data_LiAl2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2Tl
_chemical_formula_sum   'Li1 Al2 Tl1'
_cell_volume   78.0
_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  Li2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.07  0.0  0.28  1.0
  Al  Al1  1  0.0  0.07  0.28  1.0
  Tl  Tl3  1  0.07  0.07  0.0  1.0

data_LiAl2Tl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiAl2Tl
_chemical_formula_sum   'Li2 Al4 Tl2'
_cell_volume   156.0
_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  0.0  1.0
  Al  Al1  4  0.03  0.03  0.28  1.0
  Tl  Tl2  2  0.07  0.0  0.0  1.0

Li Al Al Tl
LiTl(Al)2 is alpha carbon monoxide-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two dialuminium molecules and two LiTl clusters. In each LiTl cluster, Li(1) is bonded in a single-bond geometry to one Tl(1) atom. The Li(1)-Tl(1) bond length is 0.40 Å. Tl(1) is bonded in a single-bond geometry to one Li(1) atom.