data_Bi2PdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2PdPt
_chemical_formula_sum   'Bi2 Pd1 Pt1'
_cell_volume   86.92
_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  0.74  0.22  0.75  1.0
  Bi  Bi1  1  0.74  0.78  0.75  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.48  0.0  0.0  1.0

data_Bi2PdPt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.49
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Bi2PdPt
_chemical_formula_sum   'Bi2 Pd1 Pt1'
_cell_volume   86.94
_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  2  0.75  0.22  0.74  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.48  1.0

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