data_CrCdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   6.69
_cell_angle_alpha   148.69
_cell_angle_beta   147.1
_cell_angle_gamma   46.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdSe2
_chemical_formula_sum   'Cr1 Cd1 Se2'
_cell_volume   84.07
_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
  Cr  Cr1  1  0.0  0.0  0.78  1.0
  Cd  Cd0  1  0.0  0.89  0.51  1.0
  Se  Se2  1  0.0  0.89  0.5  1.0
  Se  Se3  1  0.0  0.0  0.67  1.0

data_CrCdSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.79
_cell_length_c   6.69
_cell_angle_alpha   106.45
_cell_angle_beta   105.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdSe2
_chemical_formula_sum   'Cr1 Cd1 Se2'
_cell_volume   84.07
_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
  Cr  Cr0  1  0.0  0.78  0.78  1.0
  Cd  Cd1  1  0.11  0.62  0.62  1.0
  Se  Se2  1  0.0  0.67  0.67  1.0
  Se  Se3  1  0.11  0.6  0.6  1.0

Cr Cd Se Se
CrCdSe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CrCdSe2 cluster. Cr(1) is bonded in a single-bond geometry to one Se(2) atom. The Cr(1)-Se(2) bond length is 0.71 Å. Cd(1) is bonded in a bent 150 degrees geometry to one Se(1) and one Se(2) atom. The Cd(1)-Se(1) bond length is 0.08 Å. The Cd(1)-Se(2) bond length is 0.62 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a single-bond geometry to one Cd(1) atom. In the second Se site, Se(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cd(1) atom.