data_NaLiTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   3.73
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiTl2
_chemical_formula_sum   'Na1 Li1 Tl2'
_cell_volume   99.73
_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
  Na  Na1  1  0.0  0.0  0.78  1.0
  Li  Li0  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.76  0.87  0.92  1.0
  Tl  Tl3  1  0.76  0.87  0.65  1.0

data_NaLiTl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.73
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiTl2
_chemical_formula_sum   'Na1 Li1 Tl2'
_cell_volume   99.73
_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
  Na  Na0  1  0.0  0.0  0.78  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.76  0.87  0.65  1.0
  Tl  Tl3  1  0.76  0.87  0.92  1.0

Na Li Tl Tl
Na Li Tl Tl 0 3 - - o 0 2 - - o 0 1 o o + 1 2 - - - 
NaLiTl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaLiTl2 cluster. Na(1) is bonded in a distorted L-shaped geometry to one Tl(1) and one Tl(2) atom. The Na(1)-Tl(1) bond length is 1.40 Å. The Na(1)-Tl(2) bond length is 1.40 Å. Li(1) is bonded in a distorted single-bond geometry to one Tl(1) atom. The Li(1)-Tl(1) bond length is 1.15 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted L-shaped geometry to one Na(1) and one Li(1) atom. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Na(1) atom.