data_P2BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   7.18
_cell_angle_alpha   126.29
_cell_angle_beta   126.29
_cell_angle_gamma   34.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2BrCl
_chemical_formula_sum   'P2 Br1 Cl1'
_cell_volume   108.0
_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
  P  P2  1  0.31  0.0  0.33  1.0
  P  P3  1  0.44  0.0  0.32  1.0
  Br  Br0  1  0.37  0.0  0.82  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_P2BrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.85
_cell_length_c   6.01
_cell_angle_alpha   74.57
_cell_angle_beta   73.45
_cell_angle_gamma   73.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2BrCl
_chemical_formula_sum   'P2 Br1 Cl1'
_cell_volume   108.0
_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
  P  P0  1  0.0  0.12  0.32  1.0
  P  P1  1  0.0  0.98  0.33  1.0
  Br  Br2  1  0.0  0.55  0.82  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

P P Br Cl