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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/97/1539764.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1539764
loop_
_publ_author_name
'Biyushkina, A.V.'
'Donika, F.G.'
'Radautsan, S.I.'
_publ_section_title
;
 Crystal structure of a six-stack polytype Zn In2 S4 (VI)a
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              617
_journal_page_last               619
_journal_volume                  306
_journal_year                    1989
_chemical_formula_sum            'In2 S4 Zn'
_chemical_name_systematic        'In2 (Zn S4)'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   3.87
_cell_length_b                   3.87
_cell_length_c                   74.15
_cell_volume                     961.753
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Biyushkina_DANKAS_1989_820.cif
_cod_data_source_block           In2S4Zn1
_cod_original_cell_volume        961.7534
_cod_original_formula_sum        'In2 S4 Zn1'
_cod_database_code               1539764
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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_U_iso_or_equiv
S3 S-2 0 0 0.0804 1 0.0
S2 S-2 0.6667 0.3333 0.043 1 0.0
Zn2 Zn+2 0.3333 0.6667 0.176 1 0.0
S7 S-2 0.6667 0.3333 0.247 1 0.0
S6 S-2 0.3333 0.6667 0.2096 1 0.0
S8 S-2 0.3333 0.6667 0.2926 1 0.0
In2 In+3 0 0 0.1128 1 0.0
In3 In+3 0 0 0.2271 1 0.0
S5 S-2 0 0 0.1653 1 0.0
In4 In+3 0.6667 0.3333 0.2805 1 0.0
In1 In+3 0.3333 0.6667 0.061 1 0.0
S4 S-2 0.3333 0.6667 0.1246 1 0.0
S1 S-2 0 0 0 1 0.0
Zn1 Zn+2 0.6667 0.3333 0.0106 1 0.0
