data_Zaccagnaite-3R
_audit_creation_method	'Created with CONVERT.DLL (www.crystalimpact.com)'
_audit_creation_date	2011-02-16
_audit_update_record	2011-02-16
_journal_coden_ASTM	?
_journal_year	?
_journal_volume	?
_journal_page_first	?
_journal_page_last	?
_publ_author_name	'?,'
_publ_section_title
;
' Zaccagnaite-3R'
;
_chemical_formula_sum	'O9.168 H6 C0.6 Zn1.8 Al1.2'
_chemical_name_common
;
Zaccagnaite-3R
;
_chemical_name_mineral
;
Zaccagnaite-3R
;
_chemical_formula_weight	310.012
_cell_length_a	 3.0662(0)
_cell_length_b	 3.0662(0)
_cell_length_c	22.6164(1)
_cell_angle_alpha	90.000
_cell_angle_beta	90.000
_cell_angle_gamma	120.000
_cell_volume	184.1(0)
_symmetry_int_tables_number	166
_symmetry_space_group_name_H-M	'R -3 m'
_symmetry_space_group_name_Hall	'-R_3_2"'

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 x-y,-y,-z
5 -x,-x+y,-z
6 y,x,-z
7 -x,-y,-z
8 y,-x+y,-z
9 x-y,x,-z
10 -x+y,y,z
11 x,x-y,z
12 -y,-x,z
13 0.667+x,0.333+y,0.333+z
14 0.667-y,0.333+x-y,0.333+z
15 0.667-x+y,0.333-x,0.333+z
16 0.667+x-y,0.333-y,0.333-z
17 0.667-x,0.333-x+y,0.333-z
18 0.667+y,0.333+x,0.333-z
19 0.667-x,0.333-y,0.333-z
20 0.667+y,0.333-x+y,0.333-z
21 0.667+x-y,0.333+x,0.333-z
22 0.667-x+y,0.333+y,0.333+z
23 0.667+x,0.333+x-y,0.333+z
24 0.667-y,0.333-x,0.333+z
25 0.333+x,0.667+y,0.667+z
26 0.333-y,0.667+x-y,0.667+z
27 0.333-x+y,0.667-x,0.667+z
28 0.333+x-y,0.667-y,0.667-z
29 0.333-x,0.667-x+y,0.667-z
30 0.333+y,0.667+x,0.667-z
31 0.333-x,0.667-y,0.667-z
32 0.333+y,0.667-x+y,0.667-z
33 0.333+x-y,0.667+x,0.667-z
34 0.333-x+y,0.667+y,0.667+z
35 0.333+x,0.667+x-y,0.667+z
36 0.333-y,0.667-x,0.667+z

loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_radius_bond
O	?	1.200
H	?	1.200
C	?	1.200
Zn	?	1.200
Al	?	1.200


loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_attached_hydrogens
_atom_site_calc_flag
_atom_site_thermal_displace_type
_atom_site_u_iso_or_equiv
O1 O  0.0000  0.0000  0.3772(1)  1.000 6 c ? d Uiso  0.0213(11)
H1 H  0.0000  0.0000  0.427(2)  1.000 6 c ? d Uiso  0.02128
C1 C  0.3333  0.6667  0.502(3)  0.100 6 c ? d Uiso  0.03166
O2 O  0.1144(15) -0.1144(15)  0.4989(18)  0.100 18 h ? d Uiso  0.032(6)
Wat O  0.1144(15) -0.1144(15)  0.4989(18)  0.076(2) 18 h ? d Uiso  0.032(6)
Zn1 Zn  0.0000  0.0000  0.0000  0.600 3 a ? d Uiso  0.0180(6)
Al1 Al  0.0000  0.0000  0.0000  0.400 3 a ? d Uiso  0.0180(6)

