# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.42395333
_cell_length_b   21.98431457
_cell_length_c   16.44472151
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C479
_cell_volume   7745.31466887
_cell_formula_units_Z   479
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  0.112139  0.422359  0.861914  1
  C  C2  1  0.109332  0.916550  0.861762  1
  C  C3  1  0.611778  0.422800  0.861472  1
  C  C4  1  0.609132  0.916671  0.861811  1
  C  C5  1  0.067594  0.075354  0.513626  1
  C  C6  1  0.076479  0.584693  0.517895  1
  C  C7  1  0.574835  0.087849  0.525165  1
  C  C8  1  0.576601  0.584787  0.517863  1
  C  C9  1  0.328141  0.401151  0.808553  1
  C  C10  1  0.325325  0.894400  0.808642  1
  C  C11  1  0.827688  0.401055  0.807350  1
  C  C12  1  0.825061  0.894312  0.808475  1
  C  C13  1  0.082701  0.400342  0.035488  1
  C  C14  1  0.079920  0.896878  0.035858  1
  C  C15  1  0.582563  0.400933  0.035189  1
  C  C16  1  0.579836  0.897223  0.035985  1
  C  C17  1  0.185813  0.140005  0.844686  1
  C  C18  1  0.188471  0.646061  0.849988  1
  C  C19  1  0.685856  0.140045  0.844313  1
  C  C20  1  0.688632  0.646362  0.849745  1
  C  C21  1  0.389302  0.422676  0.862363  1
  C  C22  1  0.386485  0.916610  0.861955  1
  C  C23  1  0.888939  0.422464  0.861072  1
  C  C24  1  0.886274  0.916521  0.861684  1
  C  C25  1  0.415658  0.086205  0.925749  1
  C  C26  1  0.418404  0.591531  0.929738  1
  C  C27  1  0.915740  0.086225  0.924905  1
  C  C28  1  0.918476  0.591187  0.928890  1
  C  C29  1  0.173329  0.336923  0.944380  1
  C  C30  1  0.170488  0.832206  0.946204  1
  C  C31  1  0.672888  0.337297  0.943742  1
  C  C32  1  0.670250  0.832348  0.946283  1
  C  C33  1  0.285994  0.139909  0.100248  1
  C  C34  1  0.288573  0.642649  0.105464  1
  C  C35  1  0.786202  0.140023  0.099572  1
  C  C36  1  0.789098  0.642650  0.104992  1
  C  C37  1  0.386291  0.066727  0.099881  1
  C  C38  1  0.388925  0.569500  0.103315  1
  C  C39  1  0.886420  0.066648  0.099013  1
  C  C40  1  0.889271  0.569308  0.102565  1
  C  C41  1  0.420008  0.086308  0.530550  1
  C  C42  1  0.421781  0.584744  0.517947  1
  C  C43  1  0.912913  0.083378  0.513426  1
  C  C44  1  0.921658  0.584755  0.517873  1
  C  C45  1  0.161735  0.136052  0.422868  1
  C  C46  1  0.166979  0.648926  0.427511  1
  C  C47  1  0.662612  0.150369  0.428026  1
  C  C48  1  0.667022  0.649068  0.427415  1
  C  C49  1  0.415141  0.402121  0.440647  1
  C  C50  1  0.421676  0.903045  0.445666  1
  C  C51  1  0.921302  0.402440  0.437548  1
  C  C52  1  0.921796  0.903075  0.445576  1
  C  C53  1  0.109138  0.066518  0.099373  1
  C  C54  1  0.111782  0.569209  0.102968  1
  C  C55  1  0.609274  0.066895  0.099351  1
  C  C56  1  0.612123  0.569606  0.102908  1
  C  C57  1  0.312363  0.472255  0.221072  1
  C  C58  1  0.309674  0.971020  0.219756  1
  C  C59  1  0.812633  0.472123  0.220337  1
  C  C60  1  0.809817  0.971182  0.219363  1
  C  C61  1  0.991647  0.108697  0.289613  1
  C  C62  1  -0.000902  0.613933  0.293775  1
  C  C63  1  0.492527  0.108881  0.302461  1
  C  C64  1  0.499115  0.613971  0.293772  1
  C  C65  1  0.455768  0.422744  0.520490  1
  C  C66  1  0.460632  0.920613  0.528153  1
  C  C67  1  0.960365  0.420258  0.520049  1
  C  C68  1  0.960731  0.920624  0.528087  1
