data_[B8C12]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7451]
_cell_length_b [2.5135]
_cell_length_c [6.5699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [B2C3]
_chemical_formula_sum '[B8 C12]'
_cell_volume [130.6880]
_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  2  0.0949  0.5000  0.4411  1
  B  B1  2  0.1087  0.5000  0.1464  1
  B  B2  2  0.4036  0.0000  0.5978  1
  B  B3  2  0.4798  0.5000  0.9726  1
  C  C4  2  0.0118  0.0000  0.7540  1
  C  C5  2  0.1994  0.0000  0.8073  1
  C  C6  2  0.2084  0.0000  0.5719  1
  C  C7  2  0.2899  0.5000  0.9441  1
  C  C8  2  0.3060  0.5000  0.1973  1
  C  C9  2  0.3974  0.0000  0.3173  1
]