data_[B16C8]
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 [Cc]
_cell_length_a [5.3327]
_cell_length_b [8.2508]
_cell_length_c [4.3789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [B2C]
_chemical_formula_sum '[B16 C8]'
_cell_volume [180.5077]
_cell_formula_units_Z [8]
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  0.2064  0.2680  0.4434  1
  B  B1  4  0.2927  0.4114  0.9327  1
  B  B2  4  0.3425  0.1062  0.1038  1
  B  B3  4  0.4008  0.0908  0.5406  1
  C  C4  4  0.2558  0.4214  0.2590  1
  C  C5  4  0.3768  0.2346  0.8455  1
]