data_La2CdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CdSe
_chemical_formula_sum   'La2 Cd1 Se1'
_cell_volume   111.58
_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
  La  La1  1  0.89  0.89  0.98  1.0
  La  La2  1  0.89  0.89  0.81  1.0
  Cd  Cd0  1  0.0  0.0  0.9  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_La2CdSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2CdSe
_chemical_formula_sum   'La4 Cd2 Se2'
_cell_volume   223.15
_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
  La  La0  2  0.39  0.5  0.81  1.0
  La  La1  2  0.39  0.5  0.98  1.0
  Cd  Cd2  2  0.0  0.0  0.9  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

La La Cd Se
La La Cd Se 0 3 + + + 0 2 + + o 1 2 + + o 2 3 o o + 
La2CdSe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two La2CdSe clusters. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 2-coordinate geometry to one Cd(1) and one Se(1) atom. The La(1)-Cd(1) bond length is 0.87 Å. The La(1)-Se(1) bond length is 0.60 Å. In the second La site, La(2) is bonded in a single-bond geometry to one Cd(1) atom. The La(2)-Cd(1) bond length is 0.87 Å. Cd(1) is bonded in a 3-coordinate geometry to one La(1), one La(2), and one Se(1) atom. The Cd(1)-Se(1) bond length is 0.81 Å. Se(1) is bonded in a 2-coordinate geometry to one La(1) and one Cd(1) atom.