data_Hf2AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.93
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlCu
_chemical_formula_sum   'Hf2 Al1 Cu1'
_cell_volume   73.47
_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
  Hf  Hf2  1  0.0  0.0  0.94  1.0
  Hf  Hf3  1  0.55  0.96  0.6  1.0
  Al  Al0  1  0.0  0.0  0.05  1.0
  Cu  Cu1  1  0.55  0.96  0.46  1.0

data_Hf2AlCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.93
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlCu
_chemical_formula_sum   'Hf2 Al1 Cu1'
_cell_volume   73.47
_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
  Hf  Hf0  1  0.0  0.0  0.94  1.0
  Hf  Hf1  1  0.55  0.96  0.6  1.0
  Al  Al2  1  0.0  0.0  0.05  1.0
  Cu  Cu3  1  0.55  0.96  0.46  1.0

Hf Hf Al Cu
CuHfHfAl is alpha oxygen-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CuHf cluster and one HfAl cluster. In the CuHf cluster, Hf(2) is bonded in a single-bond geometry to one Cu(1) atom. The Hf(2)-Cu(1) bond length is 0.89 Å. Cu(1) is bonded in a single-bond geometry to one Hf(2) atom. In the HfAl cluster, Hf(1) is bonded in a single-bond geometry to one Al(1) atom. The Hf(1)-Al(1) bond length is 0.69 Å. Al(1) is bonded in a single-bond geometry to one Hf(1) atom.