data_[Hf4Fe2Sb2]
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/m]
_cell_length_a [5.7204]
_cell_length_b [3.7867]
_cell_length_c [7.6221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf2FeSb]
_chemical_formula_sum '[Hf4 Fe2 Sb2]'
_cell_volume [157.6235]
_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  2  0.2724  0.2500  0.4530  1.0
  Hf  Hf1  2  0.3477  0.7500  0.1082  1.0
  Fe  Fe2  2  0.3838  0.7500  0.7128  1.0
  Sb  Sb3  2  0.1073  0.2500  0.7903  1.0
]