data_Cd2PtPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2PtPb
_chemical_formula_sum   'Cd2 Pt1 Pb1'
_cell_volume   90.31
_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  0.24  0.0  0.75  1.0
  Cd  Cd1  1  0.24  0.0  0.06  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.41  1.0

data_Cd2PtPb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   8.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cd2PtPb
_chemical_formula_sum   'Cd2 Pt1 Pb1'
_cell_volume   90.32
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.24  0.0  0.06  1.0
  Cd  Cd1  1  0.24  0.0  0.75  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.41  1.0

Cd Cd Pt Pb
Cd Cd Pt Pb 0 3 o o o 0 2 o o + 0 1 o o + 1 2 o o o 1 3 o o o 2 3 o o o 3 3 o + o 3 3 + o o 
PtCd2Pb crystallizes in the monoclinic Pm space group. Pt(1) is bonded in a distorted single-bond geometry to one Cd(1) and one Cd(2) atom. The Pt(1)-Cd(1) bond length is 2.35 Å. The Pt(1)-Cd(2) bond length is 0.96 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 2-coordinate geometry to one Pt(1) and one Pb(1) atom. The Cd(1)-Pb(1) bond length is 3.11 Å. In the second Cd site, Cd(2) is bonded in a distorted single-bond geometry to one Pt(1) and one Pb(1) atom. The Cd(2)-Pb(1) bond length is 3.11 Å. Pb(1) is bonded in a distorted bent 150 degrees geometry to one Cd(1), one Cd(2), and four equivalent Pb(1) atoms. All Pb(1)-Pb(1) bond lengths are 3.20 Å.