# generated using pymatgen
data_WS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02550955
_cell_length_b   3.02550955
_cell_length_c   8.18080000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999016
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WS
_chemical_formula_sum   'W2 S2'
_cell_volume   64.85201977
_cell_formula_units_Z   2
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  1  0.66666700  0.33333300  0.53628700  1.0
  W  W1  1  0.33333300  0.66666700  0.03628700  1.0
  S  S2  1  0.66666700  0.33333300  0.84071300  1.0
  S  S3  1  0.33333300  0.66666700  0.34071300  1.0