data_[B48H48]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9884]
_cell_length_b [13.1662]
_cell_length_c [10.9903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BH]
_chemical_formula_sum '[B48 H48]'
_cell_volume [1002.8040]
_cell_formula_units_Z [48]
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  8  0.0377  0.1763  0.3916  1
  B  B1  8  0.0492  0.2890  0.1786  1
  B  B2  8  0.0588  0.0650  0.1825  1
  B  B3  8  0.1952  0.2475  0.3142  1
  B  B4  8  0.2038  0.1820  0.1735  1
  B  B5  8  0.2080  0.1133  0.3138  1
  H  H6  8  0.0636  0.1215  0.4834  1
  H  H7  8  0.0777  0.3647  0.1239  1
  H  H8  8  0.0938  0.0162  0.6428  1
  H  H9  8  0.1613  0.4389  0.6430  1
  H  H10  8  0.1620  0.3200  0.8831  1
  H  H11  8  0.1714  0.7953  0.1351  1
]