#------------------------------------------------------------------------------
#$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $
#$Revision: 177123 $
#$URL: svn://www.crystallography.net/cod/cif/5/91/00/5910003.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_5910003
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
Pages 233 & 239 from the second edition of Structure of Crystals by Wyckoff
R W G. Published by The Chemical Catalog Company, INC, New York in 1931.
;
_journal_name_full               'The second edition of Structure of Crystals'
_journal_page_first              233
_journal_page_last               239
_journal_year                    1931
_chemical_formula_structural     WS2
_chemical_formula_sum            'S2 W'
_chemical_name_systematic        'Tungsten disulphide'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_audit_creation_date             2005-03-11
_audit_creation_method
;
Pages 233 & 239 from the second edition of Structure of Crystals by Wyckoff
R W G. Published by The Chemical Catalog Company, INC, New York in 1931.
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.18
_cell_length_b                   3.18
_cell_length_c                   12.5
_cell_volume                     109.470
_cod_original_sg_symbol_H-M      'P63/m m c'
_cod_original_formula_sum        'W S2'
_cod_database_code               5910003
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
y,-x+y,z+1/2
-y,x-y,z
-x+y,-x,z
x-y,-y,-z
-x,-x+y,-z
-x,-y,z+1/2
y,x,-z
-y,-x,-z+1/2
-x+y,y,-z+1/2
x,x-y,-z+1/2
-x,-y,-z
-x+y,-x,-z+1/2
-y,x-y,-z+1/2
y,-x+y,-z
x-y,x,-z
-x+y,y,z
x,x-y,z
x,y,-z+1/2
-y,-x,z
y,x,z+1/2
x-y,-y,z+1/2
-x,-x+y,z+1/2
loop_
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_label
0.333333 0.666667 0.25000 W
0.333333 0.666667 0.62000 S
