data_KLi2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   6.71
_cell_angle_alpha   102.11
_cell_angle_beta   102.11
_cell_angle_gamma   41.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Tl
_chemical_formula_sum   'K1 Li2 Tl1'
_cell_volume   123.68
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.24  0.0  0.13  1.0
  Li  Li2  1  0.3  0.0  0.41  1.0
  Tl  Tl3  1  0.27  0.0  0.27  1.0

data_KLi2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   5.36
_cell_length_c   6.71
_cell_angle_alpha   102.11
_cell_angle_beta   90.0
_cell_angle_gamma   110.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLi2Tl
_chemical_formula_sum   'K1 Li2 Tl1'
_cell_volume   123.68
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.7  0.59  1.0
  Li  Li2  1  0.0  0.76  0.87  1.0
  Tl  Tl3  1  0.0  0.73  0.73  1.0

K Li Li Tl
KLi2Tl is Cyanogen Chloride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KLi2Tl cluster. K(1) is bonded in a single-bond geometry to one Li(1) atom. The K(1)-Li(1) bond length is 1.41 Å. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Tl(1) atom. The Li(1)-Tl(1) bond length is 0.90 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Tl(1) atom. The Li(2)-Tl(1) bond length is 0.90 Å. Tl(1) is bonded in a linear geometry to one Li(1) and one Li(2) atom.