data_VBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   3.3
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBr
_chemical_formula_sum   'V2 Br2'
_cell_volume   78.77
_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  V2  1  0.04  0.0  0.1  1.0
  V  V3  1  0.13  0.0  0.62  1.0
  Br  Br0  1  0.04  0.65  0.4  1.0
  Br  Br1  1  0.13  0.65  0.32  1.0

data_VBr
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.17
_cell_length_b   3.3
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   VBr
_chemical_formula_sum   'V2 Br2'
_cell_volume   78.77
_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  0.04  0.0  0.26  1.0
  Br  Br1  2  0.04  0.65  0.96  1.0

V V Br Br