# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.58540602
_cell_length_b   12.82110485
_cell_length_c   46.26222248
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.05803178
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C396
_cell_volume   11616.1011374
_cell_formula_units_Z   396
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
  C  C1  1  0.317721  0.397624  0.307633  1
  C  C2  1  0.817721  0.397624  0.307633  1
  C  C3  1  0.033358  0.465886  0.284389  1
  C  C4  1  0.151055  0.064290  0.307633  1
  C  C5  1  0.173927  0.439396  0.298415  1
  C  C6  1  0.366691  0.132553  0.284389  1
  C  C7  1  0.533358  0.465886  0.284389  1
  C  C8  1  0.651055  0.064290  0.307633  1
  C  C9  1  0.673927  0.439395  0.298415  1
  C  C10  1  0.866691  0.132553  0.284389  1
  C  C11  1  0.984388  0.730957  0.307633  1
  C  C12  1  0.007261  0.106062  0.298415  1
  C  C13  1  0.200025  0.799219  0.284389  1
  C  C14  1  0.340594  0.772729  0.298415  1
  C  C15  1  0.484388  0.730957  0.307633  1
  C  C16  1  0.507261  0.106062  0.298415  1
  C  C17  1  0.700025  0.799219  0.284389  1
  C  C18  1  0.840594  0.772729  0.298415  1
  C  C19  1  0.330496  0.403554  0.272224  1
  C  C20  1  0.830496  0.403554  0.272224  1
  C  C21  1  0.965430  0.455495  0.293619  1
  C  C22  1  0.163829  0.070221  0.272224  1
  C  C23  1  0.100192  0.432732  0.305051  1
  C  C24  1  0.298763  0.122161  0.293619  1
  C  C25  1  0.465430  0.455495  0.293619  1
  C  C26  1  0.663829  0.070221  0.272224  1
  C  C27  1  0.600192  0.432732  0.305051  1
  C  C28  1  0.798763  0.122161  0.293619  1
  C  C29  1  0.997163  0.736888  0.272224  1
  C  C30  1  0.933525  0.099399  0.305051  1
  C  C31  1  0.132097  0.788828  0.293619  1
  C  C32  1  0.266858  0.766066  0.305051  1
  C  C33  1  0.497163  0.736888  0.272224  1
  C  C34  1  0.433525  0.099399  0.305051  1
  C  C35  1  0.632097  0.788828  0.293619  1
  C  C36  1  0.766858  0.766066  0.305051  1
  C  C37  1  0.227982  0.360114  0.351599  1
  C  C38  1  0.727982  0.360114  0.351599  1
  C  C39  1  0.950458  0.404505  0.323552  1
  C  C40  1  0.061315  0.026781  0.351599  1
  C  C41  1  0.088751  0.383418  0.338165  1
  C  C42  1  0.283791  0.071172  0.323552  1
  C  C43  1  0.450458  0.404505  0.323552  1
  C  C44  1  0.561315  0.026781  0.351599  1
  C  C45  1  0.588751  0.383418  0.338165  1
  C  C46  1  0.783791  0.071172  0.323552  1
  C  C47  1  0.894648  0.693448  0.351599  1
  C  C48  1  0.922085  0.050085  0.338165  1
  C  C49  1  0.117125  0.737839  0.323552  1
  C  C50  1  0.255418  0.716752  0.338165  1
  C  C51  1  0.394648  0.693448  0.351599  1
  C  C52  1  0.422085  0.050085  0.338165  1
  C  C53  1  0.617125  0.737839  0.323552  1
  C  C54  1  0.755418  0.716752  0.338165  1
  C  C55  1  0.239054  0.403068  0.318074  1
  C  C56  1  0.739054  0.403068  0.318074  1
  C  C57  1  0.877288  0.381111  0.331602  1
  C  C58  1  0.072387  0.069734  0.318074  1
  C  C59  1  0.015337  0.370636  0.346875  1
  C  C60  1  0.210621  0.047778  0.331602  1
  C  C61  1  0.377288  0.381111  0.331602  1
  C  C62  1  0.572387  0.069734  0.318074  1
  C  C63  1  0.515337  0.370636  0.346875  1
  C  C64  1  0.710621  0.047778  0.331602  1
  C  C65  1  0.905721  0.736401  0.318074  1
  C  C66  1  0.848671  0.037303  0.346875  1
