The material described by CdTl3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Cd(1) is bonded to four equivalent Tl(2) and eight equivalent Tl(1) atoms to form CdTl12 cuboctahedra that share corners with four equivalent Cd(1)Tl12 cuboctahedra, corners with eight equivalent Tl(2)Tl8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Tl12 cuboctahedra, edges with sixteen equivalent Tl(1)Tl8Cd4 cuboctahedra, faces with four equivalent Cd(1)Tl12 cuboctahedra, faces with six equivalent Tl(2)Tl8Cd4 cuboctahedra, and faces with eight equivalent Tl(1)Tl8Cd4 cuboctahedra. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to four equivalent Cd(1), four equivalent Tl(1), and four equivalent Tl(2) atoms to form TlTl8Cd4 cuboctahedra that share corners with twelve equivalent Tl(1)Tl8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Tl12 cuboctahedra, edges with eight equivalent Tl(1)Tl8Cd4 cuboctahedra, edges with eight equivalent Tl(2)Tl8Cd4 cuboctahedra, faces with four equivalent Cd(1)Tl12 cuboctahedra, faces with four equivalent Tl(2)Tl8Cd4 cuboctahedra, and faces with ten equivalent Tl(1)Tl8Cd4 cuboctahedra. In the second Tl site, Tl(2) is bonded to four equivalent Cd(1) and eight equivalent Tl(1) atoms to form TlTl8Cd4 cuboctahedra that share corners with four equivalent Tl(2)Tl8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Tl12 cuboctahedra, edges with eight equivalent Tl(2)Tl8Cd4 cuboctahedra, edges with sixteen equivalent Tl(1)Tl8Cd4 cuboctahedra, faces with four equivalent Tl(2)Tl8Cd4 cuboctahedra, faces with six equivalent Cd(1)Tl12 cuboctahedra, and faces with eight equivalent Tl(1)Tl8Cd4 cuboctahedra. is represented by the CIF file [CIF]
data_Tl3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.977
_cell_length_b   5.977
_cell_length_c   5.977
_cell_angle_alpha   132.731
_cell_angle_beta   132.731
_cell_angle_gamma   69.076
_symmetry_Int_Tables_number   1
_cell_volume   113.081
_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  Tl0  1  0.750  0.250  0.500  1.0
  Tl  Tl1  1  0.250  0.750  0.500  1.0
  Tl  Tl2  1  0.500  0.500  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material described by CdTl3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Cd(1) is bonded to four equivalent Tl(2) and eight equivalent Tl(1) atoms to form CdTl12 cuboctahedra that share corners with four equivalent Cd(1)Tl12 cuboctahedra, corners with eight equivalent Tl(2)Tl8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Tl12 cuboctahedra, edges with sixteen equivalent Tl(1)Tl8Cd4 cuboctahedra, faces with four equivalent Cd(1)Tl12 cuboctahedra, faces with six equivalent Tl(2)Tl8Cd4 cuboctahedra, and faces with eight equivalent Tl(1)Tl8Cd4 cuboctahedra. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to four equivalent Cd(1), four equivalent Tl(1), and four equivalent Tl(2) atoms to form TlTl8Cd4 cuboctahedra that share corners with twelve equivalent Tl(1)Tl8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Tl12 cuboctahedra, edges with eight equivalent Tl(1)Tl8Cd4 cuboctahedra, edges with eight equivalent Tl(2)Tl8Cd4 cuboctahedra, faces with four equivalent Cd(1)Tl12 cuboctahedra, faces with four equivalent Tl(2)Tl8Cd4 cuboctahedra, and faces with ten equivalent Tl(1)Tl8Cd4 cuboctahedra. In the second Tl site, Tl(2) is bonded to four equivalent Cd(1) and eight equivalent Tl(1) atoms to form TlTl8Cd4 cuboctahedra that share corners with four equivalent Tl(2)Tl8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Tl12 cuboctahedra, edges with eight equivalent Tl(2)Tl8Cd4 cuboctahedra, edges with sixteen equivalent Tl(1)Tl8Cd4 cuboctahedra, faces with four equivalent Tl(2)Tl8Cd4 cuboctahedra, faces with six equivalent Cd(1)Tl12 cuboctahedra, and faces with eight equivalent Tl(1)Tl8Cd4 cuboctahedra. is represented by the CIF file [CIF]
data_Tl3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.977
_cell_length_b   5.977
_cell_length_c   5.977
_cell_angle_alpha   132.731
_cell_angle_beta   132.731
_cell_angle_gamma   69.076
_symmetry_Int_Tables_number   1
_cell_volume   113.081
_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  Tl0  1  0.750  0.250  0.500  1.0
  Tl  Tl1  1  0.250  0.750  0.500  1.0
  Tl  Tl2  1  0.500  0.500  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
[/CIF]
.