data_LiLaTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.6
_cell_angle_alpha   104.69
_cell_angle_beta   104.69
_cell_angle_gamma   39.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaTl2
_chemical_formula_sum   'Li1 La1 Tl2'
_cell_volume   114.77
_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  Li1  1  0.71  0.0  0.99  1.0
  La  La0  1  0.72  0.0  0.79  1.0
  Tl  Tl2  1  0.81  0.0  0.19  1.0
  Tl  Tl3  1  0.67  0.0  0.11  1.0

data_LiLaTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   5.6
_cell_length_c   5.78
_cell_angle_alpha   104.69
_cell_angle_beta   109.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaTl2
_chemical_formula_sum   'Li1 La1 Tl2'
_cell_volume   114.77
_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  0.99  0.71  1.0
  La  La1  1  0.0  0.79  0.72  1.0
  Tl  Tl2  1  0.0  0.11  0.67  1.0
  Tl  Tl3  1  0.0  0.19  0.81  1.0

Li La Tl Tl
LiLaTl2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiLaTl2 cluster. Li(1) is bonded in a 3-coordinate geometry to one La(1), one Tl(1), and one Tl(2) atom. The Li(1)-La(1) bond length is 1.14 Å. The Li(1)-Tl(1) bond length is 1.15 Å. The Li(1)-Tl(2) bond length is 0.80 Å. La(1) is bonded in a single-bond geometry to one Li(1) atom. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 2-coordinate geometry to one Li(1) and one Tl(2) atom. The Tl(1)-Tl(2) bond length is 0.85 Å. In the second Tl site, Tl(2) is bonded in a distorted L-shaped geometry to one Li(1) and one Tl(1) atom.