data_Mo2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.63
_cell_length_b   9.63
_cell_length_c   9.63
_cell_angle_alpha   16.73
_cell_angle_beta   16.73
_cell_angle_gamma   16.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2PdAu
_chemical_formula_sum   'Mo2 Pd1 Au1'
_cell_volume   64.48
_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
  Mo  Mo1  1  0.0  0.0  0.29  1.0
  Mo  Mo2  1  0.0  0.0  0.19  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.24  1.0

data_Mo2PdAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.85
_cell_length_b   2.8
_cell_length_c   9.63
_cell_angle_alpha   90.0
_cell_angle_beta   99.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mo2PdAu
_chemical_formula_sum   'Mo4 Pd2 Au2'
_cell_volume   128.96
_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
  Mo  Mo0  2  0.0  0.0  0.81  1.0
  Mo  Mo1  2  0.0  0.0  0.71  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.76  1.0

Mo Mo Pd Au
Mo2PdAu is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mo2PdAu clusters. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Au(1) atom. The Mo(1)-Au(1) bond length is 0.49 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Pd(1) and one Au(1) atom. The Mo(2)-Pd(1) bond length is 1.78 Å. The Mo(2)-Au(1) bond length is 0.49 Å. Pd(1) is bonded in a single-bond geometry to one Mo(2) atom. Au(1) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom.