data_[B18H30C4]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1138]
_cell_length_b [7.6719]
_cell_length_c [9.3843]
_cell_angle_alpha [74.4137]
_cell_angle_beta [74.8712]
_cell_angle_gamma [68.6776]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [B9H15C2]
_chemical_formula_sum '[B18 H30 C4]'
_cell_volume [451.8850]
_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  0.2101  0.7192  0.4377  1
  B  B1  2  0.2748  0.8647  0.2585  1
  B  B2  2  0.2832  0.6238  0.2693  1
  B  B3  2  0.3323  0.4712  0.4428  1
  B  B4  2  0.3625  0.8587  0.4224  1
  B  B5  2  0.4089  0.5995  0.5404  1
  B  B6  2  0.4757  0.5552  0.7231  1
  B  B7  2  0.4809  0.1274  0.7577  1
  B  B8  2  0.4918  0.6993  0.1617  1
  H  H9  2  0.0247  0.3204  0.7760  1
  H  H10  2  0.0402  0.7694  0.5079  1
  H  H11  2  0.0538  0.9692  0.7612  1
  H  H12  2  0.1069  0.1761  0.1895  1
  H  H13  2  0.1161  0.0374  0.0633  1
  H  H14  2  0.1388  0.4448  0.2062  1
  H  H15  2  0.1675  0.6428  0.0618  1
  H  H16  2  0.2306  0.3679  0.4983  1
  H  H17  2  0.3083  0.5627  0.6839  1
  H  H18  2  0.3121  0.9839  0.4904  1
  H  H19  2  0.3481  0.2900  0.7977  1
  H  H20  2  0.4090  0.0035  0.8228  1
  H  H21  2  0.4271  0.6844  0.7868  1
  H  H22  2  0.4357  0.1803  0.6211  1
  H  H23  2  0.4664  0.2844  0.9717  1
  C  C24  2  0.1008  0.0372  0.1829  1
  C  C25  2  0.1338  0.5943  0.1843  1
]