data_[B8O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4579]
_cell_length_b [2.4138]
_cell_length_c [8.4490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [B2O3]
_chemical_formula_sum '[B8 O12]'
_cell_volume [232.3621]
_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  0.1291  0.5000  0.8212  1.0
  B  B1  4  0.1812  0.0000  0.3273  1.0
  O  O2  4  0.0719  0.0000  0.8415  1.0
  O  O3  4  0.1423  0.5000  0.3861  1.0
  O  O4  4  0.2424  0.5000  0.7854  1.0
]