data_TlCdBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdBi2
_chemical_formula_sum   'Tl1 Cd1 Bi2'
_cell_volume   121.15
_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  0.06  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.73  0.73  0.81  1.0
  Bi  Bi1  1  0.73  0.73  0.31  1.0

data_TlCdBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCdBi2
_chemical_formula_sum   'Tl2 Cd2 Bi4'
_cell_volume   242.3
_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  0.06  1.0
  Cd  Cd1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.23  0.5  0.31  1.0
  Bi  Bi3  2  0.23  0.5  0.81  1.0

Tl Cd Bi Bi
Tl Cd Bi Bi 0 1 o o o 0 3 o - o 0 3 - o o 0 3 - - o 1 2 - - - 1 3 - - o 3 3 + o o 3 3 o + o 
CdTlBi2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CdTlBi2 clusters. Cd(1) is bonded in a distorted single-bond geometry to one Tl(1) and one Bi(1) atom. The Cd(1)-Tl(1) bond length is 0.64 Å. The Cd(1)-Bi(1) bond length is 2.30 Å. Tl(1) is bonded in a distorted single-bond geometry to one Cd(1) and one Bi(2) atom. The Tl(1)-Bi(2) bond length is 2.85 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted single-bond geometry to one Cd(1) atom. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one Tl(1) atom.