data_[W2S2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6935]
_cell_length_b [7.9780]
_cell_length_c [8.3760]
_cell_angle_alpha [77.7099]
_cell_angle_beta [75.8528]
_cell_angle_gamma [87.5202]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [WSCl4]
_chemical_formula_sum '[W2 S2 Cl8]'
_cell_volume [423.7605]
_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  2  0.1430  0.7627  0.7845  1.0
  S  S1  2  0.3035  0.9982  0.7143  1.0
  Cl  Cl2  2  0.0579  0.7320  0.5421  1.0
  Cl  Cl3  2  0.1440  0.6724  0.0658  1.0
  Cl  Cl4  2  0.1954  0.1634  0.1233  1.0
  Cl  Cl5  2  0.3953  0.5636  0.7317  1.0
]