
#=======================================================================
data_syntheticheyrovskyite
#=======================================================================

# 1. CHEMICAL DATA

_chemical_name_systematic               
;
Lead Bismuth Sulphide (5.82/2.12/9)
;
_chemical_formula_structural             'Pb5.82 Bi2.12 S9'
_chemical_formula_weight                 1937.5         
_chemical_name_mineral                   Heyrovskyite

_chemical_special_details
;
The non-integer number of atoms in the unit-cell is due to the occurrence 
of partially occupied sites and substitutional disorder.
The discrepancy between the reported chemical formula sum and the formula 
calculated from the atom site is due to occurrence of mixed Pb-Bi sites. 
The distribution of Pb and Bi in these mixed cation positions could not 
derived directly from the refinement because of the similarity in the 
scattering power of Pb and Bi, but they were calculated on the basis of 
the volumes of the coordination polyhedra, as it is explained in the text.
;    

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

# 2. CRYSTAL DATA

_symmetry_cell_setting                   orthorhombic
_symmetry_space_group_name_H-M           'B b m m'
loop_
 _symmetry_equiv_pos_as_xyz                                  
'x,y,z'
'-x,-y,z'
'-x,y+1/2,-z'
'x,-y+1/2,-z'
'-x,-y,-z'
'x,y,-z'
'x,-y+1/2,z'
'-x,y+1/2,z'
'x+1/2,y,z+1/2'
'-x+1/2,-y,z+1/2'
'-x+1/2,y+1/2,-z+1/2'
'x+1/2,-y+1/2,-z+1/2'
'-x+1/2,-y,-z+1/2'
'x+1/2,y,-z+1/2'
'x+1/2,-y+1/2,z+1/2'
'-x+1/2,y+1/2,z+1/2'

_cell_length_a                           13.719(4)      
_cell_length_b                           31.393(9)      
_cell_length_c                           4.1319(10)     
_cell_angle_alpha                        90             
_cell_angle_beta                         90             
_cell_angle_gamma                        90             
_cell_volume                             1779.5(9)      
_cell_formula_units_Z                    4

_cell_measurement_reflns_used            725
_cell_measurement_theta_min              5.2
_cell_measurement_theta_max              22.85
_cell_measurement_temperature            299

_exptl_crystal_density_diffrn            7.232          
_exptl_crystal_density_meas              'not measured'              
_exptl_crystal_density_method            'not measured'              
_exptl_crystal_F_000                     3188.8           

_exptl_absorpt_coefficient_mu            76.76         
_exptl_crystal_description               plate
_exptl_crystal_size_max                  0.095
_exptl_crystal_size_mid                  0.048
_exptl_crystal_size_min                  0.014
_exptl_crystal_colour                    black
_exptl_absorpt_correction_type           gaussian
_exptl_absorpt_process_details
 'XPREP (Sheldrick, 1993)'
_exptl_absorpt_correction_T_min          0.048          
_exptl_absorpt_correction_T_max          0.316          

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

# 3. EXPERIMENTAL DATA

_exptl_special_details                   ?

_diffrn_ambient_temperature              299            
_diffrn_radiation_type                   'Mo K\a'
_diffrn_radiation_source                 'X-ray tube'
_diffrn_radiation_wavelength             0.71069
_diffrn_radiation_monochromator          graphite
_diffrn_measurement_device               'Bruker-AXS Smart 1000CCD'
_diffrn_measurement_device_type          ?
_diffrn_detector_area_resol_mean         ?
_diffrn_measurement_method               ?

_diffrn_reflns_number                    5342           
_diffrn_reflns_theta_min                 3.26           
_diffrn_reflns_theta_max                 23.32
_diffrn_reflns_theta_full               23.32
_diffrn_measured_fraction_theta_full        0.9925
_diffrn_reflns_av_R_equivalents          0.1253         
_diffrn_reflns_av_sigmaI/netI            0.0729         
_diffrn_reflns_limit_h_min               -14            
_diffrn_reflns_limit_h_max               14             
_diffrn_reflns_limit_k_min               -30            
_diffrn_reflns_limit_k_max               34             
_diffrn_reflns_limit_l_min               -4             
_diffrn_reflns_limit_l_max               4              
_diffrn_reflns_reduction_process         'Saint+'

_diffrn_standards_number                 ?              
_diffrn_standards_interval_count         ?              
_diffrn_standards_interval_time          ?              
_diffrn_standards_decay_%                ?

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

# 4. REFINEMENT DATA

_refine_special_details                 
; ?
;

_reflns_number_total                     756            
_reflns_number_gt                        370            
_reflns_threshold_expression             'I>3\s(I)'     

_refine_ls_structure_factor_coef         F              
_refine_ls_R_factor_gt                   0.0342         
_refine_ls_wR_factor_gt                  0.0333         
_refine_ls_R_factor_all                  0.0782         
_refine_ls_wR_factor_ref                 0.0375         
_refine_ls_goodness_of_fit_ref           1.04           
_refine_ls_goodness_of_fit_gt            1.36           
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_reflns                 756            
_refine_ls_number_parameters             43             
_refine_ls_number_restraints             ?
_refine_ls_number_constraints            ?
_refine_ls_weighting_scheme              sigma          
_refine_ls_weighting_details             'w=1/(\s^2^(F)+0.0001F^2^)'
_refine_ls_hydrogen_treatment            ?
_refine_ls_shift/su_max                  0.0459         
_refine_ls_shift/su_mean                 0.0068         
_refine_diff_density_max                 5.05           
_refine_diff_density_min                 -4.94          
_refine_ls_extinction_method            
 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_extinction_coef               237(16)

loop_
 _atom_type_symbol                                           
 _atom_type_scat_dispersion_real                             
 _atom_type_scat_dispersion_imag                             
 _atom_type_scat_source                                      
 Pb  -3.394  10.111
 'International Tables Vol C Tables  4.2.6.8 and 6.1.1.1'
 Bi  -4.108  10.257
 'International Tables Vol C Tables  4.2.6.8 and 6.1.1.1'
 S    0.125   0.123
 'International Tables Vol C Tables  4.2.6.8 and 6.1.1.1'

