data_[Hf4Pd6Pt8]
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/m]
_cell_length_a [9.0337]
_cell_length_b [4.0490]
_cell_length_c [8.4669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Pd3Pt4]
_chemical_formula_sum '[Hf4 Pd6 Pt8]'
_cell_volume [293.7198]
_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  0.1685  0.5000  0.2231  1
  Pd  Pd1  4  0.1636  0.5000  0.5512  1
  Pd  Pd2  2  0.0000  0.0000  0.0000  1
  Pt  Pt3  4  0.0005  0.0000  0.6657  1
  Pt  Pt4  4  0.1656  0.5000  0.8916  1
]