data_Sc2AlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   146.36
_cell_angle_beta   131.9
_cell_angle_gamma   59.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlAu
_chemical_formula_sum   'Sc2 Al1 Au1'
_cell_volume   79.74
_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  0.0  0.0  0.21  1.0
  Sc  Sc3  1  0.0  0.36  0.45  1.0
  Al  Al0  1  0.0  0.0  0.73  1.0
  Au  Au1  1  0.68  0.0  0.66  1.0

data_Sc2AlAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.73
_cell_length_c   5.8
_cell_angle_alpha   114.05
_cell_angle_beta   106.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AlAu
_chemical_formula_sum   'Sc2 Al1 Au1'
_cell_volume   79.74
_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  Sc0  1  0.0  0.21  0.21  1.0
  Sc  Sc1  1  0.64  0.08  0.08  1.0
  Al  Al2  1  0.0  0.73  0.73  1.0
  Au  Au3  1  0.0  0.66  0.98  1.0

Sc Sc Al Au
Sc2AuAl crystallizes in the triclinic P1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to two equivalent Sc(2), two equivalent Au(1), and one Al(1) atom. There is one shorter (1.22 Å) and one longer (2.43 Å) Sc(1)-Sc(2) bond length. There is one shorter (2.36 Å) and one longer (2.93 Å) Sc(1)-Au(1) bond length. The Sc(1)-Al(1) bond length is 3.06 Å. In the second Sc site, Sc(2) is bonded in a 2-coordinate geometry to two equivalent Sc(1) and one Au(1) atom. The Sc(2)-Au(1) bond length is 2.30 Å. Au(1) is bonded in a distorted single-bond geometry to one Sc(2), two equivalent Sc(1), and one Al(1) atom. The Au(1)-Al(1) bond length is 1.62 Å. Al(1) is bonded in a single-bond geometry to one Sc(1) and one Au(1) atom.