data_PBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24
_cell_length_b   9.24
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PBr3
_chemical_formula_sum   'P2 Br6'
_cell_volume   258.05
_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  P6  1  0.62  0.67  0.62  1.0
  P  P7  1  0.0  0.33  0.87  1.0
  Br  Br0  1  0.31  0.69  0.87  1.0
  Br  Br1  1  0.92  0.69  0.87  1.0
  Br  Br2  1  0.62  0.63  0.87  1.0
  Br  Br3  1  0.3  0.31  0.62  1.0
  Br  Br4  1  0.7  0.31  0.62  1.0
  Br  Br5  1  0.0  0.37  0.62  1.0

data_PBr3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.49
_cell_length_b   9.24
_cell_length_c   9.24
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PBr3
_chemical_formula_sum   'P2 Br6'
_cell_volume   258.05
_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  0.37  0.31  0.17  1.0
  Br  Br1  2  0.37  0.39  0.81  1.0
  Br  Br2  2  0.37  0.69  0.87  1.0
  Br  Br3  2  0.37  0.99  0.81  1.0

P P Br Br Br Br Br Br