data_Sc2InAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   146.48
_cell_angle_beta   132.46
_cell_angle_gamma   59.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InAu
_chemical_formula_sum   'Sc2 In1 Au1'
_cell_volume   86.65
_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  0.41  0.2  1.0
  Sc  Sc3  1  0.0  0.0  0.86  1.0
  In  In1  1  0.0  0.0  0.55  1.0
  Au  Au0  1  0.73  0.0  0.19  1.0

data_Sc2InAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.83
_cell_length_c   5.99
_cell_angle_alpha   113.77
_cell_angle_beta   106.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InAu
_chemical_formula_sum   'Sc2 In1 Au1'
_cell_volume   86.65
_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  0.86  0.86  1.0
  Sc  Sc1  1  0.59  0.79  0.79  1.0
  In  In2  1  0.0  0.55  0.55  1.0
  Au  Au3  1  0.0  0.19  0.46  1.0

Sc Sc In Au
Sc2AuIn crystallizes in the triclinic P1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 2-coordinate geometry to two equivalent Sc(2) and one In(1) atom. There is one shorter (1.37 Å) and one longer (2.20 Å) Sc(1)-Sc(2) bond length. The Sc(1)-In(1) bond length is 2.11 Å. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to two equivalent Sc(1), two equivalent Au(1), and one In(1) atom. There is one shorter (3.31 Å) and one longer (3.35 Å) Sc(2)-Au(1) bond length. The Sc(2)-In(1) bond length is 1.86 Å. Au(1) is bonded in a single-bond geometry to two equivalent Sc(2) and one In(1) atom. The Au(1)-In(1) bond length is 1.60 Å. In(1) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(2), and one Au(1) atom.