  C  C69  1  0.126047  0.388512  0.116869  1
  C  C70  1  0.123299  0.886074  0.117464  1
  C  C71  1  0.626013  0.388909  0.116423  1
  C  C72  1  0.623277  0.886421  0.117533  1
  C  C73  1  0.131948  0.115017  0.509402  1
  C  C74  1  0.137676  0.630275  0.516073  1
  C  C75  1  0.635380  0.133999  0.518492  1
  C  C76  1  0.637770  0.630402  0.516000  1
  C  C77  1  0.038772  0.459031  0.060364  1
  C  C78  1  0.036006  0.955864  0.059487  1
  C  C79  1  0.538724  0.459576  0.060527  1
  C  C80  1  0.535970  0.956224  0.059712  1
  C  C81  1  0.188605  0.345662  0.115082  1
  C  C82  1  0.185821  0.843157  0.116687  1
  C  C83  1  0.688442  0.345885  0.114418  1
  C  C84  1  0.685729  0.843408  0.116720  1
  C  C85  1  0.123597  0.786127  0.669810  1
  C  C86  1  0.622822  0.294478  0.664170  1
  C  C87  1  0.623633  0.786234  0.669760  1
  C  C88  1  0.247842  0.120483  0.791426  1
  C  C89  1  0.250536  0.627336  0.796286  1
  C  C90  1  0.747808  0.120441  0.790952  1
  C  C91  1  0.750556  0.627478  0.795866  1
  C  C92  1  0.075128  0.332691  0.305887  1
  C  C93  1  0.076574  0.840102  0.308554  1
  C  C94  1  0.567640  0.336088  0.301526  1
  C  C95  1  0.576450  0.840187  0.308540  1
  C  C96  1  0.312586  0.345802  0.115256  1
  C  C97  1  0.309797  0.843236  0.116796  1
  C  C98  1  0.812396  0.345759  0.114227  1
  C  C99  1  0.809703  0.843310  0.116668  1
  C  C100  1  0.204584  0.197191  0.404936  1
  C  C101  1  0.210893  0.707748  0.403158  1
  C  C102  1  0.705541  0.208544  0.398422  1
  C  C103  1  0.710901  0.707908  0.403031  1
  C  C104  1  0.129150  0.369054  0.611659  1
  C  C105  1  0.123621  0.850021  0.617424  1
  C  C106  1  0.621264  0.356437  0.607815  1
  C  C107  1  0.623595  0.850127  0.617372  1
  C  C108  1  0.061509  0.396854  0.611929  1
  C  C109  1  0.061168  0.893028  0.616161  1
  C  C110  1  0.558368  0.398818  0.606361  1
  C  C111  1  0.561116  0.893097  0.616153  1
  C  C112  1  0.326461  0.145943  0.439659  1
  C  C113  1  0.331264  0.648992  0.427613  1
  C  C114  1  0.824318  0.149172  0.421855  1
  C  C115  1  0.831218  0.649069  0.427473  1
  C  C116  1  0.075332  0.397889  0.440576  1
  C  C117  1  0.076616  0.903002  0.445595  1
  C  C118  1  0.569982  0.403128  0.434907  1
  C  C119  1  0.576495  0.903085  0.445585  1
  C  C120  1  0.029175  0.093574  0.597954  1
  C  C121  1  0.037390  0.596273  0.602724  1
  C  C122  1  0.537313  0.101641  0.610612  1
  C  C123  1  0.537532  0.596327  0.602718  1
  C  C124  1  0.250420  0.427777  0.221829  1
  C  C125  1  0.247713  0.926583  0.221532  1
  C  C126  1  0.750602  0.427764  0.221166  1
  C  C127  1  0.747790  0.926838  0.221352  1
  C  C128  1  0.457532  0.066348  0.447918  1
  C  C129  1  0.460700  0.567200  0.435421  1
  C  C130  1  0.951036  0.063518  0.431098  1
  C  C131  1  0.960596  0.567166  0.435380  1
  C  C132  1  0.079872  0.086167  0.925242  1
  C  C133  1  0.082540  0.591104  0.929275  1
  C  C134  1  0.579954  0.086378  0.925187  1
  C  C135  1  0.582746  0.591617  0.929293  1
  C  C136  1  0.117086  0.127652  0.341638  1
  C  C137  1  0.123559  0.637631  0.346062  1
  C  C138  1  0.617714  0.135776  0.348913  1
  C  C139  1  0.623592  0.637750  0.345982  1
  C  C140  1  0.209265  0.168065  0.932484  1
