data_[Hf64Os32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [12.3138]
_cell_length_b [12.3138]
_cell_length_c [12.3138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Hf2Os]
_chemical_formula_sum '[Hf64 Os32]'
_cell_volume [1867.1557]
_cell_formula_units_Z [32]
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  48  0.0000  0.0000  0.3109  1
  Hf  Hf1  16  0.1250  0.1250  0.1250  1
  Os  Os2  32  0.0898  0.4102  0.5898  1
]