#------------------------------------------------------------------------------
#$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $
#$Revision: 177123 $
#$URL: svn://www.crystallography.net/cod/cif/5/91/02/5910205.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_5910205
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
Page 82 from the Structure of Crystals, vol. 4 by Wyckoff R W G. 
published by Interscience Publishers, Inc. in 1951 
;
_journal_name_full               'The Structure of Crystals'
_journal_page_first              82
_journal_page_last               82
_journal_volume                  4
_journal_year                    1951
_chemical_formula_structural     Na4S2O8NaClNaF
_chemical_formula_sum            'Cl F Na6 O8 S2'
_chemical_name_systematic        sulfohalite
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_audit_creation_date             2006-30-10
_audit_creation_method
;
Page 82 from the Structure of Crystals, vol. 4 by Wyckoff R W G. 
published by Interscience Publishers, Inc. in 1951 
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.10
_cell_length_b                   10.10
_cell_length_c                   10.10
_cell_volume                     1030.301
_cod_original_formula_sum        'Na6 S2 O8 Cl F'
_cod_database_code               5910205
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loop_
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_label
0.00000 0.00000 0.00000 F
0.50000 0.50000 0.50000 Cl
0.25000 0.25000 0.25000 S1
0.75000 0.75000 0.75000 S2
0.22600 0.00000 0.00000 Na1
0.00000 0.22600 0.00000 Na2
0.00000 0.00000 0.22600 Na3
-0.22600 0.00000 0.00000 Na4
0.00000 -0.22600 0.00000 Na5
0.00000 0.00000 -0.22600 Na6
0.16400 0.16400 0.16400 O1
0.16400 -0.16400 -0.16400 O2
-0.16400 0.16400 -0.16400 O3
-0.16400 -0.16400 0.16400 O4
-0.16400 -0.16400 -0.16400 O5
-0.16400 0.16400 0.16400 O6
0.16400 -0.16400 0.16400 O7
0.16400 0.16400 -0.16400 O8
