data_[W2Br8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  W  2.3600  1.3500  0.7667
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2056]
_cell_length_b [11.2993]
_cell_length_c [8.7428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [W(BrCl)4]
_chemical_formula_sum '[W2 Br8 Cl8]'
_cell_volume [722.0822]
_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  0.1343  0.7500  0.8577  1
  Br  Br1  4  0.4061  0.5687  0.3976  1
  Br  Br2  2  0.0977  0.7500  0.5657  1
  Br  Br3  2  0.4709  0.7500  0.9885  1
  Cl  Cl4  4  0.1392  0.5464  0.8719  1
  Cl  Cl5  2  0.1590  0.7500  0.1423  1
  Cl  Cl6  2  0.1771  0.2500  0.2374  1
]