data_CdPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   4.9
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPb3
_chemical_formula_sum   'Cd1 Pb3'
_cell_volume   121.19
_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
  Pb  Pb1  1  0.76  0.45  0.35  1.0
  Pb  Pb2  1  0.0  0.0  0.51  1.0
  Pb  Pb3  1  0.76  0.45  0.67  1.0

data_CdPb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.9
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPb3
_chemical_formula_sum   'Cd1 Pb3'
_cell_volume   121.19
_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
  Pb  Pb1  1  0.0  0.0  0.51  1.0
  Pb  Pb2  1  0.76  0.45  0.35  1.0
  Pb  Pb3  1  0.76  0.45  0.67  1.0

Cd Pb Pb Pb
Cd Pb Pb Pb 0 3 - - - 0 3 - o - 0 1 - - o 0 1 - o o 0 0 + o o 0 2 o o - 0 2 o o o 1 2 + o o 1 2 + + o 1 3 o o o 2 3 - - o 2 3 - o o 
CdPb3 crystallizes in the triclinic P1 space group. Cd(1) is bonded in a 3-coordinate geometry to one Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms. The Cd(1)-Pb(1) bond length is 3.40 Å. There is one shorter (3.44 Å) and one longer (3.58 Å) Cd(1)-Pb(2) bond length. There is one shorter (3.30 Å) and one longer (3.64 Å) Cd(1)-Pb(3) bond length. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one Cd(1), one Pb(3), and two equivalent Pb(2) atoms. The Pb(1)-Pb(3) bond length is 2.28 Å. There is one shorter (2.63 Å) and one longer (3.04 Å) Pb(1)-Pb(2) bond length. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent Cd(1), two equivalent Pb(1), and two equivalent Pb(3) atoms. There is one shorter (2.63 Å) and one longer (3.04 Å) Pb(2)-Pb(3) bond length. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to two equivalent Cd(1), one Pb(1), two equivalent Pb(2), and two equivalent Pb(3) atoms. Both Pb(3)-Pb(3) bond lengths are 3.52 Å.