data_VBBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   3.95
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   113.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBBr2
_chemical_formula_sum   'V1 B1 Br2'
_cell_volume   81.58
_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  0.17  0.97  0.0  1.0
  B  B0  1  0.17  0.0  0.82  1.0
  Br  Br1  1  0.41  0.97  0.11  1.0
  Br  Br2  1  0.45  0.0  0.87  1.0

data_VBBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.55
_cell_length_c   4.94
_cell_angle_alpha   113.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBBr2
_chemical_formula_sum   'V1 B1 Br2'
_cell_volume   81.58
_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  0.03  0.83  1.0  1.0
  B  B1  1  0.0  0.83  0.18  1.0
  Br  Br2  1  0.0  0.55  0.13  1.0
  Br  Br3  1  0.03  0.59  0.89  1.0

V B Br Br