data_HfNbCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34
_cell_length_b   9.34
_cell_length_c   9.34
_cell_angle_alpha   17.65
_cell_angle_beta   17.65
_cell_angle_gamma   17.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbCu2
_chemical_formula_sum   'Hf1 Nb1 Cu2'
_cell_volume   65.29
_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  0.78  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.92  1.0
  Cu  Cu1  1  0.0  0.0  0.64  1.0

data_HfNbCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   2.86
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   100.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNbCu2
_chemical_formula_sum   'Hf2 Nb2 Cu4'
_cell_volume   130.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.22  1.0
  Nb  Nb1  2  0.0  0.0  0.0  1.0
  Cu  Cu2  2  0.0  0.0  0.08  1.0
  Cu  Cu3  2  0.0  0.0  0.36  1.0

Hf Nb Cu Cu
HfNbCu2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfNbCu2 clusters. Hf(1) is bonded in a linear geometry to one Cu(1) and one Cu(2) atom. The Hf(1)-Cu(1) bond length is 1.30 Å. The Hf(1)-Cu(2) bond length is 1.30 Å. Nb(1) is bonded in a single-bond geometry to one Cu(1) atom. The Nb(1)-Cu(1) bond length is 0.73 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one Hf(1) and one Nb(1) atom. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Hf(1) atom.