data_Hf2FeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeSb
_chemical_formula_sum   'Hf2 Fe1 Sb1'
_cell_volume   76.35
_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  0.75  0.75  0.12  1.0
  Hf  Hf2  1  0.0  0.0  0.61  1.0
  Fe  Fe0  1  0.0  0.0  0.71  1.0
  Sb  Sb3  1  0.75  0.75  0.23  1.0

data_Hf2FeSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2FeSb
_chemical_formula_sum   'Hf4 Fe2 Sb2'
_cell_volume   152.7
_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  0.61  1.0
  Hf  Hf1  2  0.25  0.5  0.12  1.0
  Fe  Fe2  2  0.0  0.0  0.71  1.0
  Sb  Sb3  2  0.25  0.5  0.23  1.0

Hf Hf Fe Sb
HfFeHfSb is Modderite-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfFe clusters and two HfSb clusters. In each HfFe cluster, Hf(2) is bonded in a single-bond geometry to one Fe(1) atom. The Hf(2)-Fe(1) bond length is 0.59 Å. Fe(1) is bonded in a single-bond geometry to one Hf(2) atom. In each HfSb cluster, Hf(1) is bonded in a single-bond geometry to one Sb(1) atom. The Hf(1)-Sb(1) bond length is 0.71 Å. Sb(1) is bonded in a single-bond geometry to one Hf(1) atom.