#------------------------------------------------------------------------------
#$Date: 2015-07-13 03:45:34 +0300 (Mon, 13 Jul 2015) $
#$Revision: 148997 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/74/1527424.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_1527424
loop_
_publ_author_name
'Gnehm, C.'
'Niggli, A.'
_publ_section_title
;
 Crystal Structures in the System Zn-In-S
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              118
_journal_page_last               125
_journal_volume                  5
_journal_year                    1972
_chemical_formula_sum            'In1.53 S8 Zn4.1'
_chemical_name_systematic        'Zn4.10 In1.53 S8'
_space_group_IT_number           156
_symmetry_space_group_name_Hall  'P 3 -2"'
_symmetry_space_group_name_H-M   'P 3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.857
_cell_length_b                   3.857
_cell_length_c                   24.961
_cell_volume                     321.582
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gnehm_JSSCBI_1972_1986.cif
_cod_data_source_block           In1.53S8Zn4.1
_cod_original_cell_volume        321.5822
_cod_database_code               1527424
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
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
Zn2 Zn+2 0 0 0.156 0.58 0.0
In4 In+3 0 0 0.834 0.4 0.0
Zn4 Zn+2 0 0 0.41 0.38 0.0
S4 S-2 0.6667 0.3333 0.378 1 0.0
Zn3 Zn+2 0.6667 0.3333 0.2864 1 0.0
S5 S-2 0 0 0.5042 1 0.0
Zn5 Zn+2 0.6667 0.3333 0.534 0.5 0.0
Zn6 Zn+2 0 0 0.834 0.6 0.0
S2 S-2 0.6667 0.3333 0.125 1 0.0
S7 S-2 0 0 0.736 1 0.0
S8 S-2 0.3333 0.6667 0.879 1 0.0
S6 S-2 0.6667 0.3333 0.62 1 0.0
Zn1 Zn+2 0.6667 0.3333 0.035 0.45 0.0
S1 S-2 0 0 0 1 0.0
In1 In+3 0 0 0.156 0.42 0.0
In2 In+3 0 0 0.41 0.62 0.0
S3 S-2 0 0 0.251 1 0.0
In3 In+3 0.3333 0.6667 0.6862 0.092 0.0
Zn7 Zn+2 0.3333 0.6667 0.975 0.59 0.0
