data_CdCu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   3.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCu2Pb
_chemical_formula_sum   'Cd1 Cu2 Pb1'
_cell_volume   75.06
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.62  0.72  0.69  1.0
  Cu  Cu2  1  0.62  0.28  0.69  1.0
  Pb  Pb3  1  0.24  0.0  0.0  1.0

data_CdCu2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   93.35
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCu2Pb
_chemical_formula_sum   'Cd1 Cu2 Pb1'
_cell_volume   75.06
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.69  0.62  0.28  1.0
  Cu  Cu2  1  0.69  0.62  0.72  1.0
  Pb  Pb3  1  0.0  0.24  0.0  1.0

Cd Cu Cu Pb
Cd Cu Cu Pb 0 3 o o o 0 1 - - - 0 2 - o - 1 3 o + + 1 2 o o o 2 3 o o + 
Cu2CdPb crystallizes in the triclinic P1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to two equivalent Cu(2), one Cd(1), and one Pb(1) atom. There is one shorter (2.04 Å) and one longer (2.68 Å) Cu(1)-Cu(2) bond length. The Cu(1)-Cd(1) bond length is 2.42 Å. The Cu(1)-Pb(1) bond length is 2.53 Å. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent Cu(1), two equivalent Cd(1), and two equivalent Pb(1) atoms. There is one shorter (2.53 Å) and one longer (3.28 Å) Cu(2)-Cd(1) bond length. There is one shorter (2.42 Å) and one longer (3.19 Å) Cu(2)-Pb(1) bond length. Cd(1) is bonded in a distorted single-bond geometry to one Cu(1), two equivalent Cu(2), and one Pb(1) atom. The Cd(1)-Pb(1) bond length is 1.12 Å. Pb(1) is bonded in a distorted single-bond geometry to one Cu(1), two equivalent Cu(2), and one Cd(1) atom.