data_PPd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPd2Au
_chemical_formula_sum   'P1 Pd2 Au1'
_cell_volume   64.77
_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
  P  P1  1  0.0  0.0  0.84  1.0
  Pd  Pd2  1  0.65  0.65  0.7  1.0
  Pd  Pd3  1  0.0  0.0  0.35  1.0
  Au  Au0  1  0.65  0.65  0.9  1.0

data_PPd2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PPd2Au
_chemical_formula_sum   'P2 Pd4 Au2'
_cell_volume   129.54
_cell_formula_units_Z   2
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
  P  P0  2  0.0  0.0  0.84  1.0
  Pd  Pd1  2  0.0  0.0  0.35  1.0
  Pd  Pd2  2  0.15  0.5  0.7  1.0
  Au  Au3  2  0.15  0.5  0.9  1.0

P Pd Pd Au
Pd2AuP crystallizes in the monoclinic Cm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to three equivalent Pd(2) and one Au(1) atom. There is one shorter (2.63 Å) and two longer (3.21 Å) Pd(1)-Pd(2) bond lengths. The Pd(1)-Au(1) bond length is 1.18 Å. In the second Pd site, Pd(2) is bonded in a 10-coordinate geometry to three equivalent Pd(1), four equivalent Pd(2), one Au(1), and two equivalent P(1) atoms. All Pd(2)-Pd(2) bond lengths are 3.31 Å. The Pd(2)-Au(1) bond length is 3.12 Å. There is one shorter (2.88 Å) and one longer (3.04 Å) Pd(2)-P(1) bond length. Au(1) is bonded in a 1-coordinate geometry to one Pd(1), one Pd(2), and one P(1) atom. The Au(1)-P(1) bond length is 1.66 Å. P(1) is bonded in a distorted single-bond geometry to two equivalent Pd(2) and one Au(1) atom.