data_HfCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   4.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   142.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo2
_chemical_formula_sum   'Hf2 Co4'
_cell_volume   83.29
_cell_formula_units_Z   2
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  Hf4  1  0.82  0.27  0.07  1.0
  Hf  Hf5  1  0.82  0.73  0.21  1.0
  Co  Co0  1  0.82  0.62  0.07  1.0
  Co  Co1  1  0.82  0.38  0.21  1.0
  Co  Co2  1  0.82  0.33  0.21  1.0
  Co  Co3  1  0.82  0.67  0.07  1.0

data_HfCo2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.64
_cell_length_b   4.29
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   108.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HfCo2
_chemical_formula_sum   'Hf2 Co4'
_cell_volume   83.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.27  0.57  0.27  1.0
  Co  Co1  2  0.33  0.43  0.33  1.0
  Co  Co2  2  0.38  0.43  0.38  1.0

Hf Hf Co Co Co Co
HfCo2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two HfCo2 clusters. Hf(1) is bonded in a single-bond geometry to one Co(2) atom. The Hf(1)-Co(2) bond length is 0.70 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted single-bond geometry to one Co(2) atom. The Co(1)-Co(2) bond length is 0.28 Å. In the second Co site, Co(2) is bonded in a bent 120 degrees geometry to one Hf(1) and one Co(1) atom.