data_TiAl2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.92
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2Sn
_chemical_formula_sum   'Ti1 Al2 Sn1'
_cell_volume   73.44
_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
  Ti  Ti3  1  0.0  0.0  0.45  1.0
  Al  Al0  1  0.61  0.96  0.82  1.0
  Al  Al1  1  0.0  0.0  0.35  1.0
  Sn  Sn2  1  0.61  0.96  0.95  1.0

data_TiAl2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.92
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2Sn
_chemical_formula_sum   'Ti1 Al2 Sn1'
_cell_volume   73.44
_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
  Ti  Ti0  1  0.0  0.0  0.45  1.0
  Al  Al1  1  0.0  0.0  0.35  1.0
  Al  Al2  1  0.61  0.96  0.82  1.0
  Sn  Sn3  1  0.61  0.96  0.95  1.0

Ti Al Al Sn
TiAlAlSn is High Pressure Cadmuum Telluride structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one alumanylidynetitanium molecule and one AlSn cluster. In the AlSn cluster, Al(1) is bonded in a single-bond geometry to one Sn(1) atom. The Al(1)-Sn(1) bond length is 0.75 Å. Sn(1) is bonded in a single-bond geometry to one Al(1) atom.