data_[B4H16C12N12O8]
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
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.2856]
_cell_length_b [8.5368]
_cell_length_c [7.8612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BH4C3N3O2]
_chemical_formula_sum '[B4 H16 C12 N12 O8]'
_cell_volume [642.7379]
_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
[
  B  B0  4  0.2749  0.0516  0.1371  1
  H  H1  4  0.0787  0.6686  0.1665  1
  H  H2  4  0.1997  0.5701  0.1178  1
  H  H3  4  0.2198  0.5887  0.3502  1
  H  H4  4  0.3745  0.6484  0.6048  1
  C  C5  4  0.1389  0.1454  0.0192  1
  C  C6  4  0.2570  0.5046  0.8206  1
  C  C7  4  0.4027  0.1712  0.2038  1
  N  N8  4  0.0396  0.2121  0.9286  1
  N  N9  4  0.2493  0.5458  0.9572  1
  N  N10  4  0.4990  0.2464  0.7585  1
  O  O11  4  0.1505  0.5800  0.2100  1
  O  O12  4  0.2959  0.5769  0.5307  1
]