data_[Hf16Fe2Pt4]
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 [C2/m]
_cell_length_a [15.5657]
_cell_length_b [4.6928]
_cell_length_c [6.1831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8FePt2]
_chemical_formula_sum '[Hf16 Fe2 Pt4]'
_cell_volume [446.5372]
_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  0.0258  0.0000  0.7532  1.0
  Hf  Hf1  4  0.0877  0.5000  0.4376  1.0
  Hf  Hf2  4  0.1578  0.5000  0.9563  1.0
  Hf  Hf3  4  0.1916  0.0000  0.3085  1.0
  Fe  Fe4  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt5  4  0.2027  0.0000  0.7371  1.0
]