94312   0.10
  13   7   1 o  8904.552   8505.396    0.00    0.94241   0.97
   9   5   7 o  7491.901   7243.745    0.00    0.94189   0.85
   4  10   0 o   1.271      1.243      0.00    0.94143   0.00
  18   0   0 o   0.824      0.808     180.00   0.94135   0.00
   9   3   8 o  2547.167   2618.990   180.00   0.93981   0.29
   2  10   2 o  1064.624   1120.768   180.00   0.93922   0.12
   3   7   7 o  6301.768   6660.847   180.00   0.93913   0.73
   7   1   9 o  550.163    594.678    180.00   0.93861   0.06
  11   7   4 o  2477.792   2692.669   180.00   0.93849   0.27
   5   3   9 o  3043.306   3425.152    0.00    0.93769   0.35
   2   4   9 o  2351.982   2732.885   180.00   0.93690   0.27
   0   6   8 o  2514.177   2939.288   180.00   0.93672   0.15
   4  10   1 o  5907.524   6943.926   180.00   0.93655   0.67
  10   8   3 o  1552.399   1839.601   180.00   0.93629   0.17
   5   9   4 o  2595.865   3157.874   180.00   0.93485   0.29
  10   2   8 o  10937.253  13324.934   0.00    0.93464   1.21
   7   9   3 o  4091.683   4986.925    0.00    0.93437   0.46
   8   4   8 o  5181.583   6257.088    0.00    0.93329   0.58
  14   4   5 o  3892.483   4677.242    0.00    0.93306   0.41
  14   2   6 o  3287.067   3918.553   180.00   0.93273   0.35
  17   3   2 o  1043.073   1231.777    0.00    0.93242   0.11
   9   9   0 o  64.552     75.447     180.00   0.93214   0.00
  13   5   5 o  1786.596   2081.331   180.00   0.93205   0.19
   2   6   8 o  8703.595   9718.896    0.00    0.93105   1.00
  15   5   3 o  153.990    159.729    180.00   0.92937   0.02
  10   6   6 o  734.662    755.630    180.00   0.92916   0.08
  13   7   2 o  4590.551   4501.806    0.00    0.92796   0.49
   9   9   1 o  793.205    758.994     0.00    0.92740   0.09
   4   8   6 o  2444.511   2166.383   180.00   0.92607   0.27
   1   9   5 o  5560.629   4848.568    0.00    0.92584   0.63
  16   4   3 o  55.369     44.544      0.00    0.92481   0.01
  18   2   0 o  4713.149   3547.671    0.00    0.92395   0.24
  15   3   5 o  264.525    185.645    180.00   0.92271   0.03
  14   6   3 o  302.467    211.686    180.00   0.92263   0.03
   4  10   2 o  2929.349   2034.422    0.00    0.92237   0.32
  18   0   2 o  2549.142   1766.918   180.00   0.92230   0.13
  13   1   7 o  1004.475   692.717     0.00    0.92203   0.11
   0   0  10 o   6.918      4.755     180.00   0.92159   0.00
   4   4   9 o  608.902    432.012    180.00   0.92017   0.07
  12   6   5 o  1736.620   1255.353   180.00   0.91978   0.18
  18   2   1 o  670.350    497.609    180.00   0.91934   0.07
  11   1   8 o  61.209     49.228      0.00    0.91836   0.01
   8   6   7 o  259.010    210.374     0.00    0.91825   0.03
  12   8   0 o  7194.195   6363.401    0.00    0.91747   0.38
   5   7   7 o  36.055     34.352      0.00    0.91686   0.00
   2   0  10 o  2353.180   2439.628    0.00    0.91618   0.13
   1   1  10 o  4660.315   4892.347    0.00    0.91608   0.52
   7   5   8 o  164.943    178.752     0.00    0.91579   0.02
   2  10   3 o  1031.043   1123.074    0.00    0.91575   0.11
   3   9   5 o  2519.504   2939.070    0.00    0.91497   0.28
   4   6   8 o  515.309    613.867    180.00   0.91463   0.06
   6  10   0 o  2331.327   2855.561    0.00    0.91365   0.13
   9   9   2 o  530.120    649.410    180.00   0.91363   0.06
  12   8   1 o  2274.472   2784.454    0.00    0.91296   0.24
   8   8   5 o  812.934    968.652    180.00   0.91146   0.09
  17   1   4 o  89.790     104.889    180.00   0.91071   0.01
  17   3   3 o  1499.766   1688.646   180.00   0.90944   0.15
   6  10   1 o  873.391    977.219    180.00   0.90919   0.09
  15   1   6 o  16.152     17.997     180.00   0.90600   0.00
  18   2   2 o  5716.908   6372.522   180.00   0.90592   0.55
   3   1  10 o  3781.847   4218.472   180.00   0.90555   0.41
   8   2   9 o  1561.730   1742.046    0.00    0.90554   0.17
  13   7   3 o  951.593    1061.020    0.00    0.90530   0.10
   0   2  10 o  5420.824   6043.132   180.00   0.90524   0.30
   7   3   9 o  320.983    357.360    180.00   0.90502   0.03
  10   8   4 o  3084.967   3404.357   180.00   0.90420   0.32
   1   5   9 o  455.884    496.797     0.00    0.90339   0.05
   7   9   4 o  543.520    581.800    180.00   0.90246   0.06
  16   2   5 o  2580.891   2738.324   180.00   0.90207   0.25
   9   7   6 o  1269.991   1313.630   180.00   0.90110   0.13
   4   0  10 o  6079.378   6191.270   180.00   0.90052   0.33
   2   2  10 o  8601.521   8675.201   180.00   0.90012   0.92
   4  10   3 o  460.728    464.573    180.00   0.90011   0.05
  12   8   2 o  3442.667   3450.954   180.00   0.89981   0.35
