data_TlCd2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33
_cell_length_b   8.33
_cell_length_c   8.33
_cell_angle_alpha   24.31
_cell_angle_beta   24.31
_cell_angle_gamma   24.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2B
_chemical_formula_sum   'Tl1 Cd2 B1'
_cell_volume   86.1
_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  0.0  0.0  0.12  1.0
  Cd  Cd1  1  0.0  0.0  0.68  1.0
  Cd  Cd2  1  0.0  0.0  0.56  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_TlCd2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.08
_cell_length_b   3.51
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   104.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCd2B
_chemical_formula_sum   'Tl2 Cd4 B2'
_cell_volume   172.2
_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  0.0  0.0  0.88  1.0
  Cd  Cd1  2  0.0  0.0  0.32  1.0
  Cd  Cd2  2  0.0  0.0  0.44  1.0
  B  B3  2  0.0  0.0  0.0  1.0

Tl Cd Cd B
Tl Cd Cd B 0 3 o o o 1 2 o o o 
Cd2TlB crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Cd2TlB clusters. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted linear geometry to one Cd(2) and one B(1) atom. The Cd(1)-Cd(2) bond length is 0.98 Å. The Cd(1)-B(1) bond length is 2.67 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Cd(1) atom. Tl(1) is bonded in a single-bond geometry to one B(1) atom. The Tl(1)-B(1) bond length is 1.01 Å. B(1) is bonded in a single-bond geometry to one Cd(1) and one Tl(1) atom.