data_Cu2PdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2PdPb
_chemical_formula_sum   'Cu2 Pd1 Pb1'
_cell_volume   66.91
_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  0.68  0.68  0.26  1.0
  Cu  Cu1  1  0.68  0.68  0.64  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.95  1.0

data_Cu2PdPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2PdPb
_chemical_formula_sum   'Cu4 Pd2 Pb2'
_cell_volume   133.82
_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  0.18  0.5  0.26  1.0
  Cu  Cu1  2  0.18  0.5  0.64  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.95  1.0

Cu Cu Pd Pb
Cu Cu Pd Pb 0 2 + + o 0 3 + + - 0 1 o o o 1 2 + + + 1 3 + + o 2 3 o o - 
PdCu2Pb crystallizes in the monoclinic Cm space group. Pd(1) is bonded in a distorted single-bond geometry to one Cu(1) and one Pb(1) atom. The Pd(1)-Cu(1) bond length is 2.14 Å. The Pd(1)-Pb(1) bond length is 0.30 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Pd(1) and one Cu(2) atom. The Cu(1)-Cu(2) bond length is 2.24 Å. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one Cu(1) and three equivalent Pb(1) atoms. There is one shorter (2.37 Å) and two longer (3.13 Å) Cu(2)-Pb(1) bond lengths. Pb(1) is bonded in a distorted single-bond geometry to one Pd(1) and three equivalent Cu(2) atoms.