data_PdPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdPt2
_chemical_formula_sum   'Pd2 Pt4'
_cell_volume   93.7
_cell_formula_units_Z   2
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  0.38  0.58  0.18  1.0
  Pd  Pd1  1  0.38  0.42  0.54  1.0
  Pt  Pt2  1  0.38  0.79  0.18  1.0
  Pt  Pt3  1  0.38  0.98  0.54  1.0
  Pt  Pt4  1  0.38  0.02  0.18  1.0
  Pt  Pt5  1  0.38  0.21  0.54  1.0

data_PdPt2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.77
_cell_length_b   4.72
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   100.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PdPt2
_chemical_formula_sum   'Pd2 Pt4'
_cell_volume   93.7
_cell_formula_units_Z   2
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
  Pd  Pd0  2  0.42  0.32  0.92  1.0
  Pt  Pt1  2  0.02  0.68  0.52  1.0
  Pt  Pt2  2  0.21  0.32  0.71  1.0

Pd Pd Pt Pt Pt Pt
Pd Pd Pt Pt Pt Pt 0 2 o o o 1 5 o o o 2 4 o + o 3 4 o + o 3 5 o + o 