  C  C67  1  0.043955  0.714445  0.331602  1
  C  C68  1  0.182004  0.703970  0.346875  1
  C  C69  1  0.405721  0.736401  0.318074  1
  C  C70  1  0.348671  0.037303  0.346875  1
  C  C71  1  0.543955  0.714445  0.331602  1
  C  C72  1  0.682004  0.703969  0.346875  1
  C  C73  1  0.142409  0.304293  0.393135  1
  C  C74  1  0.642409  0.304293  0.393135  1
  C  C75  1  0.866665  0.340059  0.364528  1
  C  C76  1  0.975742  0.970960  0.393135  1
  C  C77  1  0.004084  0.323958  0.379032  1
  C  C78  1  0.199998  0.006726  0.364528  1
  C  C79  1  0.366665  0.340059  0.364528  1
  C  C80  1  0.475742  0.970960  0.393135  1
  C  C81  1  0.504084  0.323958  0.379032  1
  C  C82  1  0.699998  0.006726  0.364528  1
  C  C83  1  0.809075  0.637627  0.393135  1
  C  C84  1  0.837417  0.990625  0.379032  1
  C  C85  1  0.033331  0.673392  0.364528  1
  C  C86  1  0.170751  0.657292  0.379032  1
  C  C87  1  0.309075  0.637626  0.393135  1
  C  C88  1  0.337417  0.990625  0.379032  1
  C  C89  1  0.533331  0.673393  0.364528  1
  C  C90  1  0.670751  0.657291  0.379032  1
  C  C91  1  0.153226  0.349922  0.360543  1
  C  C92  1  0.653226  0.349922  0.360543  1
  C  C93  1  0.791894  0.328868  0.374104  1
  C  C94  1  0.986559  0.016589  0.360543  1
  C  C95  1  0.929791  0.309962  0.387846  1
  C  C96  1  0.125227  0.995535  0.374104  1
  C  C97  1  0.291894  0.328868  0.374104  1
  C  C98  1  0.486560  0.016589  0.360543  1
  C  C99  1  0.429791  0.309962  0.387846  1
  C  C100  1  0.625227  0.995535  0.374104  1
  C  C101  1  0.819893  0.683256  0.360543  1
  C  C102  1  0.763125  0.976629  0.387846  1
  C  C103  1  0.958560  0.662201  0.374104  1
  C  C104  1  0.096458  0.643295  0.387846  1
  C  C105  1  0.319893  0.683256  0.360543  1
  C  C106  1  0.263125  0.976629  0.387846  1
  C  C107  1  0.458560  0.662201  0.374104  1
  C  C108  1  0.596458  0.643295  0.387846  1
  C  C109  1  0.057282  0.246605  0.434504  1
  C  C110  1  0.557282  0.246605  0.434504  1
  C  C111  1  0.780958  0.284658  0.406734  1
  C  C112  1  0.890615  0.913272  0.434504  1
  C  C113  1  0.919182  0.265559  0.420373  1
  C  C114  1  0.114291  0.951325  0.406734  1
  C  C115  1  0.280958  0.284658  0.406734  1
  C  C116  1  0.390616  0.913272  0.434504  1
  C  C117  1  0.419182  0.265559  0.420373  1
  C  C118  1  0.614291  0.951325  0.406734  1
  C  C119  1  0.723949  0.579939  0.434504  1
  C  C120  1  0.752515  0.932226  0.420373  1
  C  C121  1  0.947624  0.617991  0.406734  1
  C  C122  1  0.085848  0.598892  0.420373  1
  C  C123  1  0.223949  0.579939  0.434504  1
  C  C124  1  0.252515  0.932226  0.420373  1
  C  C125  1  0.447625  0.617991  0.406734  1
  C  C126  1  0.585848  0.598892  0.420373  1
  C  C127  1  0.068048  0.291753  0.402086  1
  C  C128  1  0.568048  0.291753  0.402086  1
  C  C129  1  0.706537  0.272362  0.415965  1
  C  C130  1  0.901382  0.958419  0.402086  1
  C  C131  1  0.844831  0.252973  0.429706  1
  C  C132  1  0.039870  0.939029  0.415965  1
  C  C133  1  0.206537  0.272362  0.415965  1
  C  C134  1  0.401381  0.958420  0.402086  1
  C  C135  1  0.344830  0.252973  0.429706  1
  C  C136  1  0.539870  0.939029  0.415965  1
  C  C137  1  0.734715  0.625086  0.402086  1
  C  C138  1  0.678164  0.919639  0.429706  1
  C  C139  1  0.873204  0.605695  0.415965  1
