data_[B8C4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7042]
_cell_length_b [2.4780]
_cell_length_c [5.3567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [B2CO2]
_chemical_formula_sum '[B8 C4 O8]'
_cell_volume [128.7994]
_cell_formula_units_Z [4]
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  4  0.1108  0.0000  0.2573  1
  B  B1  4  0.1296  0.5000  0.7027  1
  C  C2  4  0.2497  0.0000  0.0857  1
  O  O3  4  0.0260  0.5000  0.2244  1
  O  O4  4  0.1388  0.0000  0.5467  1
]