data_Sc3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Au
_chemical_formula_sum   'Sc6 Au2'
_cell_volume   171.43
_cell_formula_units_Z   2
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
  Sc  Sc2  1  0.08  0.33  0.77  1.0
  Sc  Sc3  1  0.59  0.21  0.77  1.0
  Sc  Sc4  1  0.56  0.21  0.77  1.0
  Sc  Sc5  1  0.08  0.67  0.26  1.0
  Sc  Sc6  1  0.56  0.79  0.26  1.0
  Sc  Sc7  1  0.59  0.79  0.26  1.0
  Au  Au0  1  0.08  0.94  0.77  1.0
  Au  Au1  1  0.08  0.06  0.26  1.0

data_Sc3Au
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.03
_cell_length_b   6.15
_cell_length_c   6.33
_cell_angle_alpha   119.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sc3Au
_chemical_formula_sum   'Sc6 Au2'
_cell_volume   171.43
_cell_formula_units_Z   2
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
  Sc  Sc0  2  0.24  0.21  0.69  1.0
  Sc  Sc1  2  0.24  0.21  0.72  1.0
  Sc  Sc2  2  0.24  0.33  0.33  1.0
  Au  Au3  2  0.24  0.94  0.94  1.0

Sc Sc Sc Sc Sc Sc Au Au
Sc3Au crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Sc3Au clusters. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 1-coordinate geometry to one Au(1) atom. The Sc(1)-Au(1) bond length is 2.48 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Sc(3) atom. The Sc(2)-Sc(3) bond length is 0.17 Å. In the third Sc site, Sc(3) is bonded in a bent 150 degrees geometry to one Sc(2) and one Au(1) atom. The Sc(3)-Au(1) bond length is 2.62 Å. Au(1) is bonded in a 2-coordinate geometry to one Sc(1) and one Sc(3) atom.