  C  C141  1  0.211888  0.672948  0.938453  1
  C  C142  1  0.709407  0.168147  0.932040  1
  C  C143  1  0.712239  0.673166  0.938170  1
  C  C144  1  0.325121  0.150997  0.015332  1
  C  C145  1  0.327739  0.654913  0.020868  1
  C  C146  1  0.825313  0.151062  0.014631  1
  C  C147  1  0.828154  0.654843  0.020289  1
  C  C148  1  0.389304  0.382721  0.947114  1
  C  C149  1  0.386465  0.877934  0.947758  1
  C  C150  1  0.888949  0.382617  0.945912  1
  C  C151  1  0.886291  0.877817  0.947466  1
  C  C152  1  0.069558  0.144334  0.646846  1
  C  C153  1  0.076489  0.647586  0.654960  1
  C  C154  1  0.576778  0.154911  0.658711  1
  C  C155  1  0.576614  0.647666  0.654931  1
  C  C156  1  0.134297  0.158544  0.593827  1
  C  C157  1  0.137686  0.669456  0.601465  1
  C  C158  1  0.636643  0.175518  0.601877  1
  C  C159  1  0.637781  0.669571  0.601402  1
  C  C160  1  0.459610  0.027291  0.901911  1
  C  C161  1  0.462369  0.532906  0.904696  1
  C  C162  1  0.959576  0.027170  0.901329  1
  C  C163  1  0.962275  0.532473  0.903732  1
  C  C164  1  0.360021  0.173512  0.610697  1
  C  C165  1  0.360608  0.669513  0.601550  1
  C  C166  1  0.853962  0.171124  0.594907  1
  C  C167  1  0.860519  0.669587  0.601410  1
  C  C168  1  0.247905  0.056623  0.739965  1
  C  C169  1  0.250669  0.564153  0.743357  1
  C  C170  1  0.747761  0.056527  0.739613  1
  C  C171  1  0.750443  0.564314  0.742894  1
  C  C172  1  0.133267  0.348898  0.447261  1
  C  C173  1  0.137776  0.857374  0.447430  1
  C  C174  1  0.631638  0.358152  0.437167  1
  C  C175  1  0.637686  0.857495  0.447373  1
  C  C176  1  0.170327  0.088698  0.152653  1
  C  C177  1  0.172897  0.590781  0.156835  1
  C  C178  1  0.670480  0.089120  0.152563  1
  C  C179  1  0.673376  0.591013  0.156625  1
  C  C180  1  0.208324  0.275218  0.566852  1
  C  C181  1  0.210940  0.779870  0.560402  1
  C  C182  1  0.707766  0.284907  0.552049  1
  C  C183  1  0.710936  0.780025  0.560283  1
  C  C184  1  0.188377  0.472120  0.220908  1
  C  C185  1  0.185693  0.970939  0.219599  1
  C  C186  1  0.688675  0.472264  0.220503  1
  C  C187  1  0.685838  0.971287  0.219476  1
  C  C188  1  0.285493  0.282065  0.566207  1
  C  C189  1  0.287381  0.779910  0.560480  1
  C  C190  1  0.784195  0.283440  0.552452  1
  C  C191  1  0.787377  0.780039  0.560313  1
  C  C192  1  0.452507  0.387770  0.355224  1
  C  C193  1  0.460744  0.891501  0.360812  1
  C  C194  1  0.960567  0.388627  0.353458  1
  C  C195  1  0.960886  0.891497  0.360747  1
  C  C196  1  0.109130  0.105291  0.013649  1
  C  C197  1  0.111774  0.609060  0.018131  1
  C  C198  1  0.609276  0.105558  0.013536  1
  C  C199  1  0.612109  0.609498  0.018104  1
  C  C200  1  0.326879  0.341190  0.538198  1
  C  C201  1  0.331254  0.838758  0.536109  1
  C  C202  1  0.829479  0.341514  0.528800  1
  C  C203  1  0.831295  0.838859  0.535967  1
  C  C204  1  0.415600  -0.000662  0.118547  1
  C  C205  1  0.418292  0.501917  0.120513  1
  C  C206  1  0.915676  -0.000728  0.117898  1
  C  C207  1  0.918490  0.501641  0.119591  1
  C  C208  1  0.367095  0.195298  0.302524  1
  C  C209  1  0.374635  0.701589  0.293750  1
  C  C210  1  0.869770  0.200348  0.288440  1
  C  C211  1  0.874671  0.701630  0.293643  1
  C  C212  1  0.437857  0.274264  0.722209  1
