data_[Hf20Pd4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0015]
_cell_length_b [5.4175]
_cell_length_c [9.3222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf5PdPt]
_chemical_formula_sum '[Hf20 Pd4 Pt4]'
_cell_volume [599.8839]
_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  0.1341  0.4119  0.5122  1
  Hf  Hf1  8  0.2082  0.0990  0.1978  1
  Hf  Hf2  4  0.0000  0.2329  0.7500  1
  Pd  Pd3  4  0.0000  0.2891  0.2500  1
  Pt  Pt4  4  0.0000  0.0000  0.0000  1
]