data_V2BiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.77
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2BiBr
_chemical_formula_sum   'V2 Bi1 Br1'
_cell_volume   94.94
_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  V2  1  0.4  0.89  0.79  1.0
  V  V3  1  0.09  0.0  0.89  1.0
  Bi  Bi0  1  0.1  0.89  0.09  1.0
  Br  Br1  1  0.31  0.0  0.46  1.0

data_V2BiBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.77
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2BiBr
_chemical_formula_sum   'V2 Bi1 Br1'
_cell_volume   94.94
_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  V0  1  0.09  0.0  0.89  1.0
  V  V1  1  0.4  0.89  0.79  1.0
  Bi  Bi2  1  0.1  0.89  0.09  1.0
  Br  Br3  1  0.31  0.0  0.46  1.0

V V Bi Br
V V Bi Br 0 1 o + o 0 3 o + o 1 2 o - + 2 3 o + o 