data_[V4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P222_1]
_cell_length_a [6.6554]
_cell_length_b [20.0604]
_cell_length_c [8.6684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [17]
_chemical_formula_structural [VBr2]
_chemical_formula_sum '[V4 Br8]'
_cell_volume [1157.3126]
_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  2  0.0000  0.0260  0.2500  1
  V  V1  2  0.5000  0.0070  0.7500  1
  Br  Br2  4  0.2840  0.0817  0.1235  1
  Br  Br3  2  0.2155  0.0000  0.5000  1
  Br  Br4  2  0.5000  0.1261  0.7500  1
]