data_Sr2HfAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   5.21
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfAl
_chemical_formula_sum   'Sr2 Hf1 Al1'
_cell_volume   121.1
_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  0.74  0.61  0.05  1.0
  Sr  Sr3  1  0.74  0.61  0.62  1.0
  Hf  Hf1  1  0.0  0.0  0.34  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_Sr2HfAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.21
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HfAl
_chemical_formula_sum   'Sr2 Hf1 Al1'
_cell_volume   121.1
_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  0.74  0.61  0.05  1.0
  Sr  Sr1  1  0.74  0.61  0.62  1.0
  Hf  Hf2  1  0.0  0.0  0.34  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

Sr Sr Hf Al
Sr2HfAl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sr2HfAl cluster. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to one Al(1) atom. The Sr(1)-Al(1) bond length is 2.26 Å. In the second Sr site, Sr(2) is bonded in a 1-coordinate geometry to one Hf(1) atom. The Sr(2)-Hf(1) bond length is 2.95 Å. Hf(1) is bonded in a 1-coordinate geometry to one Sr(2) and one Al(1) atom. The Hf(1)-Al(1) bond length is 2.24 Å. Al(1) is bonded in a 2-coordinate geometry to one Sr(1) and one Hf(1) atom.