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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/1/52/73/1527302.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_1527302
loop_
_publ_author_name
'Donika, F.G.'
'Kiosse, G.A.'
'Radautsan, S.I.'
'Semiletov, S.A.'
'Mustya, I.G.'
_publ_section_title
;
 Crystal structure of the two pack polytypic form Zn In2 S4(II)B
;
_journal_name_full               Kristallografiya
_journal_page_first              663
_journal_page_last               665
_journal_volume                  17
_journal_year                    1972
_chemical_formula_sum            'In2 S4 Zn'
_chemical_name_systematic        'Zn In2 S4'
_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                   3.85
_cell_length_b                   3.85
_cell_length_c                   24.68
_cell_volume                     316.809
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Donika_KRISAJ_1972_1907.cif
_cod_data_source_block           In2S4Zn1
_cod_original_cell_volume        316.8088
_cod_original_formula_sum        'In2 S4 Zn1'
_cod_database_code               1527302
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
In2 In+3 0.3333 0.6667 0.094 1 0.0
Zn1 Zn+2 0 0 0.406 1 0.0
In1 In+3 0.6667 0.3333 0.25 1 0.0
S4 S-2 0.6667 0.3333 0.438 1 0.0
S1 S-2 0 0 0.0625 1 0.0
S2 S-2 0.3333 0.6667 0.194 1 0.0
S3 S-2 0 0 0.306 1 0.0
