data_HfZn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Fe
_chemical_formula_sum   'Hf1 Zn2 Fe1'
_cell_volume   62.63
_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  Hf1  1  0.79  0.0  0.0  1.0
  Zn  Zn2  1  0.39  0.04  0.43  1.0
  Zn  Zn3  1  0.39  0.96  0.43  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_HfZn2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   109.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Fe
_chemical_formula_sum   'Hf1 Zn2 Fe1'
_cell_volume   62.63
_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  0.79  0.0  1.0
  Zn  Zn1  1  0.43  0.39  0.04  1.0
  Zn  Zn2  1  0.43  0.39  0.96  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

Hf Zn Zn Fe
Hf Zn Zn Fe 0 3 + o o 1 2 o - o 
HfFe(Zn)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfFe cluster and one zinc molecule. In the HfFe cluster, Hf(1) is bonded in a distorted single-bond geometry to one Fe(1) atom. The Hf(1)-Fe(1) bond length is 1.03 Å. Fe(1) is bonded in a single-bond geometry to one Hf(1) atom.