data_P2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2PtBr
_chemical_formula_sum   'P2 Pt1 Br1'
_cell_volume   70.11
_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  P1  1  0.29  0.25  0.51  1.0
  P  P2  1  0.29  0.75  0.51  1.0
  Pt  Pt3  1  0.58  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_P2PtBr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.16
_cell_length_b   3.02
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   119.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   P2PtBr
_chemical_formula_sum   'P2 Pt1 Br1'
_cell_volume   70.11
_cell_formula_units_Z   1
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  1  0.25  0.5  0.96  1.0
  P  P1  1  0.75  0.5  0.46  1.0
  Pt  Pt2  1  0.0  0.0  0.42  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

P P Pt Br