data_PdAu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdAu2Cl
_chemical_formula_sum   'Pd1 Au2 Cl1'
_cell_volume   74.34
_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
  Pd  Pd3  1  0.0  0.0  0.53  1.0
  Au  Au0  1  0.62  0.62  0.12  1.0
  Au  Au1  1  0.62  0.62  0.93  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_PdAu2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PdAu2Cl
_chemical_formula_sum   'Pd2 Au4 Cl2'
_cell_volume   148.68
_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
  Pd  Pd0  2  0.0  0.0  0.53  1.0
  Au  Au1  2  0.12  0.5  0.12  1.0
  Au  Au2  2  0.12  0.5  0.93  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Pd Au Au Cl
PdAu2Cl crystallizes in the monoclinic Cm space group. Pd(1) is bonded to four equivalent Pd(1), one Au(1), and one Au(2) atom to form a mixture of distorted corner and edge-sharing PdPd4Au2 octahedra. The corner-sharing octahedra are not tilted. All Pd(1)-Pd(1) bond lengths are 3.25 Å. The Pd(1)-Au(1) bond length is 3.35 Å. The Pd(1)-Au(2) bond length is 3.35 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 2-coordinate geometry to one Pd(1), one Au(2), and four equivalent Cl(1) atoms. The Au(1)-Au(2) bond length is 1.33 Å. There are a spread of Au(1)-Cl(1) bond distances ranging from 1.94-2.99 Å. In the second Au site, Au(2) is bonded in a 2-coordinate geometry to one Pd(1), one Au(1), and four equivalent Cl(1) atoms. There are a spread of Au(2)-Cl(1) bond distances ranging from 1.79-2.89 Å. Cl(1) is bonded in a 8-coordinate geometry to four equivalent Au(1) and four equivalent Au(2) atoms.