data_[B8C4]
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 [Pmm2]
_cell_length_a [2.2868]
_cell_length_b [2.5868]
_cell_length_c [13.9428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [B2C]
_chemical_formula_sum '[B8 C4]'
_cell_volume [82.4775]
_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  1  0.0000  0.0000  0.3467  1
  B  B1  1  0.0000  0.0000  0.6913  1
  B  B2  1  0.0000  0.5000  0.0562  1
  B  B3  1  0.5000  0.0000  0.2460  1
  B  B4  1  0.5000  0.0000  0.5900  1
  B  B5  1  0.5000  0.5000  0.1552  1
  B  B6  1  0.5000  0.5000  0.4989  1
  B  B7  1  0.5000  0.5000  0.8446  1
  C  C8  1  0.0000  0.0000  0.9818  1
  C  C9  1  0.0000  0.5000  0.4128  1
  C  C10  1  0.0000  0.5000  0.7575  1
  C  C11  1  0.5000  0.0000  0.9190  1
]