data_V2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   150.07
_cell_angle_beta   150.07
_cell_angle_gamma   42.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Br
_chemical_formula_sum   'V2 Br1'
_cell_volume   49.8
_cell_formula_units_Z   1
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  V1  1  0.0  0.0  0.51  1.0
  V  V2  1  0.0  0.0  0.38  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_V2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   111.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2Br
_chemical_formula_sum   'V4 Br2'
_cell_volume   99.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.01  0.5  0.51  1.0
  V  V1  2  0.38  0.0  0.38  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

V V Br
V V Br 0 1 o o o 0 2 o o + 0 2 o o o 1 2 o o o 2 2 + o + 2 2 o + + 