data_Hf2FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   37.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeCo
_chemical_formula_sum   'Hf2 Fe1 Co1'
_cell_volume   63.04
_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  0.17  1.0
  Hf  Hf3  1  0.08  0.0  0.95  1.0
  Fe  Fe1  1  0.0  0.0  0.76  1.0
  Co  Co0  1  0.08  0.0  0.34  1.0

data_Hf2FeCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.15
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   108.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeCo
_chemical_formula_sum   'Hf2 Fe1 Co1'
_cell_volume   63.04
_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  0.05  0.08  0.05  1.0
  Hf  Hf1  1  0.83  0.0  0.83  1.0
  Fe  Fe2  1  0.24  0.0  0.24  1.0
  Co  Co3  1  0.66  0.08  0.66  1.0

Hf Hf Fe Co
HfFeHfCo crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfCo cluster and one HfFe cluster. In the HfCo cluster, Hf(1) is bonded in a distorted single-bond geometry to one Co(1) atom. The Hf(1)-Co(1) bond length is 0.93 Å. Co(1) is bonded in a single-bond geometry to one Hf(1) atom. In the HfFe cluster, Hf(2) is bonded in a distorted single-bond geometry to one Fe(1) atom. The Hf(2)-Fe(1) bond length is 1.00 Å. Fe(1) is bonded in a single-bond geometry to one Hf(2) atom.