data_PdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   3.96
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   108.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdPt
_chemical_formula_sum   'Pd6 Pt6'
_cell_volume   186.21
_cell_formula_units_Z   6
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  0.5  0.0  0.02  1.0
  Pd  Pd1  1  0.62  0.98  0.39  1.0
  Pd  Pd2  1  0.75  0.0  0.76  1.0
  Pd  Pd3  1  0.12  0.98  0.13  1.0
  Pd  Pd4  1  0.24  0.0  0.5  1.0
  Pd  Pd5  1  0.0  0.0  0.0  1.0
  Pt  Pt6  1  0.37  0.98  0.88  1.0
  Pt  Pt7  1  0.76  0.0  0.26  1.0
  Pt  Pt8  1  0.89  0.98  0.63  1.0
  Pt  Pt9  1  0.86  0.98  0.89  1.0
  Pt  Pt10  1  0.98  0.0  0.26  1.0
  Pt  Pt11  1  0.37  0.98  0.64  1.0

data_PdPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   6.24
_cell_length_c   7.93
_cell_angle_alpha   108.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdPt
_chemical_formula_sum   'Pd6 Pt6'
_cell_volume   186.21
_cell_formula_units_Z   6
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  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.25  0.24  1.0
  Pd  Pd2  1  0.0  0.5  0.98  1.0
  Pd  Pd3  1  0.0  0.76  0.5  1.0
  Pd  Pd4  1  0.02  0.38  0.61  1.0
  Pd  Pd5  1  0.02  0.88  0.87  1.0
  Pt  Pt6  1  0.0  0.02  0.74  1.0
  Pt  Pt7  1  0.0  0.24  0.74  1.0
  Pt  Pt8  1  0.02  0.11  0.37  1.0
  Pt  Pt9  1  0.02  0.14  0.11  1.0
  Pt  Pt10  1  0.02  0.63  0.12  1.0
  Pt  Pt11  1  0.02  0.63  0.36  1.0

Pd Pd Pd Pd Pd Pd Pt Pt Pt Pt Pt Pt
Pd Pd Pd Pd Pd Pd Pt Pt Pt Pt Pt Pt 0 6 o - - 1 7 o + o 2 9 o - o 2 8 o - o 3 5 o + o 3 10 - + o 4 11 o - o 5 9 - - - 7 10 o o o 