_computing_data_collection
 'Smart (Bruker-AXS, 1998)'
_computing_cell_refinement
 'Saint+ (Bruker-AXS, 1998)'
_computing_data_reduction
 'Saint+ (Bruker-AXS, 1998)'
_computing_structure_solution            ?
_computing_structure_refinement         
 'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_molecular_graphics            ?
_computing_publication_material         
 'Jana2006 (Petricek, Dusek & Palatinus, 2006)'

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

# 5. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
 _atom_site_label                                            
 _atom_site_type_symbol                                      
 _atom_site_fract_x                                          
 _atom_site_fract_y                                          
 _atom_site_fract_z                                          
 _atom_site_adp_type                                         
 _atom_site_U_iso_or_equiv                                   
 _atom_site_symmetry_multiplicity                            
 _atom_site_occupancy                                        
 _atom_site_calc_flag                                        
 _atom_site_refinement_flags                                 
 _atom_site_disorder_assembly                                
 _atom_site_disorder_group                                   
  Pb1 Pb 0.4213(2) 0.25 0 Uani 0.0460(12) 4 1 d . . .
  Pb2 Pb 0 0 0.5 Uani 0.0183(8) 4 1 d . . .
  Pb3 Pb 0.22856(12) 0.05819(6) 0 Uani 0.0186(6) 8 0.970(8) d . . .
  Pb4 Pb 0.18225(12) 0.17491(5) 0.5 Uani 0.0207(6) 8 0.50 d . . .
  Bi4 Bi 0.18225(12) 0.17491(5) 0.5 Uani 0.0207(6) 8 0.50 d . . .
  Pb5 Pb 0.45528(12) 0.11908(6) 0.5 Uani 0.0187(6) 8 0.50 d . . .
  Bi5 Bi 0.45528(12) 0.11908(6) 0.5 Uani 0.0187(6) 8 0.50 d . . .
  S1 S 0.0443(8) 0.1952(3) 0 Uiso 0.021(3) 8 1 d . . .
  S2 S 0.0871(7) 0.0859(3) 0.5 Uiso 0.020(3) 8 1 d . . .
  S5 S 0.3615(8) 0.0268(4) 0.5 Uiso 0.021(2) 8 1 d . . .
  S4 S 0.3244(8) 0.1465(4) 0 Uiso 0.030(3) 8 1 d . . .
  S3 S 0.2791(11) 0.25 0.5 Uiso 0.019(4) 4 1 d . . .

loop_
 _atom_site_aniso_label                                      
 _atom_site_aniso_type_symbol                                
 _atom_site_aniso_U_11                                       
 _atom_site_aniso_U_22                                       
 _atom_site_aniso_U_33                                       
 _atom_site_aniso_U_12                                       
 _atom_site_aniso_U_13                                       
 _atom_site_aniso_U_23                                       
 Pb1 Pb 0.0359(17) 0.071(2) 0.031(2) 0 0 0
 Pb2 Pb 0.0171(13) 0.0207(15) 0.0172(16) 0.0006(10) 0 0
 Bi2 Bi 0.0171(13) 0.0207(15) 0.0172(16) 0.0006(10) 0 0
 Pb3 Pb 0.0167(9) 0.0221(11) 0.0169(12) 0.0014(7) 0 0
 Pb4 Pb 0.0230(10) 0.0190(10) 0.0201(12) -0.0006(8) 0 0
 Bi4 Bi 0.0230(10) 0.0190(10) 0.0201(12) -0.0006(8) 0 0
 Pb5 Pb 0.0172(9) 0.0213(10) 0.0175(12) -0.0011(7) 0 0
 Bi5 Bi 0.0172(9) 0.0213(10) 0.0175(12) -0.0011(7) 0 0

