data_CdCo2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   26.89
_cell_angle_beta   26.89
_cell_angle_gamma   26.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo2B
_chemical_formula_sum   'Cd1 Co2 B1'
_cell_volume   49.73
_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  0.0  0.0  0.72  1.0
  Co  Co2  1  0.0  0.0  0.66  1.0
  Co  Co3  1  0.0  0.0  0.03  1.0
  B  B0  1  0.0  0.0  0.83  1.0

data_CdCo2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   3.03
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   105.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdCo2B
_chemical_formula_sum   'Cd2 Co4 B2'
_cell_volume   99.45
_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
  Cd  Cd0  2  -0.0  0.0  0.28  1.0
  Co  Co1  2  -0.0  0.0  0.34  1.0
  Co  Co2  2  -0.0  0.0  0.97  1.0
  B  B3  2  -0.0  0.0  0.17  1.0

Cd Co Co B
Cd Co Co B 0 1 o o o 0 3 o o o 2 3 o o - 
Co2CdB is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Co2CdB clusters. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Cd(1) atom. The Co(1)-Cd(1) bond length is 0.40 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one B(1) atom. The Co(2)-B(1) bond length is 1.27 Å. Cd(1) is bonded in a linear geometry to one Co(1) and one B(1) atom. The Cd(1)-B(1) bond length is 0.76 Å. B(1) is bonded in a linear geometry to one Co(2) and one Cd(1) atom.