data_LiB2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   3.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB2Au
_chemical_formula_sum   'Li1 B2 Au1'
_cell_volume   38.63
_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  Li3  1  0.0  0.0  0.0  1.0
  B  B1  1  0.68  0.0  0.7  1.0
  B  B2  1  0.0  0.68  0.7  1.0
  Au  Au0  1  0.68  0.68  0.0  1.0

data_LiB2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   3.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiB2Au
_chemical_formula_sum   'Li2 B4 Au2'
_cell_volume   77.25
_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  2  0.0  0.0  0.0  1.0
  B  B1  4  0.34  0.34  0.7  1.0
  Au  Au2  2  0.18  0.5  0.0  1.0

Li B B Au
Li B B Au 0 3 - - o 0 1 - o - 0 2 o - - 1 2 + - o 1 3 o - + 2 3 - o + 
LiAuB2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiAuB2 clusters. Li(1) is bonded in a 3-coordinate geometry to one Au(1) and two equivalent B(1) atoms. The Li(1)-Au(1) bond length is 1.51 Å. Both Li(1)-B(1) bond lengths are 1.47 Å. Au(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent B(1) atoms. Both Au(1)-B(1) bond lengths are 1.47 Å. B(1) is bonded in a 2-coordinate geometry to one Li(1) and one Au(1) atom.