data_[Na8B40H80O104]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1296]
_cell_length_b [16.4225]
_cell_length_c [13.5640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaB5H10O13]
_chemical_formula_sum '[Na8 B40 H80 O104]'
_cell_volume [2297.2658]
_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  4  0.0000  0.1554  0.7500  1
  Na  Na1  4  0.0000  0.3761  0.2500  1
  B  B2  8  0.1145  0.0056  0.1635  1
  B  B3  8  0.1362  0.4301  0.4808  1
  B  B4  8  0.1775  0.1573  0.4508  1
  B  B5  8  0.2467  0.4161  0.6780  1
  B  B6  8  0.2484  0.1139  0.1403  1
  H  H7  8  0.0191  0.0603  0.9533  1
  H  H8  8  0.0208  0.2299  0.4071  1
  H  H9  8  0.0238  0.4980  0.0961  1
  H  H10  8  0.0433  0.2422  0.5808  1
  H  H11  8  0.0802  0.3040  0.6777  1
  H  H12  8  0.1286  0.3129  0.9002  1
  H  H13  8  0.1359  0.2290  0.2506  1
  H  H14  8  0.1706  0.2972  0.1777  1
  H  H15  8  0.2246  0.0854  0.8387  1
  H  H16  8  0.2475  0.1463  0.9352  1
  O  O17  8  0.0139  0.2636  0.6363  1
  O  O18  8  0.0286  0.0571  0.6241  1
  O  O19  8  0.0418  0.4617  0.3918  1
  O  O20  8  0.0914  0.2072  0.4722  1
  O  O21  8  0.0992  0.2708  0.1947  1
  O  O22  8  0.1384  0.4440  0.5812  1
  O  O23  8  0.1418  0.0609  0.0958  1
  O  O24  8  0.1726  0.1451  0.3492  1
  O  O25  8  0.1761  0.0116  0.2713  1
  O  O26  8  0.1934  0.3772  0.7516  1
  O  O27  8  0.2110  0.3457  0.9297  1
  O  O28  8  0.2285  0.3817  0.4631  1
  O  O29  8  0.2285  0.1439  0.8574  1
]