data_TlCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   8.32
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2
_chemical_formula_sum   'Tl2 Cd4'
_cell_volume   166.91
_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  Tl4  1  0.0  0.0  0.0  1.0
  Tl  Tl5  1  0.04  0.16  0.65  1.0
  Cd  Cd0  1  0.64  0.46  0.0  1.0
  Cd  Cd1  1  0.44  0.86  0.0  1.0
  Cd  Cd2  1  0.68  0.02  0.65  1.0
  Cd  Cd3  1  0.4  0.3  0.65  1.0

data_TlCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   6.08
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2
_chemical_formula_sum   'Tl2 Cd4'
_cell_volume   166.91
_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  0.65  0.04  0.16  1.0
  Cd  Cd2  1  0.0  0.44  0.86  1.0
  Cd  Cd3  1  0.0  0.64  0.46  1.0
  Cd  Cd4  1  0.65  0.4  0.3  1.0
  Cd  Cd5  1  0.65  0.68  0.02  1.0

Tl Tl Cd Cd Cd Cd
Cd2Tl crystallizes in the triclinic P1 space group. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 1-coordinate geometry to one Cd(2) and two equivalent Cd(4) atoms. The Cd(1)-Cd(2) bond length is 3.56 Å. There is one shorter (2.29 Å) and one longer (2.92 Å) Cd(1)-Cd(4) bond length. In the second Cd site, Cd(2) is bonded in a 6-coordinate geometry to one Cd(1), two equivalent Cd(2), two equivalent Cd(3), and one Tl(1) atom. Both Cd(2)-Cd(2) bond lengths are 3.30 Å. There is one shorter (2.29 Å) and one longer (2.92 Å) Cd(2)-Cd(3) bond length. The Cd(2)-Tl(1) bond length is 2.89 Å. In the third Cd site, Cd(3) is bonded in a 6-coordinate geometry to one Cd(4), two equivalent Cd(2), one Tl(2), and two equivalent Tl(1) atoms. The Cd(3)-Cd(4) bond length is 2.86 Å. The Cd(3)-Tl(2) bond length is 2.48 Å. There is one shorter (2.28 Å) and one longer (2.92 Å) Cd(3)-Tl(1) bond length. In the fourth Cd site, Cd(4) is bonded in a 6-coordinate geometry to one Cd(3), two equivalent Cd(1), two equivalent Cd(4), and one Tl(2) atom. Both Cd(4)-Cd(4) bond lengths are 3.30 Å. The Cd(4)-Tl(2) bond length is 2.48 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 5-coordinate geometry to one Cd(2), two equivalent Cd(3), and two equivalent Tl(2) atoms. There is one shorter (1.78 Å) and one longer (2.54 Å) Tl(1)-Tl(2) bond length. In the second Tl site, Tl(2) is bonded in a 4-coordinate geometry to one Cd(3), one Cd(4), and two equivalent Tl(1) atoms.