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

# 6. STRUCTURE-FACTOR LIST

loop_
 _refln_index_h                                              
 _refln_index_k                                              
 _refln_index_l                                              
 _refln_F_meas                                               
 _refln_F_calc                                               
 _refln_F_sigma                                              
 _refln_observed_status                                      
   4   0   0    107.96    105.35      1.72 o
   6   0   0      6.07      6.32      7.67 <
   8   0   0     68.10     67.63      2.20 o
  10   0   0      7.29     15.52     10.94 <
  12   0   0     18.27      7.99      5.93 <
  14   0   0     17.62     18.41      5.45 <
   4   1   0    143.39    136.23      1.71 o
   6   1   0      5.21      2.03      6.27 <
   8   1   0     13.91     17.08      3.44 <
  10   1   0     10.92     12.74      5.42 <
  12   1   0     34.94     33.59      2.80 o
  14   1   0     17.52     11.84      4.53 <
   2   2   0      0.00      1.23     32.37 <
   4   2   0     96.03     92.17      1.53 o
   6   2   0      0.00      1.43     40.65 <
   8   2   0    118.49    117.63      1.79 o
  10   2   0      7.09      1.96      8.14 <
  12   2   0      4.29      2.53     13.95 <
  14   2   0     46.32     43.07      2.50 o
   2   3   0     10.40     10.42      1.88 <
   4   3   0     38.81     39.15      1.22 o
   6   3   0      7.95     10.39      4.57 <
   8   3   0    134.55    132.81      1.91 o
  10   3   0     10.26     15.06      5.12 <
  12   3   0     46.14     43.89      2.17 o
  14   3   0     78.39     73.92      2.16 o
   2   4   0      1.76      0.37     10.79 <
   4   4   0      4.38      5.45      5.97 <
   6   4   0     12.94     13.11      2.62 <
   8   4   0     88.12     88.04      1.53 o
  10   4   0     68.73     68.31      1.68 o
  12   4   0     67.19     66.40      1.98 o
  14   4   0     81.60     78.24      2.33 o
   2   5   0     32.71     31.89      1.30 o
   4   5   0     22.56     22.39      1.58 o
   6   5   0     57.67     60.69      1.33 o
   8   5   0     15.91     16.25      2.75 <
  10   5   0     97.61     96.91      1.72 o
  12   5   0     64.50     61.10      2.03 o
  14   5   0     17.67     23.79      5.37 <
   0   6   0     27.88     21.16      4.35 o
   2   6   0      4.68      4.58      5.73 <
   4   6   0      6.73      6.11      4.15 <
   6   6   0    173.80    169.90      2.03 o
   8   6   0     12.30     16.25      3.65 <
  10   6   0     50.22     49.91      1.93 o
  12   6   0     26.01     28.10      2.98 o
  14   6   0     26.91     27.91      3.76 o
   2   7   0    127.35    128.50      1.66 o
   4   7   0      5.81      0.89      4.91 <
   6   7   0    154.31    150.71      1.88 o
   8   7   0      3.74      9.28     11.45 <
  10   7   0     16.67     16.46      3.53 <
  12   7   0      6.48      0.86      9.94 <
  14   7   0      9.62     10.00      9.34 <
   0   8   0     25.13     13.08      5.35 <
   2   8   0    201.90    198.50      2.28 o
   4   8   0      0.00      0.34     38.73 <
   6   8   0      3.90      5.67      9.70 <
   8   8   0      2.63      0.84     16.66 <
  10   8   0     18.02     18.98      3.32 <
  12   8   0     14.44     13.01      4.67 <
  14   8   0     16.90     22.83      5.72 <
   2   9   0    120.97    125.08      1.67 o
   4   9   0     24.46     25.08      1.81 o
   6   9   0     65.42     66.52      1.62 o
   8   9   0      6.19      6.08      7.43 <
  10   9   0     21.77     25.68      2.93 o
  12   9   0     10.13      4.43      7.51 <
  14   9   0      9.72      2.23      9.82 <
   0  10   0     39.03     36.36      4.26 o
   2  10   0    130.36    135.63      1.79 o
   4  10   0      9.21      9.20      3.88 <
   6  10   0     83.41     84.10      1.49 o
   8  10   0      9.47      8.21      5.27 <
  10  10   0      8.23      9.16      7.12 <
  12  10   0      9.02      9.33      8.87 <
  14  10   0      8.57     12.21     11.40 <
   2  11   0     54.43     55.02      2.05 o
   4  11   0     28.86     27.05      1.82 o
   6  11   0     83.68     85.49      1.52 o
   8  11   0     24.50     25.91      2.62 o
  10  11   0     55.38     52.44      2.05 o
  12  11   0     17.19     22.93      5.19 <
  14  11   0      0.00      8.88     69.66 <
   0  12   0     52.64     50.06      2.42 o
   2  12   0     26.63     26.24      3.02 o
   4  12   0     29.93     30.89      1.97 o
   6  12   0     57.33     57.80      1.65 o
   8  12   0      3.38      7.88     16.32 <
  10  12   0    102.99    103.24      2.09 o
  12  12   0     93.30     94.15      2.33 o
  14  12   0     16.90     23.40      6.42 <
   2  13   0     19.12     21.83      3.38 <
   4  13   0     34.93     36.57      1.89 o
   6  13   0      4.12      5.43     11.91 <
   8  13   0     82.84     85.81      1.74 o
  10  13   0     80.71     81.76      2.11 o
  12  13   0     90.47     87.27      2.40 o
  14  13   0     51.01     52.18      3.13 o
   0  14   0     76.61     73.83      3.34 o
   2  14   0     13.95      9.39      4.80 <
   4  14   0     56.34     59.20      1.99 o
   6  14   0      8.58      3.75      6.33 <
   8  14   0    103.27    106.27      1.82 o
  10  14   0     21.27     24.42      4.21 <
  12  14   0     23.08     25.01      4.41 <
   2  15   0     11.67      4.00      6.21 <
   4  15   0    154.38    157.32      2.03 o
   6  15   0      2.86      9.83     20.36 <
   8  15   0     30.46     30.59      2.56 o
  10  15   0     11.87      3.08      7.30 <
  12  15   0      0.00      9.08     68.77 <
   0  16   0    176.58    180.69      2.78 o
   2  16   0     30.19     28.23      2.86 o
   4  16   0    106.98    110.69      1.80 o
