data_Li2BiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   135.52
_cell_angle_beta   135.18
_cell_angle_gamma   64.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BiPb
_chemical_formula_sum   'Li2 Bi1 Pb1'
_cell_volume   97.24
_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  0.82  1.0
  Li  Li2  1  0.21  0.0  0.45  1.0
  Bi  Bi0  1  0.0  0.23  0.5  1.0
  Pb  Pb3  1  0.0  0.0  0.95  1.0

data_Li2BiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.46
_cell_length_c   5.85
_cell_angle_alpha   112.41
_cell_angle_beta   112.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BiPb
_chemical_formula_sum   'Li2 Bi1 Pb1'
_cell_volume   97.24
_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  0.18  0.18  0.18  1.0
  Li  Li1  1  0.76  0.55  0.76  1.0
  Bi  Bi2  1  0.5  0.73  0.73  1.0
  Pb  Pb3  1  0.05  0.05  0.05  1.0

Li Li Bi Pb
Li2PbBi is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2PbBi cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Pb(1) atom. The Li(1)-Pb(1) bond length is 0.79 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Pb(1) and one Bi(1) atom. The Li(2)-Pb(1) bond length is 2.21 Å. The Li(2)-Bi(1) bond length is 1.40 Å. Pb(1) is bonded in a distorted single-bond geometry to one Li(1) and one Li(2) atom. Bi(1) is bonded in a single-bond geometry to one Li(2) atom.