data_Li2TlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   4.2
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlSb
_chemical_formula_sum   'Li2 Tl1 Sb1'
_cell_volume   90.07
_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
  Li  Li0  1  0.0  0.0  0.65  1.0
  Li  Li1  1  0.87  0.1  0.55  1.0
  Tl  Tl3  1  0.87  0.1  0.44  1.0
  Sb  Sb2  1  0.0  0.0  0.73  1.0

data_Li2TlSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.2
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlSb
_chemical_formula_sum   'Li2 Tl1 Sb1'
_cell_volume   90.07
_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
  Li  Li0  1  0.0  0.0  0.65  1.0
  Li  Li1  1  0.87  0.1  0.55  1.0
  Tl  Tl2  1  0.87  0.1  0.44  1.0
  Sb  Sb3  1  0.0  0.0  0.73  1.0

Li Li Tl Sb
Li Li Tl Sb 0 3 o o o 1 2 o o o 
Li2TlSb is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2TlSb cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to one Li(2) and one Sb(1) atom. The Li(1)-Li(2) bond length is 0.87 Å. The Li(1)-Sb(1) bond length is 0.49 Å. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one Li(1) and one Tl(1) atom. The Li(2)-Tl(1) bond length is 0.64 Å. Tl(1) is bonded in a single-bond geometry to one Li(2) atom. Sb(1) is bonded in a single-bond geometry to one Li(1) atom.