data_[B40H88N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4954]
_cell_length_b [10.5736]
_cell_length_c [10.1146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [B5H11N2]
_chemical_formula_sum '[B40 H88 N16]'
_cell_volume [1219.4242]
_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
[
  B  B0  8  0.0138  0.1920  0.1633  1
  B  B1  8  0.0572  0.3256  0.4160  1
  B  B2  8  0.1035  0.3246  0.1381  1
  B  B3  8  0.1206  0.2454  0.2914  1
  B  B4  8  0.1459  0.4068  0.3001  1
  H  H5  8  0.0202  0.0928  0.1067  1
  H  H6  8  0.0245  0.4148  0.1043  1
  H  H7  8  0.0554  0.1970  0.8822  1
  H  H8  8  0.0926  0.4954  0.7813  1
  H  H9  8  0.0938  0.3209  0.5324  1
  H  H10  8  0.0950  0.3034  0.7795  1
  H  H11  8  0.1616  0.1185  0.7030  1
  H  H12  8  0.1704  0.3177  0.0562  1
  H  H13  8  0.1976  0.0268  0.1576  1
  H  H14  8  0.1989  0.0910  0.5513  1
  H  H15  8  0.2102  0.1880  0.3237  1
  N  N16  8  0.0594  0.2146  0.7834  1
  N  N17  8  0.2199  0.0667  0.6497  1
]