data_VBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   7.78
_cell_angle_alpha   117.89
_cell_angle_beta   117.89
_cell_angle_gamma   30.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBr2
_chemical_formula_sum   'V2 Br4'
_cell_volume   174.5
_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  V4  1  0.01  0.0  0.14  1.0
  V  V5  1  0.02  0.0  0.67  1.0
  Br  Br0  1  0.31  0.0  0.39  1.0
  Br  Br1  1  0.09  0.0  0.63  1.0
  Br  Br2  1  0.94  0.0  0.18  1.0
  Br  Br3  1  0.72  0.0  0.41  1.0

data_VBr2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.72
_cell_length_b   7.14
_cell_length_c   7.72
_cell_angle_alpha   62.98
_cell_angle_beta   76.06
_cell_angle_gamma   74.91
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VBr2
_chemical_formula_sum   'V2 Br4'
_cell_volume   174.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  0.24  0.27  1.0
  Br  Br1  2  0.0  0.19  0.01  1.0
  Br  Br2  2  0.0  0.35  0.22  1.0

V V Br Br Br Br