data_Pd2PtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   131.46
_cell_angle_beta   130.11
_cell_angle_gamma   72.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2PtPb
_chemical_formula_sum   'Pd2 Pt1 Pb1'
_cell_volume   69.95
_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
  Pd  Pd1  1  0.05  0.0  0.02  1.0
  Pd  Pd2  1  0.0  0.11  0.02  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.0  0.04  1.0

data_Pd2PtPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.21
_cell_length_c   5.0
_cell_angle_alpha   114.94
_cell_angle_beta   114.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2PtPb
_chemical_formula_sum   'Pd2 Pt1 Pb1'
_cell_volume   69.95
_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
  Pd  Pd0  1  0.0  0.02  0.97  1.0
  Pd  Pd1  1  0.89  0.91  0.91  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.04  0.04  1.0

Pd Pd Pt Pb
Pd Pd Pt Pb 0 2 o o o 0 1 o o o 1 2 o o o 2 3 o o o 