data_CdPt2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22
_cell_length_b   9.22
_cell_length_c   9.22
_cell_angle_alpha   19.77
_cell_angle_beta   19.77
_cell_angle_gamma   19.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPt2Pb
_chemical_formula_sum   'Cd1 Pt2 Pb1'
_cell_volume   78.38
_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
  Pt  Pt2  1  0.0  0.0  0.25  1.0
  Pt  Pt3  1  0.0  0.0  0.85  1.0
  Pb  Pb1  1  0.0  0.0  0.55  1.0

data_CdPt2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   3.16
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   101.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdPt2Pb
_chemical_formula_sum   'Cd2 Pt4 Pb2'
_cell_volume   156.77
_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
  Cd  Cd0  2  0.0  0.0  0.0  1.0
  Pt  Pt1  2  -0.0  0.0  0.75  1.0
  Pt  Pt2  2  0.0  0.0  0.15  1.0
  Pb  Pb3  2  0.0  0.0  0.45  1.0

Cd Pt Pt Pb
Cd Pt Pt Pb 0 2 o o - 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
Pt2CdPb crystallizes in the monoclinic Cm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted single-bond geometry to one Cd(1) and one Pb(1) atom. The Pt(1)-Cd(1) bond length is 2.34 Å. The Pt(1)-Pb(1) bond length is 2.77 Å. In the second Pt site, Pt(2) is bonded in a single-bond geometry to one Cd(1) and one Pb(1) atom. The Pt(2)-Cd(1) bond length is 1.34 Å. The Pt(2)-Pb(1) bond length is 2.77 Å. Cd(1) is bonded in a distorted linear geometry to one Pt(1) and one Pt(2) atom. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one Pt(1); one Pt(2); and six Pb(1,1) atoms to form a mixture of distorted corner and edge-sharing PbPt2Pb6 hexagonal bipyramids. All Pb(1)-Pb(1,1) bond lengths are 3.16 Å. In the second Pb site, Pb(1) is bonded to one Pt(1); one Pt(2); and six Pb(1,1) atoms to form a mixture of distorted corner and edge-sharing PbPt2Pb6 hexagonal bipyramids. The Pb(1)-Pt(1) bond length is 2.77 Å. The Pb(1)-Pt(2) bond length is 2.77 Å. Both Pb(1)-Pb(1) bond lengths are 3.16 Å.