data_[Hf8Pt8]
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 [P2_12_12_1]
_cell_length_a [5.3299]
_cell_length_b [5.3516]
_cell_length_c [10.7351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [HfPt]
_chemical_formula_sum '[Hf8 Pt8]'
_cell_volume [306.1995]
_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  4  0.1560  0.5639  0.0104  1.0
  Hf  Hf1  4  0.1673  0.0910  0.8002  1.0
  Pt  Pt2  4  0.1623  0.0601  0.0518  1.0
  Pt  Pt3  4  0.1806  0.4036  0.2621  1.0
]