  C  C140  1  0.011497  0.586306  0.429706  1
  C  C141  1  0.234715  0.625086  0.402086  1
  C  C142  1  0.178164  0.919639  0.429706  1
  C  C143  1  0.373204  0.605695  0.415965  1
  C  C144  1  0.511497  0.586306  0.429706  1
  C  C145  1  0.972191  0.189136  0.475992  1
  C  C146  1  0.472191  0.189136  0.475992  1
  C  C147  1  0.695672  0.227457  0.448418  1
  C  C148  1  0.805525  0.855803  0.475992  1
  C  C149  1  0.833996  0.208315  0.462169  1
  C  C150  1  0.029005  0.894124  0.448418  1
  C  C151  1  0.195672  0.227457  0.448418  1
  C  C152  1  0.305525  0.855803  0.475992  1
  C  C153  1  0.333996  0.208315  0.462169  1
  C  C154  1  0.529005  0.894124  0.448418  1
  C  C155  1  0.638858  0.522470  0.475992  1
  C  C156  1  0.667329  0.874982  0.462169  1
  C  C157  1  0.862339  0.560790  0.448418  1
  C  C158  1  0.000662  0.541648  0.462169  1
  C  C159  1  0.138858  0.522470  0.475992  1
  C  C160  1  0.167329  0.874982  0.462169  1
  C  C161  1  0.362339  0.560790  0.448418  1
  C  C162  1  0.500662  0.541648  0.462169  1
  C  C163  1  0.982830  0.233860  0.443533  1
  C  C164  1  0.482830  0.233860  0.443533  1
  C  C165  1  0.621251  0.214804  0.457522  1
  C  C166  1  0.816163  0.900526  0.443533  1
  C  C167  1  0.759641  0.195648  0.471419  1
  C  C168  1  0.954585  0.881471  0.457522  1
  C  C169  1  0.121251  0.214804  0.457522  1
  C  C170  1  0.316163  0.900526  0.443533  1
  C  C171  1  0.259641  0.195648  0.471419  1
  C  C172  1  0.454585  0.881470  0.457522  1
  C  C173  1  0.649497  0.567193  0.443533  1
  C  C174  1  0.592974  0.862314  0.471419  1
  C  C175  1  0.787918  0.548137  0.457522  1
  C  C176  1  0.926307  0.528981  0.471419  1
  C  C177  1  0.149497  0.567193  0.443533  1
  C  C178  1  0.092974  0.862314  0.471419  1
  C  C179  1  0.287918  0.548137  0.457522  1
  C  C180  1  0.426307  0.528981  0.471419  1
  C  C181  1  0.887076  0.131731  0.517683  1
  C  C182  1  0.387076  0.131731  0.517683  1
  C  C183  1  0.610474  0.169977  0.489948  1
  C  C184  1  0.720409  0.798398  0.517683  1
  C  C185  1  0.748867  0.150873  0.503853  1
  C  C186  1  0.943807  0.836644  0.489948  1
  C  C187  1  0.110474  0.169977  0.489948  1
  C  C188  1  0.220409  0.798398  0.517683  1
  C  C189  1  0.248867  0.150873  0.503853  1
  C  C190  1  0.443807  0.836644  0.489948  1
  C  C191  1  0.553743  0.465065  0.517683  1
  C  C192  1  0.582200  0.817540  0.503853  1
  C  C193  1  0.777141  0.503310  0.489948  1
  C  C194  1  0.915534  0.484206  0.503853  1
  C  C195  1  0.053743  0.465065  0.517683  1
  C  C196  1  0.082200  0.817540  0.503853  1
  C  C197  1  0.277141  0.503310  0.489948  1
  C  C198  1  0.415534  0.484206  0.503853  1
  C  C199  1  0.897834  0.176457  0.485240  1
  C  C200  1  0.397834  0.176457  0.485240  1
  C  C201  1  0.536043  0.157315  0.499070  1
  C  C202  1  0.731167  0.843123  0.485240  1
  C  C203  1  0.674436  0.138211  0.512975  1
  C  C204  1  0.869376  0.823981  0.499070  1
  C  C205  1  0.036043  0.157315  0.499070  1
  C  C206  1  0.231167  0.843123  0.485240  1
  C  C207  1  0.174436  0.138211  0.512975  1
  C  C208  1  0.369376  0.823982  0.499070  1
  C  C209  1  0.564500  0.509790  0.485240  1
  C  C210  1  0.507769  0.804878  0.512975  1
  C  C211  1  0.702710  0.490648  0.499070  1
  C  C212  1  0.841102  0.471544  0.512975  1