   6  16   0     21.37     23.17      3.11 o
   8  16   0     12.25      9.53      6.60 <
  10  16   0     16.00     16.13      5.67 <
  12  16   0      1.84      6.80     54.29 <
   2  17   0     31.80     33.67      2.91 o
   4  17   0     12.81      3.26      6.02 <
   6  17   0     13.69     15.31      5.77 <
   8  17   0      9.67     14.28      9.21 <
  10  17   0     12.35     12.13      7.68 <
  12  17   0      0.00      5.76     71.57 <
   0  18   0     97.37    106.78      2.61 o
   2  18   0     35.59     32.00      2.61 o
   4  18   0    105.95    105.28      2.11 o
   6  18   0     35.85     36.87      2.65 o
   8  18   0     14.95     14.78      6.06 <
  10  18   0      3.56      1.84     26.59 <
  12  18   0     10.05      5.42      8.85 <
   2  19   0     35.22     35.07      2.72 o
   4  19   0    127.42    125.74      2.01 o
   6  19   0     10.46      1.95      8.52 <
   8  19   0     65.10     62.79      2.62 o
  10  19   0     35.85     34.20      3.59 o
  12  19   0     10.24     11.56      8.89 <
   0  20   0     16.04     16.62      7.01 <
   2  20   0     16.30     13.49      5.10 <
   4  20   0     50.48     48.03      2.29 o
   6  20   0     46.99     44.42      2.94 o
   8  20   0     79.06     78.54      3.09 o
  10  20   0     25.93     31.24      3.99 o
  12  20   0     36.13     36.37      3.52 o
   2  21   0     45.53     45.42      2.44 o
   4  21   0     10.76      9.72      8.14 <
   6  21   0     15.51      6.06      8.21 <
   8  21   0     26.74     26.97      3.68 o
  10  21   0     79.40     83.66      2.51 o
  12  21   0     55.11     60.12      3.09 o
   0  22   0     16.80     13.07      7.11 <
   2  22   0     25.31     22.08      3.71 o
   4  22   0     11.60      1.51      7.60 <
   6  22   0     62.26     66.69      3.18 o
   8  22   0      9.70     15.58      8.73 <
  10  22   0     63.38     63.25      3.42 o
   2  23   0     64.50     60.72      2.63 o
   4  23   0     30.65     30.34      3.52 o
   6  23   0     75.81     78.86      2.97 o
   8  23   0      9.16      5.22      9.66 <
  10  23   0     44.05     38.39      3.31 o
   0  24   0     47.50     47.24      4.93 o
   2  24   0     87.95     88.80      2.92 o
   4  24   0     14.07      1.92      8.63 <
   6  24   0     29.77     29.06      3.69 o
   8  24   0     31.23     30.03      3.78 o
  10  24   0      9.37     19.32     10.50 <
   2  25   0     45.10     36.04      3.77 o
   4  25   0     55.90     50.69      3.88 o
   6  25   0     18.18     20.05      7.23 <
   8  25   0     17.44     10.09      7.53 <
  10  25   0      6.31      9.52     15.98 <
   0  26   0     32.29     38.32      5.82 <
   2  26   0    129.60    130.92      2.92 o
   4  26   0     17.00     13.33      8.06 <
   6  26   0     13.66     22.62      9.78 <
   8  26   0     20.31     17.34      6.83 <
  10  26   0     15.91     20.81      7.05 <
   2  27   0     35.98     35.92      4.20 o
   4  27   0     27.76     28.28      6.09 <
   6  27   0     71.11     68.42      3.65 o
   8  27   0     29.61     29.17      5.26 <
   0  28   0      0.00     13.74     84.19 <
   2  28   0      0.00      2.75     75.86 <
   4  28   0      8.02     17.98     16.55 <
   6  28   0     70.97     65.83      3.81 o
   8  28   0     13.61     10.98     11.04 <
   2  29   0     11.46     10.76      9.68 <
   4  29   0     15.27     17.09      9.01 <
   6  29   0     50.30     40.52      4.31 o
   8  29   0     16.84     27.48      9.02 <
   0  30   0     27.80     31.50      6.71 <
   2  30   0      6.96      8.93     15.78 <
   4  30   0      0.00      8.61     80.03 <
   6  30   0     34.37     32.14      5.43 o
   2  31   0     33.18     33.55      4.46 o
   4  31   0     28.98     29.99      5.26 <
   6  31   0     21.32     20.96      8.09 <
   0  32   0     25.52     35.06      7.51 <
   2  32   0     26.93     30.33      4.90 <
   4  32   0     42.92     43.00      4.26 o
   6  32   0     26.24     29.30      6.98 <
   2  33   0     22.11     26.55      5.90 <
   4  33   0     41.32     46.05      4.48 o
   0  34   0    103.16    115.87      4.10 o
   2  34   0     18.06     12.61      7.05 <
   1   0   1     11.83     16.07      3.62 <
   3   0   1     62.47     65.69      1.42 o
   5   0   1      8.65      9.40      4.25 <
   7   0   1     64.93     65.46      1.46 o
   9   0   1     19.62     20.60      2.67 o
  11   0   1    205.25    203.48      2.58 o
  13   0   1      4.21     10.55     20.98 <
   1   1   1     35.78     36.09      1.23 o
   3   1   1      0.00      2.02     37.45 <
   5   1   1     26.23     27.50      1.30 o
   7   1   1    100.02     99.84      1.27 o
   9   1   1      5.39      3.88      6.17 <
  11   1   1     22.17     20.98      2.33 o
  13   1   1      8.07      9.04      7.59 <
   1   2   1     21.67     22.00      1.82 o
   3   2   1    114.36    118.10      1.38 o
   5   2   1      5.02      3.68      5.44 <
   7   2   1     86.45     87.31      1.17 o
   9   2   1     20.45     21.68      1.89 o
  11   2   1     21.16     24.68      2.53 o
  13   2   1     12.41      7.28      5.20 <
   1   3   1     45.64     44.54      1.34 o
   3   3   1    169.03    171.32      1.82 o
   5   3   1     39.13     39.63      1.30 o
   7   3   1     56.92     58.35      1.11 o
   9   3   1     10.81      8.21      3.55 <
  11   3   1      9.87     11.04      4.86 <
  13   3   1     14.05     10.97      4.36 <
   1   4   1    126.42    119.10      1.62 o
   3   4   1    139.44    141.58      1.60 o
   5   4   1      2.39      4.76     13.05 <
   7   4   1     11.76      9.66      2.57 <
   9   4   1     15.64     17.43      2.50 o
  11   4   1     15.21     19.19      3.56 <
  13   4   1      5.13      1.15     12.11 <
   1   5   1    133.81    127.39      1.59 o
