data_BaCd2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   145.09
_cell_angle_beta   120.93
_cell_angle_gamma   70.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2B
_chemical_formula_sum   'Ba1 Cd2 B1'
_cell_volume   104.03
_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
  Ba  Ba1  1  0.0  0.0  0.9  1.0
  Cd  Cd2  1  0.8  0.0  0.73  1.0
  Cd  Cd3  1  0.0  0.95  0.17  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_BaCd2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.91
_cell_length_c   5.99
_cell_angle_alpha   119.54
_cell_angle_beta   107.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2B
_chemical_formula_sum   'Ba1 Cd2 B1'
_cell_volume   104.03
_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
  Ba  Ba0  1  0.0  0.9  0.9  1.0
  Cd  Cd1  1  0.0  0.73  0.93  1.0
  Cd  Cd2  1  0.05  0.21  0.21  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Ba Cd Cd B
BaCd2B crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaCd2B cluster. Ba(1) is bonded in a water-like geometry to one Cd(1) and one B(1) atom. The Ba(1)-Cd(1) bond length is 1.10 Å. The Ba(1)-B(1) bond length is 0.63 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Ba(1) atom. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one B(1) atom. The Cd(2)-B(1) bond length is 1.23 Å. B(1) is bonded in a distorted linear geometry to one Ba(1) and one Cd(2) atom.