data_SrTiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   28.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTiAl2
_chemical_formula_sum   'Sr1 Ti1 Al2'
_cell_volume   95.01
_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
  Sr  Sr2  1  0.16  0.0  0.16  1.0
  Ti  Ti3  1  0.0  0.0  0.21  1.0
  Al  Al0  1  0.16  0.0  0.38  1.0
  Al  Al1  1  0.0  0.0  0.94  1.0

data_SrTiAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.33
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   104.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTiAl2
_chemical_formula_sum   'Sr1 Ti1 Al2'
_cell_volume   95.01
_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
  Sr  Sr0  1  0.84  0.16  0.84  1.0
  Ti  Ti1  1  0.79  0.0  0.79  1.0
  Al  Al2  1  0.06  0.0  0.06  1.0
  Al  Al3  1  0.62  0.16  0.62  1.0

Sr Ti Al Al
Sr Ti Al Al 0 1 o o o 0 2 o o o 0 3 o o - 1 2 o o o 1 3 o o - 
SrTiAl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrTiAl2 cluster. Sr(1) is bonded in a single-bond geometry to one Ti(1), one Al(1), and one Al(2) atom. The Sr(1)-Ti(1) bond length is 0.77 Å. The Sr(1)-Al(1) bond length is 1.43 Å. The Sr(1)-Al(2) bond length is 1.65 Å. Ti(1) is bonded in a single-bond geometry to one Sr(1) and one Al(1) atom. The Ti(1)-Al(1) bond length is 1.34 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to one Sr(1) and one Ti(1) atom. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to one Sr(1) atom.