data_LiSc2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc2Au
_chemical_formula_sum   'Li1 Sc2 Au1'
_cell_volume   79.87
_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  0.0  0.76  1.0
  Sc  Sc2  1  0.74  0.74  0.45  1.0
  Sc  Sc3  1  0.0  0.0  0.91  1.0
  Au  Au0  1  0.74  0.74  0.45  1.0

data_LiSc2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiSc2Au
_chemical_formula_sum   'Li2 Sc4 Au2'
_cell_volume   159.74
_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  0.76  1.0
  Sc  Sc1  2  0.0  0.0  0.91  1.0
  Sc  Sc2  2  0.24  0.5  0.45  1.0
  Au  Au3  2  0.24  0.5  0.45  1.0

LiSc2Au is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiSc2Au clusters. Li(1) is bonded in a bent 150 degrees geometry to one Sc(2) and one Au(1) atom. The Li(1)-Sc(2) bond length is 1.01 Å. The Li(1)-Au(1) bond length is 2.43 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a single-bond geometry to one Au(1) atom. The Sc(1)-Au(1) bond length is 0.00 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Li(1) atom. Au(1) is bonded in a single-bond geometry to one Li(1) and one Sc(1) atom.