data_[H8W8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  W  2.3600  1.3500  0.7667
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2554]
_cell_length_b [15.3212]
_cell_length_c [6.0337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HWBr3]
_chemical_formula_sum '[H8 W8 Br24]'
_cell_volume [1311.6347]
_cell_formula_units_Z [8]
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
[
  H  H0  8  0.1822  0.4564  0.6241  1
  W  W1  4  0.0000  0.2342  0.2500  1
  W  W2  4  0.0000  0.2342  0.7500  1
  Br  Br3  8  0.0740  0.3539  0.0687  1
  Br  Br4  8  0.0752  0.1153  0.0697  1
  Br  Br5  8  0.1488  0.2329  0.6384  1
]