data_Sc2TiAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   143.32
_cell_angle_beta   132.33
_cell_angle_gamma   61.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TiAl
_chemical_formula_sum   'Sc2 Ti1 Al1'
_cell_volume   80.11
_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  Sc1  1  0.0  0.3  0.63  1.0
  Sc  Sc2  1  0.79  0.0  0.25  1.0
  Ti  Ti3  1  0.0  0.0  0.88  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_Sc2TiAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.59
_cell_length_c   5.68
_cell_angle_alpha   113.84
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TiAl
_chemical_formula_sum   'Sc2 Ti1 Al1'
_cell_volume   80.11
_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  0.25  0.47  1.0
  Sc  Sc1  1  0.7  0.33  0.33  1.0
  Ti  Ti2  1  0.0  0.88  0.88  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

Sc Sc Ti Al
(Sc)2TiAl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one alumanylidynetitanium molecule and one scandium molecule.