data_Tl2CrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CrCd
_chemical_formula_sum   'Tl2 Cr1 Cd1'
_cell_volume   97.21
_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  Tl2  1  0.83  0.83  0.69  1.0
  Tl  Tl3  1  0.83  0.83  0.53  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.61  1.0

data_Tl2CrCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2CrCd
_chemical_formula_sum   'Tl4 Cr2 Cd2'
_cell_volume   194.41
_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  0.33  0.5  0.53  1.0
  Tl  Tl1  2  0.33  0.5  0.69  1.0
  Cr  Cr2  2  0.0  0.0  0.0  1.0
  Cd  Cd3  2  0.0  0.0  0.61  1.0

Tl Tl Cr Cd
Tl Tl Cr Cd 0 3 + + o 0 1 o o o 0 2 + + + 1 3 + + o 2 3 o o - 
CrCdTl2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CrCdTl2 clusters. Cr(1) is bonded in a single-bond geometry to one Tl(1) atom. The Cr(1)-Tl(1) bond length is 2.38 Å. Cd(1) is bonded in a 2-coordinate geometry to one Tl(1) and one Tl(2) atom. The Cd(1)-Tl(1) bond length is 1.04 Å. The Cd(1)-Tl(2) bond length is 1.04 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one Cr(1), one Cd(1), and one Tl(2) atom. The Tl(1)-Tl(2) bond length is 1.19 Å. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one Cd(1) and one Tl(1) atom.