data_B(PBr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   131.11
_cell_angle_beta   131.11
_cell_angle_gamma   71.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B(PBr)2
_chemical_formula_sum   'B1 P2 Br2'
_cell_volume   126.96
_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
  B  B0  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.94  1.0
  P  P4  1  0.0  0.0  0.97  1.0
  Br  Br1  1  0.0  0.53  0.48  1.0
  Br  Br2  1  0.53  0.0  0.48  1.0

data_B(PBr)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   125.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   B(PBr)2
_chemical_formula_sum   'B2 P4 Br4'
_cell_volume   253.92
_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
  B  B0  2  0.0  0.0  0.0  1.0
  P  P1  2  0.0  0.0  0.94  1.0
  P  P2  2  0.0  0.0  0.97  1.0
  Br  Br3  4  0.23  0.23  0.95  1.0

B P P Br Br