data_[W2Se2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7672]
_cell_length_b [7.0801]
_cell_length_c [9.5103]
_cell_angle_alpha [76.5623]
_cell_angle_beta [74.0833]
_cell_angle_gamma [85.5471]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [WSeCl4]
_chemical_formula_sum '[W2 Se2 Cl8]'
_cell_volume [426.1443]
_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  0.1779  0.2030  0.2400  1.0
  Se  Se1  2  0.4151  0.2424  0.0183  1.0
  Cl  Cl2  2  0.0004  0.4943  0.2260  1.0
  Cl  Cl3  2  0.1004  0.9227  0.7999  1.0
  Cl  Cl4  2  0.2425  0.8900  0.3595  1.0
  Cl  Cl5  2  0.3363  0.3054  0.3931  1.0
]