data_[Na8B16O68]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5307]
_cell_length_b [9.6799]
_cell_length_c [12.9257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9358]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2B4O17]
_chemical_formula_sum '[Na8 B16 O68]'
_cell_volume [1683.8694]
_cell_formula_units_Z [4]
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  8  0.0963  0.4972  0.9511  1
  B  B1  8  0.0013  0.0026  0.8562  1
  B  B2  8  0.0061  0.1957  0.4975  1
  O  O3  8  0.0025  0.3323  0.0039  1
  O  O4  8  0.0106  0.1245  0.5927  1
  O  O5  8  0.0133  0.1236  0.4037  1
  O  O6  8  0.0190  0.4442  0.1975  1
  O  O7  8  0.2076  0.1024  0.1874  1
  O  O8  8  0.2338  0.0045  0.1350  1
  O  O9  8  0.2347  0.2054  0.9677  1
  O  O10  4  0.0000  0.0100  0.7500  1
  O  O11  4  0.0000  0.2814  0.7500  1
  O  O12  4  0.0000  0.3148  0.2500  1
]