data_Bi2PPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   140.34
_cell_angle_beta   140.34
_cell_angle_gamma   57.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2PPt
_chemical_formula_sum   'Bi2 P1 Pt1'
_cell_volume   92.7
_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  0.0  0.0  0.37  1.0
  Bi  Bi1  1  0.0  0.08  0.69  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.08  0.0  0.69  1.0

data_Bi2PPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   6.12
_cell_angle_alpha   109.83
_cell_angle_beta   109.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2PPt
_chemical_formula_sum   'Bi2 P1 Pt1'
_cell_volume   92.7
_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  0.39  0.08  0.39  1.0
  Bi  Bi1  1  0.63  0.0  0.63  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.31  0.0  0.39  1.0

Bi Bi P Pt
Bi Bi P Pt 0 1 o o o 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o + 2 3 o o - 