data_[Hf24Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [10.8008]
_cell_length_b [10.8008]
_cell_length_c [5.6400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Hf3Pt]
_chemical_formula_sum '[Hf24 Pt8]'
_cell_volume [657.9538]
_cell_formula_units_Z [8]
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  0.3522  0.0000  1.0
  Hf  Hf1  8  0.0962  0.0962  0.7847  1.0
  Hf  Hf2  8  0.2068  0.7932  0.7551  1.0
  Pt  Pt3  8  0.0000  0.2915  0.5000  1.0
]