data_TlCd2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   6.66
_cell_angle_alpha   153.99
_cell_angle_beta   140.53
_cell_angle_gamma   47.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2Co
_chemical_formula_sum   'Tl1 Cd2 Co1'
_cell_volume   82.08
_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  0.09  1.0
  Cd  Cd0  1  0.5  0.0  0.3  1.0
  Cd  Cd1  1  0.0  0.25  0.78  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0

data_TlCd2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.5
_cell_length_c   6.66
_cell_angle_alpha   109.73
_cell_angle_beta   103.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2Co
_chemical_formula_sum   'Tl1 Cd2 Co1'
_cell_volume   82.08
_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  0.0  0.09  0.09  1.0
  Cd  Cd1  1  0.0  0.3  0.8  1.0
  Cd  Cd2  1  0.75  0.54  0.54  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

Tl Cd Cd Co
CoCd2Tl crystallizes in the triclinic P1 space group. Co(1) is bonded in a single-bond geometry to one Cd(1), one Cd(2), and one Tl(1) atom. The Co(1)-Cd(1) bond length is 2.18 Å. The Co(1)-Cd(2) bond length is 3.02 Å. The Co(1)-Tl(1) bond length is 0.59 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 1-coordinate geometry to one Co(1) and two equivalent Cd(2) atoms. There is one shorter (2.35 Å) and one longer (3.31 Å) Cd(1)-Cd(2) bond length. In the second Cd site, Cd(2) is bonded in a 7-coordinate geometry to one Co(1), two equivalent Cd(1), two equivalent Cd(2), and two equivalent Tl(1) atoms. Both Cd(2)-Cd(2) bond lengths are 3.00 Å. There is one shorter (3.23 Å) and one longer (3.31 Å) Cd(2)-Tl(1) bond length. Tl(1) is bonded in a single-bond geometry to one Co(1) and two equivalent Cd(2) atoms.