data_TiTlSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlSi2
_chemical_formula_sum   'Ti1 Tl1 Si2'
_cell_volume   72.39
_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  Ti2  1  0.0  0.0  0.8  1.0
  Tl  Tl3  1  0.68  0.68  0.83  1.0
  Si  Si0  1  0.0  0.0  0.35  1.0
  Si  Si1  1  0.68  0.68  0.57  1.0

data_TiTlSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiTlSi2
_chemical_formula_sum   'Ti2 Tl2 Si4'
_cell_volume   144.79
_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  0.8  1.0
  Tl  Tl1  2  0.18  0.5  0.83  1.0
  Si  Si2  2  0.0  0.0  0.35  1.0
  Si  Si3  2  0.18  0.5  0.57  1.0

Ti Tl Si Si
TiTlSi2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiTlSi2 clusters. Ti(1) is bonded in a 1-coordinate geometry to one Tl(1) atom. The Ti(1)-Tl(1) bond length is 1.51 Å. Tl(1) is bonded in a distorted L-shaped geometry to one Ti(1) and one Si(2) atom. The Tl(1)-Si(2) bond length is 1.65 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted single-bond geometry to one Si(2) atom. The Si(1)-Si(2) bond length is 2.05 Å. In the second Si site, Si(2) is bonded in a distorted single-bond geometry to one Tl(1) and one Si(1) atom.