data_LiHf2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   4.21
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2Al
_chemical_formula_sum   'Li1 Hf2 Al1'
_cell_volume   78.61
_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
  Li  Li3  1  0.0  0.0  0.11  1.0
  Hf  Hf1  1  0.0  0.0  0.02  1.0
  Hf  Hf2  1  0.53  0.11  0.5  1.0
  Al  Al0  1  0.53  0.11  0.58  1.0

data_LiHf2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.21
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2Al
_chemical_formula_sum   'Li1 Hf2 Al1'
_cell_volume   78.61
_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
  Li  Li0  1  0.0  0.0  0.11  1.0
  Hf  Hf1  1  0.0  0.0  0.02  1.0
  Hf  Hf2  1  0.53  0.11  0.5  1.0
  Al  Al3  1  0.53  0.11  0.58  1.0

Li Hf Hf Al
Li Hf Hf Al 0 1 o o o 2 3 o o o 
LiHfHfAl is alpha carbon monoxide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfAl cluster and one LiHf cluster. In the HfAl cluster, Hf(2) is bonded in a single-bond geometry to one Al(1) atom. The Hf(2)-Al(1) bond length is 0.54 Å. Al(1) is bonded in a single-bond geometry to one Hf(2) atom. In the LiHf cluster, Li(1) is bonded in a single-bond geometry to one Hf(1) atom. The Li(1)-Hf(1) bond length is 0.55 Å. Hf(1) is bonded in a single-bond geometry to one Li(1) atom.