data_[B6C4]
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 [P1]
_cell_length_a [3.5780]
_cell_length_b [4.5048]
_cell_length_c [4.7564]
_cell_angle_alpha [82.1567]
_cell_angle_beta [71.1623]
_cell_angle_gamma [69.9472]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [B3C2]
_chemical_formula_sum '[B6 C4]'
_cell_volume [68.1313]
_cell_formula_units_Z [2]
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  0.0950  0.9224  0.3064  1
  B  B1  1  0.3965  0.4383  0.8080  1
  B  B2  1  0.5890  0.2527  0.1781  1
  B  B3  1  0.5945  0.6223  0.1153  1
  B  B4  1  0.7364  0.7929  0.6367  1
  B  B5  1  0.7973  0.4757  0.4379  1
  C  C6  1  0.0406  0.9855  0.9780  1
  C  C7  1  0.2070  0.1839  0.4298  1
  C  C8  1  0.3353  0.1112  0.7195  1
  C  C9  1  0.9585  0.7151  0.8902  1
]