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#$Date: 2015-10-14 17:14:18 +0200 (Wed 14 de Oct de 2015) $
#$Revision: 168790 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/97/1539767.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_1539767
loop_
_publ_author_name
'Biyushkina, A.V.'
'Donika, F.G.'
'Mustya, I.G.'
'Radautsan, S.I.'
_publ_section_title
;
 Crystal structure of a single-stack polytype (1)B of Zn3 In2 S6
;
_journal_name_full
;
Izvestiya Akademii Nauk Moldavskoi SSR, Seriya Fiziko-Tekhnicheskikh i 
Matematicheskikh Nauk
;
_journal_page_first              68
_journal_page_last               70
_journal_volume                  3
_journal_year                    1989
_chemical_formula_sum            'In2 S6 Zn3'
_chemical_name_systematic        'In2 Zn3 S6'
_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                   3.87
_cell_length_b                   3.87
_cell_length_c                   18.9
_cell_volume                     245.140
_citation_journal_id_ASTM        IZFMBL
_cod_data_source_file            Biyushkina_IZFMBL_1989_604.cif
_cod_data_source_block           In2S6Zn3
_cod_original_cell_volume        245.1401
_cod_database_code               1539767
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
S2 S 0 0 0.3426 1 0.0
In1 In 0.3333 0.6667 0.051 1 0.0
In2 In 0.6667 0.3333 0.4168 1 0.0
S4 S 0.3333 0.6667 0.1822 1 0.0
Zn2 Zn 0 0 0.7964 1 0.0
S1 S 0 0 0 1 0.0
Zn3 Zn 0.3333 0.6667 0.6195 1 0.0
S3 S 0 0 0.666 1 0.0
S6 S 0.3333 0.6667 0.8362 1 0.0
S5 S 0.3333 0.6667 0.4942 1 0.0
Zn1 Zn 0 0 0.2195 1 0.0
