data_Li2TlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   120.97
_cell_angle_beta   120.97
_cell_angle_gamma   88.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlZn
_chemical_formula_sum   'Li2 Tl1 Zn1'
_cell_volume   71.51
_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  0.31  0.0  0.68  1.0
  Li  Li1  1  0.0  0.31  0.68  1.0
  Tl  Tl2  1  0.0  0.0  0.36  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_Li2TlZn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   134.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2TlZn
_chemical_formula_sum   'Li4 Tl2 Zn2'
_cell_volume   143.02
_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  4  0.35  0.35  0.37  1.0
  Tl  Tl1  2  0.0  0.0  0.36  1.0
  Zn  Zn2  2  0.0  0.0  0.0  1.0

Li Li Tl Zn
Li2ZnTl crystallizes in the monoclinic Cm space group. Li(1) is bonded in a distorted single-bond geometry to two equivalent Zn(1) and one Tl(1) atom. There is one shorter (2.56 Å) and one longer (2.79 Å) Li(1)-Zn(1) bond length. The Li(1)-Tl(1) bond length is 1.45 Å. Zn(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one Tl(1) atom. The Zn(1)-Tl(1) bond length is 1.68 Å. Tl(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Zn(1) atom.