# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.34554009
_cell_length_b   19.51185429
_cell_length_c   20.14819255
_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   C559
_cell_volume   9177.79942873
_cell_formula_units_Z   559
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  0.387633  0.592932  0.431376  1
  C  C2  1  0.886093  0.592888  0.431352  1
  C  C3  1  0.035870  0.561403  0.820362  1
  C  C4  1  0.536021  0.561892  0.818049  1
  C  C5  1  0.377382  0.727435  0.679278  1
  C  C6  1  0.876688  0.726665  0.679310  1
  C  C7  1  0.099116  0.240219  0.248519  1
  C  C8  1  0.599196  0.240041  0.248552  1
  C  C9  1  0.112070  0.593456  0.431187  1
  C  C10  1  0.613491  0.593405  0.431385  1
  C  C11  1  0.465112  0.810858  0.109017  1
  C  C12  1  0.963590  0.809753  0.108315  1
  C  C13  1  0.331037  0.615184  0.317928  1
  C  C14  1  0.829550  0.614685  0.317862  1
  C  C15  1  0.999276  0.560439  0.012951  1
  C  C16  1  0.500621  0.561932  0.012320  1
  C  C17  1  0.351768  0.650549  0.108965  1
  C  C18  1  0.850250  0.649346  0.108872  1
  C  C19  1  0.031829  0.189193  0.609227  1
  C  C20  1  0.536276  0.189929  0.609016  1
  C  C21  1  0.034425  0.693170  0.023567  1
  C  C22  1  0.535855  0.694512  0.023836  1
  C  C23  1  0.037605  0.558673  0.679555  1
  C  C24  1  0.536016  0.561891  0.679066  1
  C  C25  1  0.111076  0.404712  0.931084  1
  C  C26  1  0.613768  0.407848  0.931377  1
  C  C27  1  0.055246  0.612989  0.023671  1
  C  C28  1  0.556603  0.614284  0.023464  1
  C  C29  1  0.146236  0.346533  0.886207  1
  C  C30  1  0.649638  0.350229  0.888141  1
  C  C31  1  0.372906  0.730665  0.109000  1
  C  C32  1  0.871385  0.729463  0.108578  1
  C  C33  1  0.429182  0.552280  0.748562  1
  C  C34  1  0.930157  0.551538  0.749137  1
  C  C35  1  0.070990  0.447710  0.249017  1
  C  C36  1  0.572228  0.448516  0.248561  1
  C  C37  1  0.464998  0.694364  0.023833  1
  C  C38  1  0.963555  0.692957  0.023629  1
  C  C39  1  0.149087  0.348905  0.613460  1
  C  C40  1  0.649629  0.350229  0.608966  1
  C  C41  1  0.055109  0.614668  0.473067  1
  C  C42  1  0.556589  0.614283  0.473656  1
  C  C43  1  0.034959  0.438344  0.318502  1
  C  C44  1  0.536192  0.439043  0.318051  1
  C  C45  1  0.422879  0.841887  0.748518  1
  C  C46  1  0.922369  0.841010  0.748552  1
  C  C47  1  0.648532  0.465772  0.679087  1
  C  C48  1  0.465218  0.561750  0.818051  1
  C  C49  1  0.965776  0.561502  0.819045  1
  C  C50  1  0.999326  0.484143  0.058709  1
  C  C51  1  0.500730  0.485685  0.058086  1
  C  C52  1  0.320348  0.253651  0.431316  1
  C  C53  1  0.820448  0.253036  0.431348  1
  C  C54  1  0.112135  0.520342  0.109561  1
  C  C55  1  0.613508  0.521509  0.109282  1
  C  C56  1  0.074454  0.552577  0.750285  1
  C  C57  1  0.572079  0.552567  0.748556  1
  C  C58  1  0.123111  0.274185  0.317762  1
  C  C59  1  0.623238  0.273961  0.317794  1
  C  C60  1  0.430580  0.247531  0.931358  1
  C  C61  1  0.926198  0.247365  0.931098  1
  C  C62  1  0.123111  0.274188  0.179278  1
  C  C63  1  0.623238  0.273961  0.179310  1
  C  C64  1  0.032765  0.304314  0.973247  1
  C  C65  1  0.536411  0.306424  0.973283  1
  C  C66  1  0.444797  0.386511  0.523465  1
  C  C67  1  0.942607  0.387450  0.523597  1
  C  C68  1  0.112203  0.521318  0.388012  1
  C  C69  1  0.613500  0.521507  0.387843  1
