data_Cd2BSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.84
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BSe
_chemical_formula_sum   'Cd2 B1 Se1'
_cell_volume   86.19
_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  Cd1  1  0.89  0.0  0.97  1.0
  Cd  Cd2  1  0.89  0.92  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.92  0.97  1.0

data_Cd2BSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.84
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BSe
_chemical_formula_sum   'Cd2 B1 Se1'
_cell_volume   86.19
_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  0.89  0.0  0.97  1.0
  Cd  Cd1  1  0.89  0.92  -0.0  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.92  0.97  1.0

Cd Cd B Se
Cd2BSe is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Cd2BSe cluster. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 2-coordinate geometry to one Cd(2) and one B(1) atom. The Cd(1)-Cd(2) bond length is 0.35 Å. The Cd(1)-B(1) bond length is 0.45 Å. In the second Cd site, Cd(2) is bonded in a 2-coordinate geometry to one Cd(1) and one Se(1) atom. The Cd(2)-Se(1) bond length is 0.45 Å. B(1) is bonded in a 2-coordinate geometry to one Cd(1) and one Se(1) atom. The B(1)-Se(1) bond length is 0.35 Å. Se(1) is bonded in a distorted L-shaped geometry to one Cd(2) and one B(1) atom.