data_[V2Br4]
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 [P-1]
_cell_length_a [4.3483]
_cell_length_b [6.7428]
_cell_length_c [19.2856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [91.0490]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [VBr2]
_chemical_formula_sum '[V2 Br4]'
_cell_volume [565.3489]
_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
[
  V  V0  2  0.1961  0.4565  0.0197  1
  Br  Br1  2  0.0104  0.2586  0.1111  1
  Br  Br2  2  0.4939  0.2594  0.9356  1
]