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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/37/8103710.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_8103710
loop_
_publ_author_name
'Lappe, F.'
'Niggli, A.'
'Nitsche, R.'
'White, J.G.'
_publ_section_title
;
 The crystal structure of In2 Zn S4
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              146
_journal_page_last               152
_journal_volume                  117
_journal_year                    1962
_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            3
_cell_length_a                   3.85
_cell_length_b                   3.85
_cell_length_c                   37.06
_cell_volume                     475.727
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Lappe_ZEKGAX_1962_393.cif
_cod_data_source_block           In2S4Zn1
_cod_original_cell_volume        475.7267
_cod_original_formula_sum        'In2 S4 Zn1'
_cod_database_code               8103710
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 0.459 1 0.0
S2 S-2 0 0 0.294 1 0.0
S4 S-2 0 0 0.872 1 0.0
S1 S-2 0 0 0.04 1 0.0
Zn1 Zn+2 0 0 0.396 1 0.0
In1 In+3 0 0 0.166 1 0.0
In2 In+3 0 0 0.937 1 0.0
