data_Pd2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   6.86
_cell_length_c   2.72
_cell_angle_alpha   82.44
_cell_angle_beta   75.02
_cell_angle_gamma   22.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2Pt
_chemical_formula_sum   'Pd2 Pt1'
_cell_volume   46.68
_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  0.57  0.23  0.91  1.0
  Pd  Pd1  1  0.57  0.23  0.45  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0

data_Pd2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   6.86
_cell_angle_alpha   97.56
_cell_angle_beta   97.56
_cell_angle_gamma   109.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2Pt
_chemical_formula_sum   'Pd2 Pt1'
_cell_volume   46.68
_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  0.45  0.43  0.2  1.0
  Pd  Pd1  1  0.91  0.43  0.2  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0

Pd Pd Pt
Pd Pd Pt 0 1 o o o 0 1 o o + 0 2 + o + 1 2 + o o 