data_[V8H4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7264]
_cell_length_b [11.5410]
_cell_length_c [6.6438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [V2HBr6]
_chemical_formula_sum '[V8 H4 Br24]'
_cell_volume [975.1659]
_cell_formula_units_Z [4]
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
[
  V  V0  8  0.2459  0.0897  0.0119  1
  H  H1  4  0.0000  0.0598  0.7500  1
  Br  Br2  8  0.1256  0.0806  0.6652  1
  Br  Br3  8  0.1325  0.2556  0.1270  1
  Br  Br4  8  0.1493  0.4303  0.6603  1
]