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 [Cmc2_1]
_cell_length_a [6.0401]
_cell_length_b [6.5148]
_cell_length_c [6.0556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [BH6N]
_chemical_formula_sum '[B4 H24 N4]'
_cell_volume [238.2893]
_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  0.0000  0.1526  0.7906  1.0
  H  H1  8  0.1374  0.3752  0.5517  1.0
  H  H2  8  0.1657  0.0440  0.7905  1.0
  H  H3  4  0.0000  0.1864  0.4333  1.0
  H  H4  4  0.0000  0.2670  0.9502  1.0
  N  N5  4  0.0000  0.2834  0.5684  1.0
]