data_Pd3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   5.56
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd3Pt
_chemical_formula_sum   'Pd6 Pt2'
_cell_volume   124.47
_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  0.0  0.0  0.19  1.0
  Pd  Pd1  1  0.33  0.39  0.02  1.0
  Pd  Pd2  1  0.0  0.39  0.8  1.0
  Pd  Pd3  1  0.33  0.78  0.63  1.0
  Pd  Pd4  1  0.33  0.17  0.02  1.0
  Pd  Pd5  1  0.0  0.17  0.8  1.0
  Pt  Pt6  1  0.33  0.0  0.6  1.0
  Pt  Pt7  1  0.0  0.78  0.21  1.0

data_Pd3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.65
_cell_length_b   4.81
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd3Pt
_chemical_formula_sum   'Pd6 Pt2'
_cell_volume   124.47
_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  0.0  0.2  0.61  1.0
  Pd  Pd1  1  0.0  0.2  0.83  1.0
  Pd  Pd2  1  0.0  0.81  0.0  1.0
  Pd  Pd3  1  0.67  0.37  0.22  1.0
  Pd  Pd4  1  0.67  0.98  0.61  1.0
  Pd  Pd5  1  0.67  0.98  0.83  1.0
  Pt  Pt6  1  0.0  0.79  0.22  1.0
  Pt  Pt7  1  0.67  0.4  0.0  1.0

Pd Pd Pd Pd Pd Pd Pt Pt
Pd Pd Pd Pd Pd Pd Pt Pt 0 7 o - o 1 4 o o o 2 5 o o o 3 6 o + o 