data_[B56C14]
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 [5.1164]
_cell_length_b [5.1164]
_cell_length_c [22.3645]
_cell_angle_alpha [92.8831]
_cell_angle_beta [94.8144]
_cell_angle_gamma [114.4033]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [B4C]
_chemical_formula_sum '[B56 C14]'
_cell_volume [528.9364]
_cell_formula_units_Z [14]
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  0.0003  0.4673  0.4012  1
  B  B1  1  0.0006  0.5949  0.4680  1
  B  B2  1  0.0018  0.2656  0.8011  1
  B  B3  1  0.0026  0.3957  0.5347  1
  B  B4  1  0.0038  0.5222  0.6021  1
  B  B5  1  0.0052  0.0513  0.1999  1
  B  B6  1  0.0066  0.1967  0.2660  1
  B  B7  1  0.0084  0.8535  0.6029  1
  B  B8  1  0.1952  0.2121  0.0379  1
  B  B9  1  0.1960  0.0025  0.9341  1
  B  B10  1  0.1999  0.9967  0.4405  1
  B  B11  1  0.2003  0.3910  0.1354  1
  B  B12  1  0.2003  0.7923  0.3368  1
  B  B13  1  0.2006  0.5894  0.7368  1
  B  B14  1  0.2006  0.7992  0.8399  1
  B  B15  1  0.2015  0.5985  0.2404  1
  B  B16  1  0.2035  0.1823  0.5379  1
  B  B17  1  0.2067  0.3847  0.6428  1
  B  B18  1  0.3146  0.3332  0.9574  1
  B  B19  1  0.3175  0.7210  0.1598  1
  B  B20  1  0.3182  0.9201  0.7596  1
  B  B21  1  0.3193  0.1227  0.3598  1
  B  B22  1  0.3244  0.5085  0.5624  1
  B  B23  1  0.3290  0.0094  0.9985  1
  B  B24  1  0.3315  0.5954  0.8011  1
  B  B25  1  0.3356  0.3955  0.2000  1
  B  B26  1  0.3386  0.1836  0.6028  1
  B  B27  1  0.6505  0.8048  0.4003  1
  B  B28  1  0.6616  0.0156  0.9972  1
  B  B29  1  0.6675  0.6055  0.7992  1
  B  B30  1  0.6704  0.4037  0.1990  1
  B  B31  1  0.6727  0.1912  0.6019  1
  B  B32  1  0.6748  0.6923  0.0379  1
  B  B33  1  0.6774  0.4801  0.4404  1
  B  B34  1  0.6816  0.2801  0.8399  1
  B  B35  1  0.6848  0.0760  0.2402  1
  B  B36  1  0.6876  0.8657  0.6427  1
  B  B37  1  0.7949  0.0173  0.0624  1
  B  B38  1  0.7955  0.8139  0.9574  1
  B  B39  1  0.7961  0.6053  0.3600  1
  B  B40  1  0.7962  0.8066  0.4648  1
  B  B41  1  0.8009  0.1985  0.1599  1
  B  B42  1  0.8015  0.4034  0.7596  1
  B  B43  1  0.8016  0.6086  0.8634  1
  B  B44  1  0.8023  0.4106  0.2634  1
  B  B45  1  0.8055  0.9890  0.5624  1
  B  B46  1  0.8061  0.1968  0.6659  1
  B  B47  1  0.9930  0.3471  0.9974  1
  B  B48  1  0.9941  0.0044  0.3342  1
  B  B49  1  0.9949  0.1355  0.4002  1
  B  B50  1  0.9950  0.2181  0.9292  1
  B  B51  1  0.9960  0.6765  0.9986  1
  B  B52  1  0.9973  0.9353  0.7992  1
  B  B53  1  0.9982  0.8073  0.0657  1
  B  B54  1  0.9982  0.6044  0.1322  1
  B  B55  1  0.9995  0.8067  0.7314  1
  C  C56  1  0.0001  0.4078  0.8642  1
  C  C57  1  0.0018  0.7239  0.1992  1
  C  C58  1  0.0066  0.9953  0.6662  1
  C  C59  1  0.3210  0.7993  0.4009  1
  C  C60  1  0.3693  0.4149  0.0723  1
  C  C61  1  0.3738  0.0018  0.8749  1
  C  C62  1  0.3748  0.1973  0.4757  1
  C  C63  1  0.3803  0.7955  0.2763  1
  C  C64  1  0.3838  0.5819  0.6783  1
  C  C65  1  0.6240  0.6046  0.9240  1
  C  C66  1  0.6240  0.4090  0.3239  1
  C  C67  1  0.6250  0.0006  0.1246  1
  C  C68  1  0.6264  0.1964  0.7259  1
  C  C69  1  0.6309  0.7864  0.5279  1
]