data_Li2BiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   130.39
_cell_angle_beta   128.29
_cell_angle_gamma   74.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BiAu
_chemical_formula_sum   'Li2 Bi1 Au1'
_cell_volume   77.51
_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  Li2  1  0.14  0.0  0.97  1.0
  Li  Li3  1  0.0  0.23  0.09  1.0
  Bi  Bi1  1  0.0  0.0  0.06  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Li2BiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.45
_cell_length_c   5.1
_cell_angle_alpha   115.85
_cell_angle_beta   114.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BiAu
_chemical_formula_sum   'Li2 Bi1 Au1'
_cell_volume   77.51
_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  0.17  0.03  0.17  1.0
  Li  Li1  1  0.91  0.14  0.14  1.0
  Bi  Bi2  1  0.94  0.94  0.94  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

Li Li Bi Au
Li2AuBi is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2AuBi cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Au(1) atom. The Li(1)-Au(1) bond length is 0.81 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Au(1) atom. The Li(2)-Au(1) bond length is 0.92 Å. Au(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Bi(1) atom. The Au(1)-Bi(1) bond length is 0.33 Å. Bi(1) is bonded in a single-bond geometry to one Au(1) atom.