data_[W4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.1907]
_cell_length_b [3.1907]
_cell_length_c [38.4048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [WS2]
_chemical_formula_sum '[W4 S8]'
_cell_volume [338.6075]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  W  W0  2  0.3333  0.6667  0.2226  1.0
  W  W1  2  0.3333  0.6667  0.5925  1.0
  S  S2  2  0.3333  0.6667  0.4485  1.0
  S  S3  2  0.3333  0.6667  0.8183  1.0
  S  S4  2  0.3333  0.6667  0.3666  1.0
  S  S5  2  0.3333  0.6667  0.7364  1.0
]