data_VBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   3.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   137.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBr
_chemical_formula_sum   'V2 Br2'
_cell_volume   81.41
_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  0.21  0.38  0.82  1.0
  V  V3  1  0.21  0.62  0.45  1.0
  Br  Br0  1  0.21  0.35  0.45  1.0
  Br  Br1  1  0.21  0.65  0.82  1.0

data_VBr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.27
_cell_length_b   4.42
_cell_length_c   6.06
_cell_angle_alpha   111.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VBr
_chemical_formula_sum   'V2 Br2'
_cell_volume   81.41
_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  0.32  0.38  0.38  1.0
  Br  Br1  2  0.32  0.65  0.65  1.0

V V Br Br
V V Br Br 0 2 o o o 1 3 o o o 