data_CdPbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPbCl2
_chemical_formula_sum   'Cd1 Pb1 Cl2'
_cell_volume   103.41
_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  0.73  0.73  0.73  1.0
  Pb  Pb3  1  0.59  0.59  0.59  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.86  0.86  0.86  1.0

data_CdPbCl2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   12.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdPbCl2
_chemical_formula_sum   'Cd3 Pb3 Cl6'
_cell_volume   310.24
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.27  1.0
  Pb  Pb1  3  0.0  0.0  0.41  1.0
  Cl  Cl2  3  0.0  0.0  0.0  1.0
  Cl  Cl3  3  0.0  0.0  0.14  1.0

Cd Pb Cl Cl
CdPbCl2 crystallizes in the trigonal R3m space group. Cd(1) is bonded in a linear geometry to one Pb(1), one Cl(2), and three equivalent Cl(1) atoms. The Cd(1)-Pb(1) bond length is 1.77 Å. The Cd(1)-Cl(2) bond length is 1.77 Å. All Cd(1)-Cl(1) bond lengths are 3.14 Å. Pb(1) is bonded in a single-bond geometry to one Cd(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent Cd(1) and one Cl(2) atom to form distorted corner-sharing ClCd3Cl tetrahedra. The Cl(1)-Cl(2) bond length is 1.77 Å. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Cd(1) and one Cl(1) atom.