data_[B4H24N4]
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 [P2_1]
_cell_length_a [6.6643]
_cell_length_b [4.9884]
_cell_length_c [6.7352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [BH6N]
_chemical_formula_sum '[B4 H24 N4]'
_cell_volume [220.7214]
_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  2  0.0338  0.9133  0.7921  1
  B  B1  2  0.4104  0.4082  0.7536  1
  H  H2  2  0.0410  0.4773  0.7678  1
  H  H3  2  0.0713  0.0170  0.6388  1
  H  H4  2  0.0832  0.5526  0.1340  1
  H  H5  2  0.1227  0.1113  0.4152  1
  H  H6  2  0.1815  0.0818  0.1846  1
  H  H7  2  0.1912  0.8805  0.9115  1
  H  H8  2  0.2985  0.3999  0.8793  1
  H  H9  2  0.3121  0.4690  0.5892  1
  H  H10  2  0.3859  0.9768  0.7447  1
  H  H11  2  0.3908  0.5736  0.1323  1
  H  H12  2  0.4324  0.5785  0.3823  1
  H  H13  2  0.4523  0.0667  0.1939  1
  N  N14  2  0.0662  0.1273  0.2636  1
  N  N15  2  0.4992  0.6155  0.2573  1
]