data_TlCdB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdB2
_chemical_formula_sum   'Tl1 Cd1 B2'
_cell_volume   65.79
_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
  Tl  Tl3  1  0.8  0.8  0.0  1.0
  Cd  Cd2  1  0.0  0.0  0.55  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.8  0.8  0.55  1.0

data_TlCdB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCdB2
_chemical_formula_sum   'Tl2 Cd2 B4'
_cell_volume   131.58
_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
  Tl  Tl0  2  0.3  0.5  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.55  1.0
  B  B2  2  0.0  0.0  0.0  1.0
  B  B3  2  0.3  0.5  0.55  1.0

Tl Cd B B
Tl Cd B B 0 2 + + o 1 3 - - o 
CdBTlB crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CdB clusters and two TlB clusters. In each CdB cluster, Cd(1) is bonded in a distorted single-bond geometry to one B(2) atom. The Cd(1)-B(2) bond length is 1.04 Å. B(2) is bonded in a distorted single-bond geometry to one Cd(1) atom. In each TlB cluster, Tl(1) is bonded in a distorted single-bond geometry to one B(1) atom. The Tl(1)-B(1) bond length is 1.04 Å. B(1) is bonded in a distorted single-bond geometry to one Tl(1) atom.