data_Li2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2PbAu
_chemical_formula_sum   'Li2 Pb1 Au1'
_cell_volume   74.45
_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  0.23  0.87  1.0
  Li  Li2  1  0.23  0.0  0.87  1.0
  Pb  Pb3  1  0.23  0.23  0.0  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Li2PbAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2PbAu
_chemical_formula_sum   'Li4 Pb2 Au2'
_cell_volume   148.9
_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  0.12  0.12  0.87  1.0
  Pb  Pb1  2  0.23  0.0  0.0  1.0
  Au  Au2  2  0.0  0.0  0.0  1.0

Li Li Pb Au
Li Li Pb Au 0 3 o o + 0 2 o o + 1 3 o o + 1 2 o o + 
Li2AuPb is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2AuPb clusters. Li(1) is bonded in a distorted L-shaped geometry to one Au(1) and one Pb(1) atom. The Li(1)-Au(1) bond length is 1.16 Å. The Li(1)-Pb(1) bond length is 1.16 Å. Au(1) is bonded in a distorted L-shaped geometry to two equivalent Li(1) atoms. Pb(1) is bonded in a distorted L-shaped geometry to two equivalent Li(1) atoms.