   3   5   1     18.61     18.84      1.92 o
   5   5   1     93.98     96.31      1.31 o
   7   5   1     27.77     28.55      1.39 o
   9   5   1     12.12     14.74      3.29 <
  11   5   1     18.39     13.27      3.07 o
  13   5   1      6.09      2.60      8.30 <
   1   6   1     48.96     46.05      1.27 o
   3   6   1     50.92     51.32      1.24 o
   5   6   1    161.82    162.54      1.84 o
   7   6   1     13.51     14.79      2.54 <
   9   6   1     19.57     22.54      2.28 o
  11   6   1     17.42     17.95      3.11 <
  13   6   1      0.00      3.27     52.68 <
   1   7   1     20.15     22.97      2.06 o
   3   7   1      3.26      1.40      9.08 <
   5   7   1    127.20    127.71      1.53 o
   7   7   1     13.20     16.17      2.67 <
   9   7   1     89.71     90.11      1.37 o
  11   7   1     13.34     13.73      3.80 <
  13   7   1     46.81     45.77      1.93 o
   1   8   1      9.22     10.46      4.03 <
   3   8   1     32.41     31.60      1.37 o
   5   8   1      0.84      0.95     41.47 <
   7   8   1      4.49      8.11      7.67 <
   9   8   1    127.53    125.95      1.61 o
  11   8   1      4.42      1.69     11.37 <
  13   8   1    116.50    114.67      1.77 o
   1   9   1     24.56     25.65      1.87 o
   3   9   1      7.28      9.66      4.29 <
   5   9   1     42.68     42.03      1.34 o
   7   9   1      3.92      4.14      9.25 <
   9   9   1     78.18     77.80      1.38 o
  11   9   1     19.36     16.74      2.98 o
  13   9   1     41.95     41.25      2.25 o
   1  10   1     18.33     18.23      2.34 o
   3  10   1     10.76      9.65      3.00 <
   5  10   1     76.35     76.80      1.30 o
   7  10   1     15.28     15.01      2.71 <
   9  10   1    105.62    106.45      1.48 o
  11  10   1      4.65      8.63     11.55 <
  13  10   1     66.71     63.17      1.85 o
   1  11   1     65.38     64.09      1.38 o
   3  11   1     41.06     39.84      1.24 o
   5  11   1    106.33    106.53      1.44 o
   7  11   1      7.94      8.64      5.23 <
   9  11   1     49.41     46.44      1.60 o
  11  11   1     17.55     17.22      3.40 <
  13  11   1     33.23     31.62      2.36 o
   1  12   1    173.16    165.65      1.95 o
   3  12   1     16.31     18.26      2.28 o
   5  12   1     65.72     65.97      1.36 o
   7  12   1     33.19     36.01      1.82 o
   9  12   1     32.07     33.27      1.97 o
  11  12   1     16.46     15.20      3.38 <
  13  12   1     11.87      7.08      5.78 <
   1  13   1    138.59    132.51      1.68 o
   3  13   1    115.81    114.52      1.47 o
   5  13   1     20.01     22.40      2.21 o
   7  13   1     11.19     13.41      4.13 <
   9  13   1     11.65     10.48      4.60 <
  11  13   1      6.97      6.74      8.08 <
  13  13   1     21.25     20.95      3.23 o
   1  14   1     27.96     27.22      1.92 o
   3  14   1    103.67    105.42      1.45 o
   5  14   1      8.02      3.76      5.27 <
   7  14   1     62.15     63.25      1.53 o
   9  14   1     19.71     19.05      2.73 o
  11  14   1     31.47     32.16      2.27 o
  13  14   1      3.41      1.89     20.24 <
   1  15   1     10.02      5.08      4.63 <
   3  15   1     30.41     29.26      1.75 o
   5  15   1     11.87     16.36      3.86 <
   7  15   1    117.69    121.11      1.66 o
   9  15   1      3.79      4.33     13.60 <
  11  15   1     14.05     15.62      4.36 <
  13  15   1     14.04      5.39      5.52 <
   1  16   1      5.99      7.39      8.31 <
   3  16   1      3.55      1.81     13.03 <
   5  16   1     14.92     17.35      3.42 <
   7  16   1     75.88     78.81      1.57 o
   9  16   1      1.67      6.65     30.03 <
  11  16   1    103.89    105.29      1.79 o
  13  16   1     15.13     16.31      5.16 <
   1  17   1      8.62      8.84      6.45 <
   3  17   1     19.52     21.92      2.93 o
   5  17   1      0.00      2.55     48.86 <
   7  17   1      5.26      6.87      9.92 <
   9  17   1     21.17     20.38      2.95 o
  11  17   1     15.89      9.02      4.31 <
   1  18   1     13.41     12.07      4.34 <
   3  18   1      6.70      7.30      8.10 <
   5  18   1     35.95     38.38      1.91 o
   7  18   1     89.60     91.06      1.65 o
   9  18   1      5.40      6.52     10.58 <
  11  18   1     72.92     73.53      1.98 o
   1  19   1     43.55     41.70      1.94 o
   3  19   1     78.96     80.41      1.60 o
   5  19   1     13.15     11.64      4.20 <
   7  19   1    115.08    116.98      1.75 o
   9  19   1     18.10     20.67      3.58 <
  11  19   1      9.73      3.10      7.57 <
   1  20   1     61.72     57.74      1.72 o
   3  20   1    103.76    104.76      1.67 o
   5  20   1     37.91     42.57      2.40 o
   7  20   1     36.31     37.95      2.32 o
   9  20   1      0.45      5.06     57.14 <
  11  20   1     15.71     14.65      5.14 <
   1  21   1    110.69    111.80      1.81 o
   3  21   1     29.30     28.56      2.38 o
   5  21   1     21.24     23.35      3.19 o
   7  21   1     16.29     12.27      4.05 <
   9  21   1     23.42     26.91      3.44 o
  11  21   1     16.99     13.68      4.80 <
   1  22   1     75.40     77.42      1.83 o
   3  22   1     12.21      9.89      5.47 <
   5  22   1     66.02     67.51      1.90 o
   7  22   1      8.21      9.93      7.83 <
   9  22   1      6.80      6.75     10.85 <
  11  22   1      5.24      4.08     16.08 <
   1  23   1     56.07     55.37      2.02 o
   3  23   1     14.07     12.58      5.13 <
   5  23   1     65.51     67.55      1.97 o
   7  23   1     11.22     18.63      6.62 <
   9  23   1     44.94     47.16      2.56 o
   1  24   1     27.35     27.20      2.84 o
   3  24   1     13.36     18.22      5.54 <
   5  24   1     29.35     29.84      3.07 o
   7  24   1      5.02      5.74     15.11 <
