data_[B2H12C4N10F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9354]
_cell_length_b [7.2220]
_cell_length_c [8.7226]
_cell_angle_alpha [75.0405]
_cell_angle_beta [82.2623]
_cell_angle_gamma [82.3126]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BH6C2N5F4]
_chemical_formula_sum '[B2 H12 C4 N10 F8]'
_cell_volume [296.0368]
_cell_formula_units_Z [2]
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  2  0.1123  0.1294  0.6949  1
  H  H1  2  0.0512  0.7035  0.9342  1
  H  H2  2  0.1966  0.5748  0.5633  1
  H  H3  2  0.2647  0.8520  0.9870  1
  H  H4  2  0.2964  0.1520  0.3204  1
  H  H5  2  0.3038  0.8051  0.5190  1
  H  H6  2  0.4155  0.3156  0.7947  1
  C  C7  2  0.2835  0.5692  0.1118  1
  C  C8  2  0.4978  0.6066  0.6869  1
  N  N9  2  0.1870  0.3990  0.1480  1
  N  N10  2  0.2114  0.7192  0.9940  1
  N  N11  2  0.3244  0.2933  0.2755  1
  N  N12  2  0.3388  0.6618  0.5684  1
  N  N13  2  0.4784  0.5699  0.2104  1
  F  F14  2  0.0627  0.3294  0.6283  1
  F  F15  2  0.1375  0.9521  0.2551  1
  F  F16  2  0.2657  0.0432  0.5787  1
  F  F17  2  0.2688  0.1014  0.8262  1
]