data_VPBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   126.25
_cell_angle_beta   126.25
_cell_angle_gamma   79.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPBr2
_chemical_formula_sum   'V1 P1 Br2'
_cell_volume   74.63
_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  0.22  0.0  0.89  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.78  1.0
  Br  Br1  1  0.0  0.22  0.89  1.0

data_VPBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.91
_cell_angle_alpha   116.88
_cell_angle_beta   116.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPBr2
_chemical_formula_sum   'V1 P1 Br2'
_cell_volume   74.63
_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  0.11  0.0  0.33  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.22  0.0  0.22  1.0
  Br  Br3  1  0.33  0.22  0.33  1.0

V P Br Br