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#$Date: 2015-07-13 03:24:27 +0300 (Mon, 13 Jul 2015) $
#$Revision: 148896 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/13/7221344.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_7221344
loop_
_publ_author_name
'Fenner, J.'
_publ_section_title
;
 Die Kristallstruktur des Zinnsulfidiodids Sn4 S I6
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              479
_journal_page_last               481
_journal_volume                  33
_journal_year                    1978
_chemical_formula_sum            'I6 S Sn4'
_chemical_name_systematic        'Sn4 S I6'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.42
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.129
_cell_length_b                   4.425
_cell_length_c                   25.148
_cell_volume                     1569.474
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Fenner_ZNBAD2_1978_692.cif
_cod_data_source_block           I6S1Sn4
_cod_chemical_formula_sum_orig   'I6 S1 Sn4'
_cod_database_code               7221344
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Sn2 Sn+2 0.22338 0 0.41563 1 0.0
S1 S-2 0.7752 0 0.0515 1 0.0
I4 I-1 0.93881 0.5 0.60127 1 0.0
I5 I-1 0.89694 0 0.75198 1 0.0
Sn1 Sn+2 0.29682 0 0.85471 1 0.0
I1 I-1 0.933 0 0.91848 1 0.0
I3 I-1 0.18002 0 0.68359 1 0.0
I6 I-1 0.1381 0.5 0.83523 1 0.0
I2 I-1 0.14283 0 0.5254 1 0.0
Sn3 Sn+2 0.36963 0 0.01813 1 0.0
Sn4 Sn+2 0.03477 0.5 0.71631 1 0.0