data_[Hf16Ir8Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.5084]
_cell_length_b [9.4025]
_cell_length_c [9.5430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Hf2IrPt]
_chemical_formula_sum '[Hf16 Ir8 Pt8]'
_cell_volume [583.9867]
_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  0.2365  0.0000  0.0000  1
  Hf  Hf1  8  0.2500  0.2500  0.2500  1
  Ir  Ir2  8  0.0000  0.2376  0.0000  1
  Pt  Pt3  8  0.0000  0.0000  0.2833  1
]