data_[Hf24Fe8Pt4]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [8.5836]
_cell_length_b [8.6018]
_cell_length_c [9.1796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf6Fe2Pt]
_chemical_formula_sum '[Hf24 Fe8 Pt4]'
_cell_volume [677.7684]
_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  0.0000  0.1959  0.2451  1.0
  Hf  Hf1  8  0.1897  0.5000  0.1740  1.0
  Hf  Hf2  8  0.2222  0.6899  0.5000  1.0
  Fe  Fe3  4  0.0000  0.3374  0.0000  1.0
  Fe  Fe4  4  0.0000  0.5000  0.3844  1.0
  Pt  Pt5  2  0.0000  0.0000  0.0000  1.0
  Pt  Pt6  2  0.0000  0.0000  0.5000  1.0
]