data_[Na24H96Pd40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [11.6011]
_cell_length_b [11.6011]
_cell_length_c [11.6011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Na3H12Pd5]
_chemical_formula_sum '[Na24 H96 Pd40]'
_cell_volume [1561.3242]
_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
[
  Na  Na0  24  0.0000  0.2500  0.1250  1
  H  H1  96  0.0306  0.0445  0.6391  1
  Pd  Pd2  24  0.0000  0.2500  0.3750  1
  Pd  Pd3  16  0.0000  0.0000  0.0000  1
]