#------------------------------------------------------------------------------
#$Date: 2015-07-13 03:45:17 +0300 (Mon, 13 Jul 2015) $
#$Revision: 148996 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/74/1527423.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_1527423
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            'In2.16 S5 Zn1.65'
_chemical_name_systematic        'Zn1.685 In2.21 S5'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.851
_cell_length_b                   3.851
_cell_length_c                   30.85
_cell_volume                     396.217
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gnehm_JSSCBI_1972_1985.cif
_cod_data_source_block           In2.16S5Zn1.65
_cod_original_cell_volume        396.2168
_cod_database_code               1527423
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-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
S2 S-2 0 0 0.106 1 0.0
S4 S-2 0.3333 0.6667 0.794 1 0.0
In3 In+3 0 0 0.2529 1.01 0.0
Zn1 Zn+2 0.3333 0.6667 0.8757 1.05 0.0
Zn2 Zn+2 0.3333 0.6667 0.13 0.6 0.0
In1 In+3 0.3333 0.6667 0.13 0.27 0.0
S3 S-2 0.3333 0.6667 0.207 1 0.0
S1 S-2 0.3333 0.6667 0 1 0.0
S5 S-2 0 0 0.4 1 0.0
In2 In+3 0 0 0.0303 0.88 0.0
