data_Li2TlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   3.35
_cell_angle_alpha   91.31
_cell_angle_beta   91.31
_cell_angle_gamma   93.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlCd
_chemical_formula_sum   'Li2 Tl1 Cd1'
_cell_volume   77.87
_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  0.6  0.24  0.67  1.0
  Li  Li2  1  0.6  0.76  0.67  1.0
  Tl  Tl3  1  0.31  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_Li2TlCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   93.48
_cell_angle_beta   91.31
_cell_angle_gamma   91.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlCd
_chemical_formula_sum   'Li2 Tl1 Cd1'
_cell_volume   77.87
_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  0.67  0.6  0.24  1.0
  Li  Li1  1  0.67  0.6  0.76  1.0
  Tl  Tl2  1  -0.0  0.31  0.0  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

Li Li Tl Cd
Li2CdTl crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent Li(2), two equivalent Cd(1), and two equivalent Tl(1) atoms. There is one shorter (2.34 Å) and one longer (2.49 Å) Li(1)-Li(2) bond length. There is one shorter (2.56 Å) and one longer (3.25 Å) Li(1)-Cd(1) bond length. There is one shorter (2.11 Å) and one longer (2.82 Å) Li(1)-Tl(1) bond length. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent Li(1), one Cd(1), and two equivalent Tl(1) atoms. The Li(2)-Cd(1) bond length is 2.43 Å. There is one shorter (2.18 Å) and one longer (2.93 Å) Li(2)-Tl(1) bond length. Cd(1) is bonded in a 3-coordinate geometry to one Li(2), two equivalent Li(1), and one Tl(1) atom. The Cd(1)-Tl(1) bond length is 1.49 Å. Tl(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one Cd(1) atom.