   9  24   1     54.10     56.43      2.43 o
   1  25   1     18.99     19.60      3.99 <
   3  25   1     13.93     13.20      5.44 <
   5  25   1     27.05     27.89      3.30 o
   7  25   1     33.16     36.75      2.92 o
   9  25   1     24.97     26.65      3.88 o
   1  26   1     37.58     38.27      2.48 o
   3  26   1     14.40     12.33      5.67 <
   5  26   1     19.06     15.27      4.49 <
   7  26   1     13.78     16.49      5.97 <
   9  26   1     99.79     99.95      2.05 o
   1  27   1     15.46     11.27      4.74 <
   3  27   1     37.43     37.97      2.87 o
   5  27   1     82.14     78.87      2.23 o
   7  27   1     23.26     20.16      4.21 <
   9  27   1     33.50     31.14      3.42 o
   1  28   1     70.86     71.25      2.05 o
   3  28   1      0.00      6.30     62.77 <
   5  28   1     71.47     65.14      2.46 o
   7  28   1     17.59     15.88      5.37 <
   1  29   1     50.56     47.14      2.52 o
   3  29   1     35.72     37.78      3.30 o
   5  29   1     40.76     38.06      3.37 o
   7  29   1      0.95      8.54     72.02 <
   1  30   1     38.76     36.78      2.87 o
   3  30   1     42.15     41.82      2.92 o
   5  30   1     37.26     35.22      3.73 o
   7  30   1     17.09      9.78      6.77 <
   1  31   1     35.72     35.16      2.99 o
   3  31   1     60.29     60.08      2.64 o
   5  31   1     14.55     13.63      7.35 <
   1  32   1     13.08      8.25      6.26 <
   3  32   1     53.81     52.06      2.71 o
   5  32   1     28.32     27.30      4.37 o
   1  33   1     21.63     23.10      4.13 <
   3  33   1     26.37     29.94      3.98 o
   0   0   2    265.20    280.55      3.82 o
   2   0   2      5.87      2.29     11.59 <
   4   0   2     84.72     87.52      2.05 o
   6   0   2     10.37      5.69      6.00 <
   8   0   2     53.55     54.11      2.31 o
  10   0   2     10.40     13.52      7.18 <
  12   0   2      3.29      5.71     25.30 <
   2   1   2      0.00      0.08     52.84 <
   4   1   2    107.97    113.49      1.63 o
   6   1   2      4.05      1.45     10.90 <
   8   1   2     14.89     15.35      3.75 <
  10   1   2     13.78     11.71      4.04 <
  12   1   2     28.23     28.25      2.50 o
   0   2   2     23.81     17.01      4.33 <
   2   2   2      0.00      0.33     49.35 <
   4   2   2     74.25     75.97      1.45 o
   6   2   2      1.55      2.51     31.18 <
   8   2   2     93.56     97.04      1.53 o
  10   2   2      4.65      1.29     10.95 <
  12   2   2      8.60      1.42      7.07 <
   2   3   2      0.00      6.49     49.90 <
   4   3   2     33.76     33.83      1.83 o
   6   3   2     12.10      8.58      3.89 <
   8   3   2    106.59    110.24      1.56 o
  10   3   2     16.62     13.88      3.28 <
  12   3   2     34.89     37.46      2.39 o
   0   4   2     17.06     15.30      6.43 <
   2   4   2     11.23      1.08      5.25 <
   4   4   2      9.33      4.53      5.45 <
   6   4   2     10.68      8.43      4.25 <
   8   4   2     71.55     73.83      1.53 o
  10   4   2     59.71     57.96      1.66 o
  12   4   2     58.41     56.72      1.83 o
   2   5   2     22.65     23.15      2.44 o
   4   5   2     15.01     19.42      3.30 <
   6   5   2     48.83     49.88      1.53 o
   8   5   2     13.07     14.71      3.70 <
  10   5   2     79.60     81.73      1.55 o
  12   5   2     55.23     53.02      1.90 o
   0   6   2     12.90     16.26      6.60 <
   2   6   2      7.86      1.33      6.62 <
   4   6   2      0.00      5.06     51.26 <
   6   6   2    137.68    139.80      1.73 o
   8   6   2     12.44     13.71      4.05 <
  10   6   2     40.01     42.64      1.85 o
  12   6   2     25.67     24.84      2.95 o
   2   7   2    109.45    104.41      1.62 o
   4   7   2      0.00      1.02     49.24 <
   6   7   2    121.30    124.56      1.63 o
   8   7   2      7.51      8.50      7.52 <
  10   7   2     11.41     12.49      4.51 <
  12   7   2      6.28      0.90     10.17 <
   0   8   2     10.71      8.80      6.09 <
   2   8   2    180.27    173.91      2.07 o
   4   8   2      7.91      0.86      6.83 <
   6   8   2      8.08      6.12      6.18 <
   8   8   2      1.30      0.81     48.13 <
  10   8   2      9.67     16.21      5.32 <
  12   8   2     11.01     11.96      5.49 <
   2   9   2     99.82     95.04      1.56 o
   4   9   2     17.76     19.09      2.80 o
   6   9   2     55.27     54.05      1.60 o
   8   9   2      7.22      5.62      7.51 <
  10   9   2     21.99     20.42      2.66 o
  12   9   2     10.32      3.81      6.19 <
   0  10   2     27.54     26.67      2.52 o
   2  10   2    112.25    109.49      1.61 o
   4  10   2      5.74      6.50      8.00 <
   6  10   2     69.60     69.35      1.39 o
   8  10   2      7.91      5.82      6.20 <
  10  10   2      7.73      8.16      6.29 <
  12  10   2      6.97      7.06     10.13 <
   2  11   2     46.42     45.37      1.69 o
   4  11   2     18.34     20.59      2.90 o
   6  11   2     73.20     72.16      1.37 o
   8  11   2     17.94     20.95      2.91 o
  10  11   2     44.44     43.99      1.75 o
  12  11   2     17.95     20.21      3.80 <
   0  12   2     36.53     37.31      2.30 o
   2  12   2     20.02     21.11      2.76 o
   4  12   2     22.43     24.53      2.46 o
   6  12   2     50.38     49.35      1.47 o
   8  12   2      3.87      5.38     12.95 <
  10  12   2     87.10     88.15      1.53 o
  12  12   2     84.25     80.76      1.83 o
   2  13   2     18.17     18.28      3.07 <
   4  13   2     28.59     27.96      2.07 o
   6  13   2      3.97      4.19     12.11 <
   8  13   2     69.92     71.96      1.63 o
  10  13   2     70.71     70.42      1.66 o
  12  13   2     77.36     75.06      1.87 o
   0  14   2     60.02     58.27      2.26 o
