data_[Hf8Fe2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3750]
_cell_length_b [6.7122]
_cell_length_c [5.6579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf4FeSb]
_chemical_formula_sum '[Hf8 Fe2 Sb2]'
_cell_volume [268.3914]
_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  Hf0  4  0.2560  0.1742  0.7260  1
  Hf  Hf1  4  0.3564  0.6507  0.8621  1
  Fe  Fe2  2  0.5000  0.0000  0.0000  1
  Sb  Sb3  2  0.0000  0.0000  0.0000  1
]