data_LiTaPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   4.6
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaPb2
_chemical_formula_sum   'Li1 Ta1 Pb2'
_cell_volume   91.77
_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  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.77  0.0  0.82  1.0
  Pb  Pb1  1  0.0  0.3  0.82  1.0
  Pb  Pb2  1  0.77  0.3  0.0  1.0

data_LiTaPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.6
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaPb2
_chemical_formula_sum   'Li1 Ta1 Pb2'
_cell_volume   91.77
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.77  0.0  0.82  1.0
  Pb  Pb2  1  0.0  0.3  0.82  1.0
  Pb  Pb3  1  0.77  0.3  -0.0  1.0

Li Ta Pb Pb
Li Ta Pb Pb 0 1 - o - 2 3 - o + 
LiTaPb2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiTaPb2 cluster. Li(1) is bonded in a 3-coordinate geometry to one Ta(1), one Pb(1), and one Pb(2) atom. The Li(1)-Ta(1) bond length is 1.30 Å. The Li(1)-Pb(1) bond length is 1.71 Å. The Li(1)-Pb(2) bond length is 1.61 Å. Ta(1) is bonded in a 3-coordinate geometry to one Li(1), one Pb(1), and one Pb(2) atom. The Ta(1)-Pb(1) bond length is 1.61 Å. The Ta(1)-Pb(2) bond length is 1.71 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one Li(1), one Ta(1), and one Pb(2) atom. The Pb(1)-Pb(2) bond length is 1.30 Å. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one Li(1), one Ta(1), and one Pb(1) atom.