   6   8   6 o  439.763    439.196    180.00   0.89959   0.05
  15   5   4 o  943.241    928.940    180.00   0.89795   0.09
  11   7   5 o  519.992    511.134     0.00    0.89754   0.05
   6  10   2 o  6869.938   6712.045   180.00   0.89620   0.71
   9   1   9 o  1591.216   1549.996    0.00    0.89566   0.16
  12   4   7 o   0.824      0.788     180.00   0.89439   0.00
   5   9   5 o  55.015     52.572      0.00    0.89435   0.01
   6   4   9 o  6074.937   5780.949   180.00   0.89418   0.64
  16   4   4 o  2904.152   2739.894    0.00    0.89384   0.28
   3   5   9 o  4339.363   4037.532    0.00    0.89329   0.46
  12   0   8 o  1099.366   1009.893    0.00    0.89261   0.05
   9   9   3 o  209.169    191.848     0.00    0.89198   0.02
  14   6   4 o  2758.982   2533.101    0.00    0.89187   0.27
   0  10   4 o  465.984    448.290    180.00   0.89053   0.02
  13   3   7 o  545.360    536.539     0.00    0.89013   0.05
   6   6   8 o  2677.170   2803.380    0.00    0.88909   0.28
  11   5   7 o  83.831     90.194     180.00   0.88858   0.01
  19   1   0 o  6692.386   7386.193   180.00   0.88803   0.31
  11   3   8 o  601.164    693.565    180.00   0.88683   0.06
   7   7   7 o  130.986    153.104    180.00   0.88625   0.01
  10   4   8 o  4129.550   4833.948   180.00   0.88615   0.41
  17   5   0 o  2080.434   2442.064   180.00   0.88571   0.10
   2  10   4 o  3548.155   4164.542    0.00    0.88565   0.37
   5   1  10 o  2854.828   3348.991    0.00    0.88554   0.29
   4   2  10 o  2014.924   2356.326    0.00    0.88525   0.21
  18   2   3 o  602.944    697.829    180.00   0.88480   0.06
   2   8   7 o  681.863    789.476    180.00   0.88481   0.07
   1   3  10 o  1467.464   1697.073    0.00    0.88477   0.15
  16   6   0 o  8914.171   10269.135  180.00   0.88465   0.42
  14   4   6 o  2379.297   2727.987    0.00    0.88453   0.23
  19   1   1 o   2.175      2.429      0.00    0.88393   0.00
  13   5   6 o  6353.029   6990.627    0.00    0.88366   0.62
   1   7   8 o  2377.868   2514.100   180.00   0.88299   0.25
  17   5   1 o  381.797    374.064    180.00   0.88165   0.04
  16   6   1 o   7.658      7.227     180.00   0.88061   0.00
  11   9   0 o  4182.595   3930.837   180.00   0.88037   0.20
  17   3   4 o  441.465    413.733    180.00   0.87994   0.04
  12   8   3 o  568.003    539.275     0.00    0.87910   0.05
   8  10   0 o  4100.808   3964.980   180.00   0.87858   0.20
   1   9   6 o  3667.842   3579.808    0.00    0.87836   0.37
  12   2   8 o  4621.026   4642.540    0.00    0.87774   0.45
  18   4   0 o   0.024      0.025      0.00    0.87703   0.00
   1  11   0 o  8875.282   9325.059   180.00   0.87662   0.45
  11   9   1 o  328.218    347.294     0.00    0.87638   0.03
  14   2   7 o  133.459    141.838    180.00   0.87622   0.01
  13   7   4 o  413.840    440.098    180.00   0.87619   0.04
   6   0  10 o  1651.925   1759.973    0.00    0.87612   0.08
   9   5   8 o  4849.983   5204.026    0.00    0.87578   0.48
   6  10   3 o  234.913    252.256    180.00   0.87573   0.02
  15   3   6 o  779.724    837.962    180.00   0.87569   0.07
   3   3  10 o  1686.897   1823.869    0.00    0.87528   0.17
   8  10   1 o  33.523     36.490     180.00   0.87462   0.00
   5   5   9 o  48.310     52.797     180.00   0.87406   0.00
  15   7   0 o  183.998    201.253    180.00   0.87396   0.01
   3   7   8 o  5088.311   5573.844    0.00    0.87355   0.51
  10   6   7 o  587.200    643.658     0.00    0.87325   0.06
  12   6   6 o  137.802    151.057    180.00   0.87319   0.01
  17   1   5 o  346.221    379.528     0.00    0.87315   0.03
  18   4   1 o  1907.449   2090.944    0.00    0.87308   0.17
   1  11   1 o  145.393    159.308    180.00   0.87268   0.01
  19   1   2 o  161.809    176.790     0.00    0.87198   0.01
  16   0   6 o  4097.411   4474.166    0.00    0.87187   0.19
   4  10   4 o  870.985    949.050    180.00   0.87148   0.09
  18   0   4 o  476.040    518.525    180.00   0.87142   0.02
   4   8   7 o  1053.185   1141.542   180.00   0.87068   0.10
  15   7   1 o  170.725    184.014     0.00    0.87006   0.02
  17   5   2 o   0.091      0.098     180.00   0.86979   0.00
_reflns_number_total                   646
_reflns_limit_h_min                    0
_reflns_limit_h_max                    20
_reflns_limit_k_min                    0
_reflns_limit_k_max                    11
_reflns_limit_l_min                    0
_reflns_limit_l_max                    10
_reflns_d_resolution_high              0.870
_reflns_d_resolution_low               8.472
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
