data_Cu2AsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2AsPd
_chemical_formula_sum   'Cu2 As1 Pd1'
_cell_volume   57.14
_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  Cu1  1  0.65  0.65  0.3  1.0
  Cu  Cu2  1  0.65  0.65  0.96  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.63  1.0

data_Cu2AsPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2AsPd
_chemical_formula_sum   'Cu4 As2 Pd2'
_cell_volume   114.27
_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  0.15  0.5  0.3  1.0
  Cu  Cu1  2  0.15  0.5  0.96  1.0
  As  As2  2  0.0  0.0  0.0  1.0
  Pd  Pd3  2  0.0  0.0  0.63  1.0

Cu Cu As Pd
PdCu2As crystallizes in the monoclinic Cm space group. Pd(1) is bonded in a 2-coordinate geometry to three equivalent Cu(1) and one As(1) atom. There is one shorter (2.39 Å) and two longer (2.98 Å) Pd(1)-Cu(1) bond lengths. The Pd(1)-As(1) bond length is 1.94 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 7-coordinate geometry to three equivalent Pd(1), one Cu(2), and three equivalent As(1) atoms. The Cu(1)-Cu(2) bond length is 1.80 Å. There is one shorter (2.28 Å) and two longer (2.90 Å) Cu(1)-As(1) bond lengths. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one Cu(1) and one As(1) atom. The Cu(2)-As(1) bond length is 1.66 Å. As(1) is bonded in a 1-coordinate geometry to one Pd(1), one Cu(2), and three equivalent Cu(1) atoms.