  C  C213  1  0.437218  0.765861  0.720502  1
  C  C214  1  0.933109  0.265765  0.712201  1
  C  C215  1  0.937147  0.765884  0.720424  1
  C  C216  1  0.325063  0.088914  0.153077  1
  C  C217  1  0.327651  0.590918  0.156985  1
  C  C218  1  0.825214  0.088882  0.152217  1
  C  C219  1  0.828124  0.590825  0.156410  1
  C  C220  1  0.052865  0.087273  0.343221  1
  C  C221  1  0.061066  0.594682  0.347333  1
  C  C222  1  0.555846  0.092183  0.354855  1
  C  C223  1  0.561122  0.594768  0.347285  1
  C  C224  1  0.161513  0.240541  0.345799  1
  C  C225  1  0.167020  0.750672  0.344081  1
  C  C226  1  0.660029  0.248929  0.338281  1
  C  C227  1  0.666979  0.750816  0.343996  1
  C  C228  1  0.118401  0.192854  0.292457  1
  C  C229  1  0.123600  0.701514  0.293653  1
  C  C230  1  0.615977  0.197745  0.292596  1
  C  C231  1  0.623570  0.701639  0.293585  1
  C  C232  1  0.386319  0.105406  0.014080  1
  C  C233  1  0.388978  0.609399  0.018518  1
  C  C234  1  0.886460  0.105406  0.013276  1
  C  C235  1  0.889276  0.609186  0.017750  1
  C  C236  1  0.123336  0.097027  0.843727  1
  C  C237  1  0.126017  0.603070  0.848049  1
  C  C238  1  0.623344  0.097114  0.843576  1
  C  C239  1  0.626081  0.603503  0.847917  1
  C  C240  1  0.212354  0.448474  0.750645  1
  C  C241  1  0.209483  0.941056  0.749676  1
  C  C242  1  0.711825  0.448689  0.749821  1
  C  C243  1  0.709226  0.941013  0.749568  1
  C  C244  1  0.125946  0.452068  0.169984  1
  C  C245  1  0.123238  0.950281  0.169161  1
  C  C246  1  0.626126  0.452387  0.169706  1
  C  C247  1  0.623321  0.950667  0.169145  1
  C  C248  1  0.036441  0.420817  0.520077  1
  C  C249  1  0.037676  0.920575  0.528093  1
  C  C250  1  0.532664  0.423201  0.517660  1
  C  C251  1  0.537576  0.920643  0.528106  1
  C  C252  1  0.462283  0.459481  0.060961  1
  C  C253  1  0.459529  0.956128  0.059917  1
  C  C254  1  0.962332  0.459121  0.059955  1
  C  C255  1  0.959564  0.955922  0.059400  1
  C  C256  1  0.173419  0.400935  0.808263  1
  C  C257  1  0.170576  0.894386  0.808579  1
  C  C258  1  0.672879  0.401246  0.807565  1
  C  C259  1  0.670314  0.894418  0.808572  1
  C  C260  1  0.309902  0.012237  0.741857  1
  C  C261  1  0.312712  0.519809  0.744281  1
  C  C262  1  0.809724  0.012093  0.741503  1
  C  C263  1  0.812372  0.519817  0.743587  1
  C  C264  1  0.053492  0.262505  0.723767  1
  C  C265  1  0.061112  0.765826  0.720440  1
  C  C266  1  0.561645  0.275153  0.718083  1
  C  C267  1  0.561183  0.765888  0.720434  1
  C  C268  1  0.372233  0.355205  0.617372  1
  C  C269  1  0.374686  0.850081  0.617540  1
  C  C270  1  0.873126  0.351736  0.610023  1
  C  C271  1  0.874708  0.850150  0.617423  1
  C  C272  1  0.170278  0.150942  0.015112  1
  C  C273  1  0.172894  0.654721  0.020654  1
  C  C274  1  0.670481  0.151140  0.014762  1
  C  C275  1  0.673342  0.655018  0.020481  1
  C  C276  1  0.286139  0.042166  0.211852  1
  C  C277  1  0.288758  0.543469  0.214781  1
  C  C278  1  0.786320  0.042331  0.211303  1
  C  C279  1  0.789206  0.543402  0.214215  1
  C  C280  1  0.280587  0.202544  0.412161  1
  C  C281  1  0.287334  0.707796  0.403229  1
  C  C282  1  0.781974  0.208950  0.396899  1
  C  C283  1  0.787342  0.707908  0.403074  1
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