data_Sc2CuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CuAu
_chemical_formula_sum   'Sc2 Cu1 Au1'
_cell_volume   74.26
_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
  Sc  Sc2  1  0.67  0.67  0.59  1.0
  Sc  Sc3  1  0.67  0.67  0.08  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.33  1.0

data_Sc2CuAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2CuAu
_chemical_formula_sum   'Sc4 Cu2 Au2'
_cell_volume   148.52
_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
  Sc  Sc0  2  0.17  0.5  0.08  1.0
  Sc  Sc1  2  0.17  0.5  0.59  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.33  1.0

Sc Sc Cu Au
Sc2AuCu crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Sc2AuCu clusters. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted single-bond geometry to one Au(1) atom. The Sc(1)-Au(1) bond length is 2.32 Å. In the second Sc site, Sc(2) is bonded in a 1-coordinate geometry to one Au(1) and one Cu(1) atom. The Sc(2)-Au(1) bond length is 2.32 Å. The Sc(2)-Cu(1) bond length is 1.64 Å. Au(1) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(2), and one Cu(1) atom. The Au(1)-Cu(1) bond length is 2.22 Å. Cu(1) is bonded in a 1-coordinate geometry to one Sc(2) and one Au(1) atom.