data_[Hf16Fe4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.0869]
_cell_length_b [12.1772]
_cell_length_c [5.4570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4FeSn]
_chemical_formula_sum '[Hf16 Fe4 Sn4]'
_cell_volume [501.3103]
_cell_formula_units_Z [4]
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  8  0.1105  0.1725  0.5647  1.0
  Hf  Hf1  8  0.2248  0.4207  0.8519  1.0
  Fe  Fe2  4  0.0000  0.0019  0.7500  1.0
  Sn  Sn3  4  0.0000  0.3777  0.2500  1.0
]