data_[B4H20C4N2Cl2O6]
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
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5638]
_cell_length_b [8.6423]
_cell_length_c [9.3781]
_cell_angle_alpha [116.9846]
_cell_angle_beta [95.8298]
_cell_angle_gamma [93.9347]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [B2H10C2NClO3]
_chemical_formula_sum '[B4 H20 C4 N2 Cl2 O6]'
_cell_volume [396.4030]
_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  0.1088  0.3379  0.4071  1
  B  B1  2  0.1744  0.5348  0.4041  1
  H  H2  2  0.0084  0.7240  0.0255  1
  H  H3  2  0.0426  0.7356  0.2229  1
  H  H4  2  0.0761  0.9980  0.7769  1
  H  H5  2  0.2095  0.0819  0.5781  1
  H  H6  2  0.2270  0.3814  0.9185  1
  H  H7  2  0.3177  0.1946  0.2475  1
  H  H8  2  0.3324  0.1147  0.9085  1
  H  H9  2  0.4121  0.9570  0.6312  1
  H  H10  2  0.4254  0.4691  0.2580  1
  H  H11  2  0.4831  0.1915  0.7155  1
  C  C12  2  0.0867  0.2683  0.8751  1
  C  C13  2  0.3380  0.0819  0.6747  1
  N  N14  2  0.2069  0.1060  0.8127  1
  Cl  Cl15  2  0.4106  0.7529  0.8692  1
  O  O16  2  0.0501  0.6748  0.4926  1
  O  O17  2  0.1941  0.1827  0.3132  1
  O  O18  2  0.3363  0.5696  0.3193  1
]