data_[B4H16O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.0960]
_cell_length_b [4.4829]
_cell_length_c [5.2132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [B2H8O]
_chemical_formula_sum '[B4 H16 O2]'
_cell_volume [197.2035]
_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  2  0.1229  0.0000  0.6446  1
  B  B1  2  0.4138  0.5000  0.3041  1
  H  H2  4  0.1300  0.2239  0.7825  1
  H  H3  4  0.4692  0.2695  0.4242  1
  H  H4  2  0.0208  0.0000  0.9662  1
  H  H5  2  0.2169  0.0000  0.5320  1
  H  H6  2  0.2755  0.5000  0.2699  1
  H  H7  2  0.3259  0.5000  0.8544  1
  O  O8  2  0.4257  0.5000  0.0153  1
]