data_CdPbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   3.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPbSe2
_chemical_formula_sum   'Cd1 Pb1 Se2'
_cell_volume   99.83
_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  0.64  0.0  0.0  1.0
  Se  Se2  1  0.82  0.16  0.87  1.0
  Se  Se3  1  0.82  0.84  0.87  1.0

data_CdPbSe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.74
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CdPbSe2
_chemical_formula_sum   'Cd1 Pb1 Se2'
_cell_volume   99.83
_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  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.64  1.0
  Se  Se2  2  0.87  0.16  0.82  1.0

Cd Pb Se Se
CdPbSe2 is Indium-like structured and crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one CdPbSe2 cluster. Cd(1) is bonded in a 2-coordinate geometry to two equivalent Se(1) atoms. Both Cd(1)-Se(1) bond lengths are 1.35 Å. Pb(1) is bonded in a 2-coordinate geometry to two equivalent Se(1) atoms. Both Pb(1)-Se(1) bond lengths are 1.35 Å. Se(1) is bonded in a distorted L-shaped geometry to one Cd(1) and one Pb(1) atom.