data_global
_chemical_name_mineral 'Tungstenite'
loop_
_publ_author_name
'Schutte W J'
'de Boer J L'
'Jellinek F'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 70 
_journal_year 1987
_journal_page_first 207
_journal_page_last 209
_publ_section_title
;
 Crystal structures of tungsten disulfide and diselenide
 Sample: 3R polytype
;
_database_code_amcsd 0013602
_chemical_formula_sum 'W S2'
_cell_length_a 3.158
_cell_length_b 3.158
_cell_length_c 18.49
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 159.695
_exptl_crystal_density_diffrn      7.736
_symmetry_space_group_name_H-M 'R 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
W   0.00000   0.00000   0.00000
S1   0.00000   0.00000   0.24970
S2   0.00000   0.00000   0.41900