data_Li2HgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HgAu
_chemical_formula_sum   'Li2 Hg1 Au1'
_cell_volume   70.53
_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  0.0  0.0  0.12  1.0
  Li  Li3  1  0.36  0.0  0.49  1.0
  Hg  Hg1  1  0.36  0.0  0.39  1.0
  Au  Au0  1  0.0  0.0  0.34  1.0

data_Li2HgAu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Li2HgAu
_chemical_formula_sum   'Li2 Hg1 Au1'
_cell_volume   70.57
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.12  1.0
  Li  Li1  1  0.36  0.0  0.49  1.0
  Hg  Hg2  1  0.36  0.0  0.39  1.0
  Au  Au3  1  0.0  0.0  0.34  1.0

Li Li Hg Au
Li Li Hg Au 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
Li2AuHg crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one Li2AuHg 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 1.34 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Hg(1) atom. The Li(2)-Hg(1) bond length is 0.60 Å. Au(1) is bonded in a distorted water-like geometry to one Li(1) and one Hg(1) atom. The Au(1)-Hg(1) bond length is 1.27 Å. Hg(1) is bonded in a distorted single-bond geometry to one Li(2) and one Au(1) atom.