data_PdPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.17
_cell_length_b   12.17
_cell_length_c   12.17
_cell_angle_alpha   161.27
_cell_angle_beta   161.27
_cell_angle_gamma   26.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdPt
_chemical_formula_sum   'Pd6 Pt6'
_cell_volume   185.89
_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  0.98  0.92  1.0
  Pd  Pd1  1  0.0  0.0  0.88  1.0
  Pd  Pd2  1  0.0  0.0  0.84  1.0
  Pd  Pd3  1  0.0  0.0  0.8  1.0
  Pd  Pd4  1  0.98  0.0  0.92  1.0
  Pd  Pd5  1  0.0  0.0  0.0  1.0
  Pt  Pt6  1  0.0  0.98  0.87  1.0
  Pt  Pt7  1  0.98  0.0  0.97  1.0
  Pt  Pt8  1  0.0  0.0  0.75  1.0
  Pt  Pt9  1  0.98  0.0  0.87  1.0
  Pt  Pt10  1  0.0  0.98  0.97  1.0
  Pt  Pt11  1  0.0  0.0  0.94  1.0

data_PdPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   12.17
_cell_angle_alpha   90.0
_cell_angle_beta   103.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PdPt
_chemical_formula_sum   'Pd12 Pt12'
_cell_volume   371.77
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.49  0.49  0.06  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  2  0.0  0.0  0.12  1.0
  Pd  Pd3  2  0.0  0.0  0.16  1.0
  Pd  Pd4  2  0.0  0.0  0.2  1.0
  Pt  Pt5  4  0.49  0.49  0.11  1.0
  Pt  Pt6  4  0.49  0.49  0.01  1.0
  Pt  Pt7  2  0.0  0.0  0.06  1.0
  Pt  Pt8  2  0.0  0.0  0.25  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 11 o + o 1 9 - o o 1 6 o - o 1 2 o o o 2 9 - o o 2 6 o - o 2 3 o o o 3 8 o o o 4 11 + o o 5 7 - o - 5 10 o - - 6 9 - + o 7 10 + - o 
PtPd is Cubic alpha N2-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of four PtPd clusters. There are two inequivalent Pt sites. In the first Pt site, Pt(4) is bonded in an L-shaped geometry to two equivalent Pd(1) atoms. Both Pt(4)-Pd(1) bond lengths are 0.08 Å. In the second Pt site, Pt(2) is bonded in a 3-coordinate geometry to one Pt(2), one Pd(1), and one Pd(5) atom. The Pt(2)-Pt(2) bond length is 0.11 Å. The Pt(2)-Pd(1) bond length is 0.64 Å. The Pt(2)-Pd(5) bond length is 0.12 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to one Pt(2) and one Pt(4) atom. In the second Pd site, Pd(5) is bonded in a 2-coordinate geometry to two equivalent Pt(2) atoms.