data_V2PBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29
_cell_length_b   8.29
_cell_length_c   8.29
_cell_angle_alpha   22.09
_cell_angle_beta   22.09
_cell_angle_gamma   22.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PBr
_chemical_formula_sum   'V2 P1 Br1'
_cell_volume   70.68
_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  V2  1  0.0  0.0  0.02  1.0
  V  V3  1  0.0  0.0  0.06  1.0
  P  P1  1  0.0  0.0  0.63  1.0
  Br  Br0  1  0.0  0.0  0.68  1.0

data_V2PBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   3.18
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   102.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2PBr
_chemical_formula_sum   'V4 P2 Br2'
_cell_volume   141.36
_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  -0.0  0.0  0.94  1.0
  V  V1  2  -0.0  0.0  0.98  1.0
  P  P2  2  -0.0  0.0  0.37  1.0
  Br  Br3  2  -0.0  0.0  0.32  1.0

V V P Br
V V P Br 0 1 o o o 2 3 o o o 