data_Hf2FeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   131.43
_cell_angle_beta   131.43
_cell_angle_gamma   71.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeSb
_chemical_formula_sum   'Hf2 Fe1 Sb1'
_cell_volume   73.43
_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  0.1  0.0  0.08  1.0
  Hf  Hf2  1  0.0  0.1  0.08  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.16  1.0

data_Hf2FeSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   125.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2FeSb
_chemical_formula_sum   'Hf4 Fe2 Sb2'
_cell_volume   146.85
_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  4  0.47  0.45  0.02  1.0
  Fe  Fe1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.34  0.5  0.84  1.0

Hf Hf Fe Sb
Hf Hf Fe Sb 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
Hf2FeSb is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Hf2FeSb clusters. Hf(1) is bonded in a single-bond geometry to one Fe(1) and one Sb(1) atom. The Hf(1)-Fe(1) bond length is 0.39 Å. The Hf(1)-Sb(1) bond length is 0.84 Å. Fe(1) is bonded in a water-like geometry to two equivalent Hf(1) and one Sb(1) atom. The Fe(1)-Sb(1) bond length is 0.80 Å. Sb(1) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and one Fe(1) atom.