data_BiPPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPPt2
_chemical_formula_sum   'Bi1 P1 Pt2'
_cell_volume   74.05
_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
  Bi  Bi0  1  0.17  0.0  0.0  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.59  0.61  0.82  1.0
  Pt  Pt3  1  0.59  0.39  0.82  1.0

data_BiPPt2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.63
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BiPPt2
_chemical_formula_sum   'Bi1 P1 Pt2'
_cell_volume   74.06
_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
  Bi  Bi0  1  -0.0  0.0  0.17  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.82  0.39  0.59  1.0

Bi P Pt Pt