   2  14   2      0.00      8.15     51.31 <
   4  14   2     47.92     48.47      1.61 o
   6  14   2      0.00      4.20     49.12 <
   8  14   2     88.91     89.70      1.64 o
  10  14   2     24.76     21.26      2.83 o
  12  14   2     19.19     22.20      3.89 <
   2  15   2      6.39      3.03      8.56 <
   4  15   2    129.11    130.67      1.69 o
   6  15   2     12.72      8.29      4.27 <
   8  15   2     27.72     27.25      2.38 o
  10  15   2      9.27      2.45      6.64 <
  12  15   2     14.39      7.24      5.27 <
   0  16   2    157.92    152.48      2.32 o
   2  16   2     19.92     22.27      3.12 o
   4  16   2     92.98     92.71      1.50 o
   6  16   2     19.23     18.37      2.97 o
   8  16   2     10.68      7.30      5.47 <
  10  16   2      8.20     14.06      7.69 <
   2  17   2     27.75     26.82      2.20 o
   4  17   2      0.00      2.47     52.49 <
   6  17   2     14.36     12.80      3.79 <
   8  17   2     13.81     11.52      4.36 <
  10  17   2      5.37      9.70     12.68 <
   0  18   2     90.85     91.69      2.09 o
   2  18   2     25.54     25.82      2.35 o
   4  18   2     86.49     88.24      1.61 o
   6  18   2     29.83     30.07      2.40 o
   8  18   2     10.33     12.25      6.00 <
  10  18   2      0.00      1.57     57.53 <
   2  19   2     27.31     27.79      2.31 o
   4  19   2    105.08    106.34      1.71 o
   6  19   2      9.21      2.05      7.29 <
   8  19   2     56.21     53.57      2.09 o
  10  19   2     28.95     28.33      3.12 o
   0  20   2     12.26     14.69      6.84 <
   2  20   2     10.81     10.47      5.21 <
   4  20   2     42.46     40.77      2.08 o
   6  20   2     36.21     36.79      2.30 o
   8  20   2     69.74     67.95      1.97 o
  10  20   2     26.32     27.12      3.55 o
   2  21   2     35.29     36.87      2.20 o
   4  21   2      0.00      8.30     56.19 <
   6  21   2      7.79      5.67      8.53 <
   8  21   2     25.91     23.76      3.13 o
  10  21   2     73.47     71.77      2.23 o
   0  22   2     11.37     10.42      9.48 <
   2  22   2     15.90     17.94      4.24 <
   4  22   2      7.75      1.03      8.75 <
   6  22   2     56.11     56.23      1.98 o
   8  22   2     15.22     13.37      5.12 <
   2  23   2     52.50     50.99      2.04 o
   4  23   2     24.31     24.99      3.55 o
   6  23   2     69.42     67.75      2.00 o
   8  23   2     12.40      4.12      6.94 <
   0  24   2     38.87     39.50      3.06 o
   2  24   2     78.06     75.44      2.13 o
   4  24   2      3.32      1.76     20.83 <
   6  24   2     25.65     25.92      3.88 o
   8  24   2     22.96     25.69      3.95 <
   2  25   2     29.65     30.75      3.33 o
   4  25   2     41.56     42.29      2.46 o
   6  25   2     16.83     17.32      4.93 <
   8  25   2     11.16      8.20      8.02 <
   0  26   2     34.43     31.92      3.70 o
   2  26   2    111.59    112.93      1.95 o
   4  26   2     11.11     11.08      7.15 <
   6  26   2     17.40     19.40      4.79 <
   2  27   2     33.38     31.25      2.94 o
   4  27   2     22.00     23.44      4.17 <
   6  27   2     61.38     59.23      2.38 o
   0  28   2     20.09     10.77      6.62 <
   2  28   2     18.85      2.38      5.05 <
   4  28   2     13.41     15.28      6.59 <
   6  28   2     60.78     57.13      2.49 o
   2  29   2     16.94      8.90      5.42 <
   4  29   2     13.51     14.33      6.51 <
   0  30   2     26.55     26.59      5.36 <
   2  30   2     12.31      7.64      6.95 <
   4  30   2     13.19      7.26      6.88 <
   2  31   2     29.47     28.53      3.47 o
   1   0   3     14.42      7.48      7.95 <
   3   0   3     42.61     40.74      4.13 o
   5   0   3      4.45      7.35     27.00 <
   7   0   3     45.85     49.11      2.67 o
   9   0   3     13.63     13.51      7.32 <
  11   0   3    148.12    152.30      2.46 o
   1   1   3     29.21     24.20      3.09 o
   3   1   3      7.40      5.30     13.10 <
   5   1   3     13.28     16.65      6.64 <
   7   1   3     67.68     70.46      1.72 o
   9   1   3      6.24      4.23     10.60 <
  11   1   3     14.87     14.14      4.48 <
   1   2   3     13.47     11.88      5.44 <
   3   2   3     86.96     77.74      2.60 o
   5   2   3      0.00      4.27     61.62 <
   7   2   3     59.03     60.41      1.82 o
   9   2   3     15.12     14.58      4.61 <
  11   2   3     16.09     20.18      4.30 <
   1   3   3     31.79     30.59      2.76 o
   3   3   3    122.11    115.74      2.21 o
   5   3   3     21.67     24.49      3.99 <
   7   3   3     38.14     42.53      2.26 o
   9   3   3      4.39      4.29     15.26 <
  11   3   3      0.00      6.96     56.81 <
   1   4   3     80.57     81.02      1.95 o
   3   4   3     98.20     94.59      2.20 o
   5   4   3      0.00      0.32     64.69 <
   7   4   3      0.00      4.43     60.54 <
   9   4   3     13.18     12.68      5.27 <
  11   4   3     19.36     14.73      3.67 <
   1   5   3     89.17     88.95      1.92 o
   3   5   3     11.05     15.06      7.61 <
   5   5   3     63.09     64.71      2.19 o
   7   5   3     20.83     20.71      3.73 <
   9   5   3      6.80      8.39     10.84 <
  11   5   3      0.00      8.93     57.23 <
   1   6   3     32.36     34.25      3.36 o
   3   6   3     31.39     31.61      3.01 o
   5   6   3    112.67    111.77      2.06 o
   7   6   3     12.04      8.27      6.21 <
   9   6   3     13.01     16.89      5.58 <
  11   6   3     14.46     13.22      5.11 <
   1   7   3      5.31     13.08     13.14 <
   3   7   3      7.42      3.00     11.24 <
   5   7   3     86.25     89.83      2.04 o
   7   7   3      6.89     11.51     11.91 <
   9   7   3     62.30     63.71      2.04 o
  11   7   3     16.08      9.09      4.25 <
