data_LiTl2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl2Ag
_chemical_formula_sum   'Li1 Tl2 Ag1'
_cell_volume   92.36
_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  0.0  0.0  0.43  1.0
  Tl  Tl2  1  0.74  0.74  0.3  1.0
  Tl  Tl3  1  0.0  0.0  0.18  1.0
  Ag  Ag0  1  0.74  0.74  0.16  1.0

data_LiTl2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiTl2Ag
_chemical_formula_sum   'Li2 Tl4 Ag2'
_cell_volume   184.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.43  1.0
  Tl  Tl1  2  0.0  0.0  0.18  1.0
  Tl  Tl2  2  0.24  0.5  0.3  1.0
  Ag  Ag3  2  0.24  0.5  0.16  1.0

Li Tl Tl Ag
LiAgTl2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiAgTl2 clusters. Li(1) is bonded in a 2-coordinate geometry to one Tl(1) and one Tl(2) atom. The Li(1)-Tl(1) bond length is 1.63 Å. The Li(1)-Tl(2) bond length is 1.93 Å. Ag(1) is bonded in a distorted single-bond geometry to one Tl(1) and one Tl(2) atom. The Ag(1)-Tl(1) bond length is 1.08 Å. The Ag(1)-Tl(2) bond length is 1.29 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Ag(1) atom. In the second Tl site, Tl(2) is bonded in a distorted water-like geometry to one Li(1) and one Ag(1) atom.