data_Tl2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Cd
_chemical_formula_sum   'Tl4 Cd2'
_cell_volume   173.46
_cell_formula_units_Z   2
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  Tl2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.36  1.0
  Tl  Tl4  1  0.73  0.58  0.68  1.0
  Tl  Tl5  1  0.0  0.15  0.04  1.0
  Cd  Cd0  1  0.0  0.15  0.68  1.0
  Cd  Cd1  1  0.73  0.58  0.04  1.0

data_Tl2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Cd
_chemical_formula_sum   'Tl4 Cd2'
_cell_volume   173.46
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.36  1.0
  Tl  Tl2  1  0.0  0.15  0.04  1.0
  Tl  Tl3  1  0.73  0.58  0.68  1.0
  Cd  Cd4  1  0.0  0.15  0.68  1.0
  Cd  Cd5  1  0.73  0.58  0.04  1.0

Tl Tl Tl Tl Cd Cd
Tl Tl Tl Tl Cd Cd 0 3 o o o 0 1 o o o 0 2 - - - 0 4 o o - 0 5 - - o 1 3 o o o 1 4 o o o 1 2 - - o 2 4 + + o 2 5 o o + 3 4 o o - 
CdTl2 crystallizes in the triclinic P1 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one Tl(1), one Tl(2), one Tl(4), and three equivalent Tl(3) atoms. The Cd(1)-Tl(1) bond length is 2.30 Å. The Cd(1)-Tl(2) bond length is 2.30 Å. The Cd(1)-Tl(4) bond length is 2.44 Å. There are a spread of Cd(1)-Tl(3) bond distances ranging from 2.72-3.46 Å. In the second Cd site, Cd(2) is bonded in a 2-coordinate geometry to one Tl(1), one Tl(2), and one Tl(3) atom. The Cd(2)-Tl(1) bond length is 2.05 Å. The Cd(2)-Tl(2) bond length is 2.95 Å. The Cd(2)-Tl(3) bond length is 2.44 Å. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one Cd(1), one Cd(2), one Tl(2), and one Tl(4) atom. The Tl(1)-Tl(2) bond length is 2.44 Å. The Tl(1)-Tl(4) bond length is 0.87 Å. In the second Tl site, Tl(2) is bonded in a 5-coordinate geometry to one Cd(1), one Cd(2), one Tl(1), one Tl(3), and one Tl(4) atom. The Tl(2)-Tl(3) bond length is 2.95 Å. The Tl(2)-Tl(4) bond length is 2.30 Å. In the third Tl site, Tl(3) is bonded in a 1-coordinate geometry to one Cd(2), three equivalent Cd(1), and one Tl(2) atom. In the fourth Tl site, Tl(4) is bonded in a single-bond geometry to one Cd(1), one Tl(1), and one Tl(2) atom.