data_[W2Br10]
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
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [8.0460]
_cell_length_b [19.1766]
_cell_length_c [12.2496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [WBr5]
_chemical_formula_sum '[W2 Br10]'
_cell_volume [1890.0395]
_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  0.2500  0.5000  0.8687  1
  Br  Br1  4  0.2500  0.3911  0.7724  1
  Br  Br2  2  0.0000  0.5000  0.0000  1
  Br  Br3  2  0.0000  0.5000  0.5000  1
  Br  Br4  2  0.2500  0.5000  0.3701  1
]