data_[Na16Si8O96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ibca]
_cell_length_a [7.4985]
_cell_length_b [13.3783]
_cell_length_c [17.2866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [73]
_chemical_formula_structural [Na2SiO12]
_chemical_formula_sum '[Na16 Si8 O96]'
_cell_volume [1734.1293]
_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  16  0.1071  0.0738  0.3717  1
  Si  Si1  8  0.2500  0.0819  0.0000  1
  O  O2  16  0.0658  0.0786  0.2173  1
  O  O3  16  0.0739  0.1599  0.5256  1
  O  O4  16  0.0771  0.1361  0.7234  1
  O  O5  16  0.0954  0.1811  0.7905  1
  O  O6  16  0.0967  0.1747  0.0388  1
  O  O7  16  0.1712  0.0309  0.9256  1
]