data_[Li4B4H40C24N16O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [7.9134]
_cell_length_b [6.8895]
_cell_length_c [16.7153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiBH10C6N4O]
_chemical_formula_sum '[Li4 B4 H40 C24 N16 O4]'
_cell_volume [824.4076]
_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
[
  Li  Li0  4  0.4191  0.1714  0.9960  1
  B  B1  4  0.4506  0.0846  0.8130  1
  H  H2  4  0.0016  0.0897  0.7784  1
  H  H3  4  0.0545  0.1850  0.5092  1
  H  H4  4  0.0851  0.0155  0.3937  1
  H  H5  4  0.1238  0.6508  0.3971  1
  H  H6  4  0.2046  0.7285  0.1655  1
  H  H7  4  0.2228  0.1517  0.1760  1
  H  H8  4  0.3949  0.5734  0.3243  1
  H  H9  4  0.3973  0.5035  0.0688  1
  H  H10  4  0.4747  0.0885  0.7461  1
  H  H11  4  0.4809  0.1523  0.6426  1
  C  C12  4  0.0837  0.7494  0.0164  1
  C  C13  4  0.0955  0.0204  0.2613  1
  C  C14  4  0.1386  0.0740  0.3487  1
  C  C15  4  0.1717  0.6659  0.4681  1
  C  C16  4  0.2066  0.1412  0.2370  1
  C  C17  4  0.2108  0.7276  0.6044  1
  N  N18  4  0.2661  0.2172  0.3759  1
  N  N19  4  0.3067  0.2429  0.8062  1
  N  N20  4  0.3406  0.5954  0.5226  1
  N  N21  4  0.3627  0.6333  0.6068  1
  O  O22  4  0.4153  0.1358  0.5784  1
]