data_[B24H24N4O24]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9898]
_cell_length_b [11.1639]
_cell_length_c [11.5488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [B6H6NO6]
_chemical_formula_sum '[B24 H24 N4 O24]'
_cell_volume [730.2840]
_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  0.2256  0.0640  0.4265  1
  B  B1  4  0.2789  0.5966  0.9712  1
  B  B2  4  0.2824  0.5451  0.8283  1
  B  B3  4  0.4049  0.0172  0.6094  1
  B  B4  4  0.4167  0.1042  0.3659  1
  B  B5  4  0.4814  0.1500  0.5386  1
  H  H6  4  0.0002  0.6360  0.6744  1
  H  H7  4  0.0818  0.6833  0.0214  1
  H  H8  4  0.1325  0.5699  0.1852  1
  H  H9  4  0.1632  0.2093  0.2091  1
  H  H10  4  0.2288  0.1038  0.6734  1
  H  H11  4  0.4004  0.2125  0.1206  1
  N  N12  4  0.2705  0.5534  0.4892  1
  O  O13  4  0.0073  0.1235  0.3569  1
  O  O14  4  0.0907  0.6745  0.9398  1
  O  O15  4  0.1172  0.5783  0.6885  1
  O  O16  4  0.3282  0.1863  0.2524  1
  O  O17  4  0.3306  0.0334  0.6987  1
  O  O18  4  0.4835  0.2331  0.0773  1
]