  C  C213  1  0.064500  0.509790  0.485240  1
  C  C214  1  0.007769  0.804877  0.512975  1
  C  C215  1  0.202709  0.490648  0.499070  1
  C  C216  1  0.341102  0.471544  0.512975  1
  C  C217  1  0.802080  0.074328  0.559390  1
  C  C218  1  0.302080  0.074328  0.559390  1
  C  C219  1  0.525269  0.112540  0.531504  1
  C  C220  1  0.635413  0.740995  0.559390  1
  C  C221  1  0.663658  0.093384  0.545401  1
  C  C222  1  0.858602  0.779207  0.531504  1
  C  C223  1  0.025269  0.112540  0.531504  1
  C  C224  1  0.135413  0.740995  0.559390  1
  C  C225  1  0.163658  0.093384  0.545401  1
  C  C226  1  0.358602  0.779207  0.531504  1
  C  C227  1  0.468746  0.407661  0.559390  1
  C  C228  1  0.496992  0.760051  0.545401  1
  C  C229  1  0.691936  0.445873  0.531504  1
  C  C230  1  0.830325  0.426717  0.545401  1
  C  C231  1  0.968746  0.407662  0.559390  1
  C  C232  1  0.996992  0.760051  0.545401  1
  C  C233  1  0.191936  0.445873  0.531504  1
  C  C234  1  0.330325  0.426717  0.545401  1
  C  C235  1  0.812718  0.119051  0.526931  1
  C  C236  1  0.312718  0.119051  0.526931  1
  C  C237  1  0.450914  0.099873  0.540754  1
  C  C238  1  0.646052  0.785718  0.526931  1
  C  C239  1  0.589238  0.080731  0.554505  1
  C  C240  1  0.784247  0.766539  0.540754  1
  C  C241  1  0.950914  0.099873  0.540754  1
  C  C242  1  0.146052  0.785718  0.526931  1
  C  C243  1  0.089238  0.080731  0.554505  1
  C  C244  1  0.284247  0.766539  0.540754  1
  C  C245  1  0.479385  0.452385  0.526931  1
  C  C246  1  0.422571  0.747397  0.554505  1
  C  C247  1  0.617581  0.433206  0.540754  1
  C  C248  1  0.755905  0.414064  0.554505  1
  C  C249  1  0.979385  0.452385  0.526931  1
  C  C250  1  0.922571  0.747397  0.554505  1
  C  C251  1  0.117581  0.433206  0.540754  1
  C  C252  1  0.255905  0.414064  0.554505  1
  C  C253  1  0.716862  0.016435  0.600837  1
  C  C254  1  0.216862  0.016435  0.600837  1
  C  C255  1  0.440079  0.055215  0.573217  1
  C  C256  1  0.550195  0.683102  0.600837  1
  C  C257  1  0.578373  0.035826  0.586958  1
  C  C258  1  0.773413  0.721882  0.573217  1
  C  C259  1  0.940079  0.055215  0.573217  1
  C  C260  1  0.050195  0.683102  0.600837  1
  C  C261  1  0.078373  0.035826  0.586958  1
  C  C262  1  0.273413  0.721882  0.573217  1
  C  C263  1  0.383528  0.349768  0.600837  1
  C  C264  1  0.411706  0.702492  0.586958  1
  C  C265  1  0.606746  0.388548  0.573217  1
  C  C266  1  0.745039  0.369159  0.586958  1
  C  C267  1  0.883528  0.349768  0.600837  1
  C  C268  1  0.911706  0.702493  0.586958  1
  C  C269  1  0.106746  0.388548  0.573217  1
  C  C270  1  0.245039  0.369159  0.586958  1
  C  C271  1  0.727627  0.061582  0.568418  1
  C  C272  1  0.227628  0.061582  0.568418  1
  C  C273  1  0.365728  0.042629  0.582550  1
  C  C274  1  0.560961  0.728249  0.568418  1
  C  C275  1  0.503952  0.023530  0.596189  1
  C  C276  1  0.699062  0.709296  0.582550  1
  C  C277  1  0.865728  0.042629  0.582550  1
  C  C278  1  0.060961  0.728249  0.568418  1
  C  C279  1  0.003952  0.023530  0.596189  1
  C  C280  1  0.199062  0.709295  0.582550  1
  C  C281  1  0.394294  0.394916  0.568418  1
  C  C282  1  0.337285  0.690196  0.596189  1
  C  C283  1  0.532395  0.375962  0.582550  1
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