data_PBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   152.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PBr2
_chemical_formula_sum   'P2 Br4'
_cell_volume   200.27
_cell_formula_units_Z   2
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
  P  P4  1  0.84  0.25  0.55  1.0
  P  P5  1  0.84  0.75  0.85  1.0
  Br  Br0  1  0.84  0.62  0.55  1.0
  Br  Br1  1  0.84  0.14  0.55  1.0
  Br  Br2  1  0.84  0.86  0.85  1.0
  Br  Br3  1  0.84  0.38  0.85  1.0

data_PBr2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.67
_cell_length_b   7.4
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   103.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PBr2
_chemical_formula_sum   'P2 Br4'
_cell_volume   200.27
_cell_formula_units_Z   2
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
  P  P0  2  0.25  0.15  0.25  1.0
  Br  Br1  2  0.14  0.15  0.14  1.0
  Br  Br2  2  0.38  0.85  0.38  1.0

P P Br Br Br Br