data_Li2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.22
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   97.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AuCl
_chemical_formula_sum   'Li2 Au1 Cl1'
_cell_volume   73.32
_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  0.98  0.61  0.67  1.0
  Li  Li3  1  0.59  0.61  0.93  1.0
  Au  Au0  1  0.29  0.0  0.3  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Li2AuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.45
_cell_length_c   6.66
_cell_angle_alpha   97.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2AuCl
_chemical_formula_sum   'Li2 Au1 Cl1'
_cell_volume   73.32
_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  0.39  0.02  0.33  1.0
  Li  Li1  1  0.39  0.41  0.07  1.0
  Au  Au2  1  0.0  0.71  0.7  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Li Li Au Cl
Li Li Au Cl 0 1 o o o 0 1 + o o 0 3 + + + 1 3 + o + 1 3 + + + 2 3 o o o 
Li2AuCl crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Au(1) and one Cl(1) atom. The Li(1)-Au(1) bond length is 3.08 Å. The Li(1)-Cl(1) bond length is 2.50 Å. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to three equivalent Cl(1) atoms. There are a spread of Li(2)-Cl(1) bond distances ranging from 1.91-2.48 Å. Au(1) is bonded in a 1-coordinate geometry to one Li(1) and one Cl(1) atom. The Au(1)-Cl(1) bond length is 2.12 Å. Cl(1) is bonded in a 1-coordinate geometry to one Li(1), three equivalent Li(2), and one Au(1) atom.