#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/98/1539811.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_1539811
loop_
_publ_author_name
'Donika, F.G.'
'Semiletov, S.A.'
'Radautsan, S.I.'
'Mustya, I.G.'
'Donika, T.V.'
'Kiosse, G.A.'
_publ_section_title
;
 Crystal structure of the double-pack polytype Zn In2 S4 (II)a, and more
 careful determination of the structure of the triple-pack polytype Zn In2
 S4 (III)a
;
_journal_name_full
'Soviet Physics, Crystallography (= Kristallografiya)'
_journal_page_first              190
_journal_page_last               192
_journal_volume                  16
_journal_year                    1971
_chemical_formula_sum            'In2 S4 Zn'
_chemical_name_systematic        'In2 (Zn S4)'
_space_group_IT_number           164
_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            2
_cell_length_a                   3.85
_cell_length_b                   3.85
_cell_length_c                   24.68
_cell_volume                     316.809
_citation_journal_id_ASTM        SPHCA6
_cod_data_source_file            Donika_SPHCA6_1971_1308.cif
_cod_data_source_block           In2S4Zn1
_cod_original_cell_volume        316.8088
_cod_original_formula_sum        'In2 S4 Zn1'
_cod_database_code               1539811
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,-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
In1 In+3 0 0 0.25 1 0.0
S3 S-2 0.3333 0.6667 0.1938 1 0.0
Zn1 Zn+2 0.3333 0.6667 0.594 1 0.0
S4 S-2 0.3333 0.6667 0.9375 1 0.0
In2 In+3 0.3333 0.6667 0.0941 1 0.0
S1 S-2 0.3333 0.6667 0.6935 1 0.0
S2 S-2 0.3333 0.6667 0.4375 1 0.0