   1   8   3      5.04      9.88     14.36 <
   3   8   3     13.66     19.69      6.25 <
   5   8   3      8.20      2.46      9.79 <
   7   8   3      7.82      4.01     10.79 <
   9   8   3     95.73     93.62      2.12 o
   1   9   3     15.87     14.97      4.67 <
   3   9   3      0.00      4.23     63.91 <
   5   9   3     28.74     29.82      3.53 o
   7   9   3      4.06      3.06     19.85 <
   9   9   3     56.42     54.38      2.30 o
   1  10   3      8.70      8.77      7.76 <
   3  10   3      0.00      6.89     60.44 <
   5  10   3     51.73     53.14      2.18 o
   7  10   3      6.90      8.81     11.29 <
   9  10   3     78.39     77.63      2.20 o
   1  11   3     43.74     42.34      2.25 o
   3  11   3     25.43     24.73      3.38 o
   5  11   3     75.24     75.40      1.92 o
   7  11   3      0.00      5.51     62.35 <
   9  11   3     34.30     35.53      3.01 o
   1  12   3    112.90    114.48      1.76 o
   3  12   3     17.62     13.24      4.33 <
   5  12   3     49.07     48.10      2.16 o
   7  12   3     22.92     23.98      3.77 o
   9  12   3     21.80     23.38      4.32 <
   1  13   3     91.59     92.13      1.71 o
   3  13   3     82.77     78.87      1.89 o
   5  13   3     12.71     13.46      5.75 <
   7  13   3      9.13      7.75      8.28 <
   9  13   3      9.37      8.41      9.26 <
   1  14   3     20.74     20.34      3.30 o
   3  14   3     76.49     75.15      1.86 o
   5  14   3      0.00      3.88     59.39 <
   7  14   3     43.64     44.22      2.31 o
   9  14   3      6.60     13.57     13.12 <
   1  15   3      0.00      3.12     57.12 <
   3  15   3     24.24     23.90      3.38 o
   5  15   3     14.93      9.78      5.18 <
   7  15   3     87.34     87.53      2.11 o
   9  15   3      0.00      2.51     65.48 <
   1  16   3      4.91      6.57     13.42 <
   3  16   3      8.72      1.17      9.39 <
   5  16   3     12.87     11.07      5.75 <
   7  16   3     57.22     59.29      2.39 o
   9  16   3      7.77      5.03     11.51 <
   1  17   3      2.30      5.26     28.54 <
   3  17   3     13.46     13.65      5.58 <
   5  17   3     15.37      1.00      5.48 <
   7  17   3      9.14      5.16      9.76 <
   1  18   3      6.83      7.31      9.47 <
   3  18   3     10.16      4.76      7.72 <
   5  18   3     21.63     26.18      4.07 <
   7  18   3     67.95     66.32      2.40 o
   1  19   3     25.73     27.57      2.91 o
   3  19   3     59.82     57.01      1.97 o
   5  19   3     14.35      8.15      6.02 <
   7  19   3     88.81     86.25      2.25 o
   1  20   3     39.17     40.53      2.24 o
   3  20   3     79.12     76.41      1.98 o
   5  20   3     27.85     29.64      3.50 o
   7  20   3     30.14     29.03      3.56 o
   1  21   3     84.39     80.16      1.93 o
   3  21   3     22.59     22.48      3.83 <
   5  21   3     20.99     17.07      4.40 <
   7  21   3      9.66      8.43      9.38 <
   1  22   3     63.17     57.35      2.43 o
   3  22   3     10.45      8.13      7.58 <
   5  22   3     50.47     48.78      2.48 o
   1  23   3     41.81     41.01      2.73 o
   3  23   3     13.54      8.23      6.64 <
   5  23   3     53.41     51.36      2.52 o
   1  24   3     21.00     18.98      4.54 <
   3  24   3     10.85     13.83      8.24 <
   1  25   3     13.56     13.98      6.88 <
   3  25   3     14.24      8.56      7.86 <
   1  26   3     28.26     27.20      4.14 o
   0   0   4    162.30    184.80      3.39 o
   2   0   4      0.00      0.54     87.49 <
   4   0   4     58.95     55.65      4.97 o
   6   0   4      6.48      4.40     22.05 <
   2   1   4      0.00      2.33     75.32 <
   4   1   4     74.62     67.10      3.29 o
   6   1   4      8.65      0.86     12.20 <
   0   2   4     15.76     14.84      7.52 <
   2   2   4      8.92      0.85     12.65 <
   4   2   4     52.78     45.81      3.72 o
   6   2   4     16.54      3.65      7.57 <
   2   3   4      4.07      1.61     26.48 <
   4   3   4     18.19     24.09      7.31 <
   6   3   4     18.14      5.38      6.99 <
   0   4   4      6.88     11.24     19.22 <
   2   4   4      9.80      3.00     10.94 <
   4   4   4      0.00      3.76     77.65 <
   6   4   4      0.00      1.64     79.47 <
   2   5   4     11.74     10.89      8.31 <
   4   5   4     15.50     14.11      7.50 <
   6   5   4     31.92     31.92      3.98 o
   0   6   4      6.33     10.61     19.55 <
   2   6   4      8.72      2.44     10.84 <
   4   6   4      9.42      3.94     11.94 <
   6   6   4     85.49     84.54      2.48 o
   2   7   4     64.60     60.59      2.42 o
   4   7   4      0.00      2.28     76.49 <
   6   7   4     76.80     77.44      2.51 o
   0   8   4      0.00      2.91     70.39 <
   2   8   4    105.81    108.24      2.20 o
   4   8   4      0.00      1.46     73.72 <
   6   8   4      7.66      6.95     15.23 <
   2   9   4     59.50     53.56      2.33 o
   4   9   4     18.99     10.23      6.30 <
   6   9   4     34.05     32.96      3.77 o
   0  10   4      5.96     12.91     18.14 <
   2  10   4     71.52     68.29      2.23 o
   4  10   4      0.00      2.53     70.89 <
   6  10   4     42.88     42.66      3.10 o
   2  11   4     29.26     29.92      3.25 o
   4  11   4      7.67     10.30     12.48 <
   0  12   4     20.70     18.93      6.35 <
   2  12   4     17.63     13.38      5.44 <
   4  12   4     16.77     14.16      5.90 <
   2  13   4     17.70     12.08      5.33 <
   4  13   4     14.70     13.71      6.61 <
   0  14   4     32.21     32.84      4.42 o
   2  14   4      6.66      5.87     13.64 <
   4  14   4     26.82     29.83      3.89 o
   2  15   4      5.21      1.25     17.12 <
   0  16   4     93.75     96.04      2.64 o
   2  16   4     10.33     12.51      8.95 <
