data_VB2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   2.98
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   103.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VB2Br
_chemical_formula_sum   'V1 B2 Br1'
_cell_volume   49.68
_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  V3  1  0.0  0.0  0.0  1.0
  B  B0  1  0.53  0.49  0.83  1.0
  B  B1  1  0.23  0.49  0.62  1.0
  Br  Br2  1  0.88  0.0  0.72  1.0

data_VB2Br
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.06
_cell_length_b   2.98
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   103.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   VB2Br
_chemical_formula_sum   'V1 B2 Br1'
_cell_volume   49.68
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  B  B1  1  0.23  0.5  0.62  1.0
  B  B2  1  0.53  0.5  0.83  1.0
  Br  Br3  1  0.88  0.0  0.72  1.0

V B B Br
V B B Br 0 3 - o - 1 2 o o o 