data_[Na96I24O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [15.4994]
_cell_length_b [15.4994]
_cell_length_c [15.4994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Na12I3O5]
_chemical_formula_sum '[Na96 I24 O40]'
_cell_volume [3723.4562]
_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  96  0.0394  0.1399  0.9598  1
  I  I1  24  0.0000  0.2500  0.1250  1
  O  O2  24  0.0000  0.2500  0.3750  1
  O  O3  16  0.0000  0.0000  0.0000  1
]