data_Li2TlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   3.33
_cell_angle_alpha   90.98
_cell_angle_beta   90.98
_cell_angle_gamma   94.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlZn
_chemical_formula_sum   'Li2 Tl1 Zn1'
_cell_volume   71.63
_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  0.54  0.3  0.66  1.0
  Li  Li1  1  0.54  0.7  0.66  1.0
  Tl  Tl2  1  0.16  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_Li2TlZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   94.2
_cell_angle_beta   90.98
_cell_angle_gamma   90.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TlZn
_chemical_formula_sum   'Li2 Tl1 Zn1'
_cell_volume   71.63
_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  0.66  0.54  0.3  1.0
  Li  Li1  1  0.66  0.54  0.7  1.0
  Tl  Tl2  1  0.0  0.16  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

Li Li Tl Zn
Li2ZnTl crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one Li(2), one Zn(1), and two equivalent Tl(1) atoms. The Li(1)-Li(2) bond length is 1.87 Å. The Li(1)-Zn(1) bond length is 2.86 Å. There is one shorter (2.45 Å) and one longer (3.05 Å) Li(1)-Tl(1) bond length. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Li(1), one Zn(1), and one Tl(1) atom. The Li(2)-Zn(1) bond length is 2.68 Å. The Li(2)-Tl(1) bond length is 2.57 Å. Zn(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Tl(1) atom. The Zn(1)-Tl(1) bond length is 0.76 Å. Tl(1) is bonded in a 3-coordinate geometry to one Li(2), two equivalent Li(1), and one Zn(1) atom.