data_TlCd2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.15
_cell_angle_alpha   91.5
_cell_angle_beta   91.5
_cell_angle_gamma   114.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2Tc
_chemical_formula_sum   'Tl1 Cd2 Tc1'
_cell_volume   81.87
_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  0.9  0.0  0.0  1.0
  Cd  Cd0  1  0.37  0.75  0.57  1.0
  Cd  Cd1  1  0.37  0.25  0.57  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0

data_TlCd2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   114.37
_cell_angle_beta   91.5
_cell_angle_gamma   91.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCd2Tc
_chemical_formula_sum   'Tl1 Cd2 Tc1'
_cell_volume   81.87
_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  0.9  0.0  1.0
  Cd  Cd1  1  0.57  0.37  0.75  1.0
  Cd  Cd2  1  0.57  0.37  0.25  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

Tl Cd Cd Tc
TcCd2Tl crystallizes in the triclinic P1 space group. Tc(1) is bonded in a single-bond geometry to two equivalent Cd(1), two equivalent Cd(2), and one Tl(1) atom. There is one shorter (3.11 Å) and one longer (3.32 Å) Tc(1)-Cd(1) bond length. There is one shorter (2.36 Å) and one longer (2.54 Å) Tc(1)-Cd(2) bond length. The Tc(1)-Tl(1) bond length is 0.55 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to two equivalent Tc(1), two equivalent Cd(1), two equivalent Cd(2), and two equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing CdTl2Cd4Tc2 hexagonal bipyramids. Both Cd(1)-Cd(1) bond lengths are 3.15 Å. There is one shorter (2.63 Å) and one longer (2.72 Å) Cd(1)-Cd(2) bond length. There is one shorter (2.84 Å) and one longer (3.19 Å) Cd(1)-Tl(1) bond length. In the second Cd site, Cd(2) is bonded in a 2-coordinate geometry to two equivalent Tc(1) and two equivalent Cd(1) atoms. Tl(1) is bonded in a single-bond geometry to one Tc(1) and two equivalent Cd(1) atoms.