data_CdHgPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   10.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgPb2
_chemical_formula_sum   'Cd1 Hg1 Pb2'
_cell_volume   114.46
_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
  Hg  Hg1  1  0.0  0.0  0.4  1.0
  Pb  Pb2  1  0.85  0.0  0.16  1.0
  Pb  Pb3  1  0.85  0.0  0.64  1.0

data_CdHgPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   10.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgPb2
_chemical_formula_sum   'Cd1 Hg1 Pb2'
_cell_volume   114.46
_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
  Hg  Hg1  1  0.0  0.0  0.4  1.0
  Pb  Pb2  1  0.85  0.0  0.16  1.0
  Pb  Pb3  1  0.85  0.0  0.64  1.0

Cd Hg Pb Pb
Cd Hg Pb Pb 0 2 - o o 1 2 - o o 1 3 - o o 3 3 o + o 3 3 + o o 
HgCdPb2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HgCdPb2 cluster. Hg(1) is bonded in a bent 150 degrees geometry to one Pb(1) and one Pb(2) atom. The Hg(1)-Pb(1) bond length is 2.65 Å. The Hg(1)-Pb(2) bond length is 2.65 Å. Cd(1) is bonded in a single-bond geometry to one Pb(1) atom. The Cd(1)-Pb(1) bond length is 1.76 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted single-bond geometry to one Hg(1) and one Cd(1) atom. In the second Pb site, Pb(2) is bonded in a single-bond geometry to one Hg(1) atom.