data_TiTl2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl2Tc
_chemical_formula_sum   'Ti1 Tl2 Tc1'
_cell_volume   85.62
_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
  Ti  Ti1  1  0.0  0.0  0.61  1.0
  Tl  Tl2  1  0.63  0.63  0.77  1.0
  Tl  Tl3  1  0.0  0.0  0.44  1.0
  Tc  Tc0  1  0.63  0.63  0.43  1.0

data_TiTl2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiTl2Tc
_chemical_formula_sum   'Ti2 Tl4 Tc2'
_cell_volume   171.23
_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
  Ti  Ti0  2  0.0  0.0  0.61  1.0
  Tl  Tl1  2  0.0  0.0  0.44  1.0
  Tl  Tl2  2  0.13  0.5  0.77  1.0
  Tc  Tc3  2  0.13  0.5  0.43  1.0

Ti Tl Tl Tc
TiTcTl2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiTcTl2 clusters. Ti(1) is bonded in a distorted single-bond geometry to one Tl(1) and one Tl(2) atom. The Ti(1)-Tl(1) bond length is 2.13 Å. The Ti(1)-Tl(2) bond length is 1.40 Å. Tc(1) is bonded in a 1-coordinate geometry to one Tl(2) atom. The Tc(1)-Tl(2) bond length is 1.72 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one Ti(1) atom. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one Ti(1) and one Tc(1) atom.