data_[Hf2Pd4Pt12]
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 [6.2577]
_cell_length_b [12.5928]
_cell_length_c [3.9660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf(PdPt3)2]
_chemical_formula_sum '[Hf2 Pd4 Pt12]'
_cell_volume [296.7375]
_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  2  0.0000  0.0000  0.0000  1
  Pd  Pd1  4  0.0000  0.1591  0.5000  1
  Pt  Pt2  8  0.1638  0.3431  0.8384  1
  Pt  Pt3  4  0.1741  0.5000  0.3399  1
]