data_Cu3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3Pd
_chemical_formula_sum   'Cu3 Pd1'
_cell_volume   51.13
_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
  Cu  Cu0  1  0.48  0.48  0.51  1.0
  Cu  Cu1  1  0.48  0.48  0.35  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.93  1.0

data_Cu3Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu3Pd
_chemical_formula_sum   'Cu6 Pd2'
_cell_volume   102.27
_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
  Cu  Cu0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.48  0.0  0.35  1.0
  Cu  Cu2  2  0.48  0.0  0.51  1.0
  Pd  Pd3  2  0.0  0.0  0.93  1.0

Cu Cu Cu Pd
Cu3Pd is alpha carbon monoxide-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two copper--palladium (1/1) molecules and two Cu clusters. In each Cu cluster, there are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Cu(2) atom. The Cu(1)-Cu(2) bond length is 0.94 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Cu(1) atom.