data_[B2H16C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.9707]
_cell_length_b [5.5823]
_cell_length_c [8.3869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [B(H4C)2]
_chemical_formula_sum '[B2 H16 C4]'
_cell_volume [227.5554]
_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  0.0000  0.0000  0.0000  1
  H  H1  8  0.1382  0.1604  0.6945  1
  H  H2  4  0.0533  0.5000  0.2214  1
  H  H3  4  0.1885  0.5000  0.4382  1
  C  C4  4  0.2409  0.5000  0.3175  1
]