data_ScAl2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71
_cell_length_b   9.71
_cell_length_c   9.71
_cell_angle_alpha   18.78
_cell_angle_beta   18.78
_cell_angle_gamma   18.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2In
_chemical_formula_sum   'Sc1 Al2 In1'
_cell_volume   82.84
_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  Sc3  1  0.0  0.0  0.34  1.0
  Al  Al0  1  0.0  0.0  0.52  1.0
  Al  Al1  1  0.0  0.0  0.27  1.0
  In  In2  1  0.0  0.0  0.37  1.0

data_ScAl2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   3.17
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   100.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScAl2In
_chemical_formula_sum   'Sc2 Al4 In2'
_cell_volume   165.67
_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  0.0  0.0  0.66  1.0
  Al  Al1  2  0.0  0.0  0.73  1.0
  Al  Al2  2  0.0  0.0  0.48  1.0
  In  In3  2  0.0  0.0  0.63  1.0

Sc Al Al In
ScInAl2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ScInAl2 clusters. Sc(1) is bonded in a linear geometry to one In(1) and one Al(2) atom. The Sc(1)-In(1) bond length is 0.28 Å. The Sc(1)-Al(2) bond length is 0.65 Å. In(1) is bonded in a distorted single-bond geometry to one Sc(1) and one Al(1) atom. The In(1)-Al(1) bond length is 1.42 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a single-bond geometry to one In(1) atom. In the second Al site, Al(2) is bonded in a single-bond geometry to one Sc(1) atom.