data_TiAlTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   137.16
_cell_angle_beta   137.16
_cell_angle_gamma   62.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlTl2
_chemical_formula_sum   'Ti1 Al1 Tl2'
_cell_volume   84.01
_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  0.08  0.0  0.43  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.0  0.87  1.0
  Tl  Tl3  1  0.0  0.08  0.43  1.0

data_TiAlTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   5.69
_cell_angle_alpha   111.42
_cell_angle_beta   111.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlTl2
_chemical_formula_sum   'Ti1 Al1 Tl2'
_cell_volume   84.01
_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  Ti0  1  0.57  0.0  0.64  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.13  0.0  0.13  1.0
  Tl  Tl3  1  0.64  0.08  0.64  1.0

Ti Al Tl Tl
Ti Al Tl Tl 0 3 o o o 1 2 o o - 
TiTlTlAl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one aluminum;thallium molecule and one TiTl cluster. In the TiTl cluster, Ti(1) is bonded in a single-bond geometry to one Tl(2) atom. The Ti(1)-Tl(2) bond length is 0.45 Å. Tl(2) is bonded in a single-bond geometry to one Ti(1) atom.