data_[B10H18]
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 [I4mm]
_cell_length_a [7.3003]
_cell_length_b [7.3003]
_cell_length_c [5.3331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [B5H9]
_chemical_formula_sum '[B10 H18]'
_cell_volume [284.2258]
_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  8  0.0000  0.1731  0.0178  1.0
  B  B1  2  0.0000  0.0000  0.2299  1.0
  H  H2  8  0.0000  0.3345  0.0454  1.0
  H  H3  8  0.1335  0.1335  0.8505  1.0
  H  H4  2  0.0000  0.0000  0.4526  1.0
]