  C  C70  1  0.320348  0.253658  0.065724  1
  C  C71  1  0.820448  0.253036  0.065756  1
  C  C72  1  0.132243  0.512271  0.759073  1
  C  C73  1  0.629603  0.503584  0.748554  1
  C  C74  1  0.031159  0.187766  0.887885  1
  C  C75  1  0.536285  0.189929  0.888100  1
  C  C76  1  0.034918  0.437936  0.179586  1
  C  C77  1  0.536197  0.439044  0.179068  1
  C  C78  1  0.444756  0.527809  0.608610  1
  C  C79  1  0.944984  0.527873  0.609006  1
  C  C80  1  0.464984  0.694362  0.473282  1
  C  C81  1  0.963386  0.694566  0.472921  1
  C  C82  1  0.999079  0.515576  0.557061  1
  C  C83  1  0.500677  0.515105  0.558086  1
  C  C84  1  0.352200  0.349631  0.888152  1
  C  C85  1  0.849209  0.351035  0.888064  1
  C  C86  1  0.464886  0.840438  0.248558  1
  C  C87  1  0.963334  0.839833  0.247727  1
  C  C88  1  0.372898  0.730664  0.388107  1
  C  C89  1  0.871328  0.730492  0.387626  1
  C  C90  1  0.148492  0.463534  0.817927  1
  C  C91  1  0.648536  0.465772  0.818019  1
  C  C92  1  0.444811  0.386511  0.973656  1
  C  C93  1  0.942087  0.385855  0.974007  1
  C  C94  1  0.056153  0.525958  0.889599  1
  C  C95  1  0.556573  0.528035  0.888508  1
  C  C96  1  0.182681  0.367425  0.677760  1
  C  C97  1  0.670358  0.385591  0.679176  1
  C  C98  1  0.444844  0.472753  0.108606  1
  C  C99  1  0.943423  0.471476  0.109195  1
  C  C100  1  0.034301  0.694769  0.472771  1
  C  C101  1  0.535841  0.694511  0.473285  1
  C  C102  1  0.285062  0.340980  0.248522  1
  C  C103  1  0.785283  0.340431  0.248552  1
  C  C104  1  0.998788  0.437183  0.985389  1
  C  C105  1  0.500797  0.438859  0.984798  1
  C  C106  1  0.444835  0.472751  0.388507  1
  C  C107  1  0.943610  0.472629  0.388776  1
  C  C108  1  0.351760  0.650547  0.388140  1
  C  C109  1  0.850192  0.650383  0.387919  1
  C  C110  1  0.431522  0.177119  0.817823  1
  C  C111  1  0.926325  0.177235  0.817381  1
  C  C112  1  0.999095  0.562060  0.484637  1
  C  C113  1  0.500606  0.561930  0.484797  1
  C  C114  1  0.999458  0.439181  0.513076  1
  C  C115  1  0.500783  0.438859  0.512320  1
  C  C116  1  0.331041  0.615185  0.179175  1
  C  C117  1  0.829541  0.614167  0.179167  1
  C  C118  1  0.465861  0.160206  0.748561  1
  C  C119  1  0.960487  0.159770  0.748165  1
  C  C120  1  0.465541  0.306281  0.523836  1
  C  C121  1  0.962806  0.307203  0.524142  1
  C  C122  1  0.465103  0.810857  0.388100  1
  C  C123  1  0.963543  0.810748  0.387346  1
  C  C124  1  0.112186  0.592131  0.065852  1
  C  C125  1  0.613503  0.593406  0.065740  1
  C  C126  1  0.331370  0.384910  0.679190  1
  C  C127  1  0.829254  0.387468  0.679139  1
  C  C128  1  0.374365  0.226492  0.817807  1
  C  C129  1  0.869854  0.227748  0.817362  1
  C  C130  1  0.431517  0.177119  0.679301  1
  C  C131  1  0.926684  0.177817  0.678857  1
  C  C132  1  0.387644  0.592934  0.065732  1
  C  C133  1  0.886167  0.591538  0.065907  1
  C  C134  1  0.387910  0.407394  0.931386  1
  C  C135  1  0.885561  0.407887  0.931674  1
  C  C136  1  0.284925  0.311401  0.108979  1
  C  C137  1  0.785105  0.310850  0.109010  1
  C  C138  1  0.055478  0.472479  0.388947  1
  C  C139  1  0.556643  0.472985  0.388512  1
  C  C140  1  0.054260  0.384144  0.973949  1
  C  C141  1  0.556929  0.386736  0.973653  1
  C  C142  1  0.465394  0.438896  0.179066  1
  C  C143  1  0.964128  0.437776  0.179679  1
  C  C144  1  0.068130  0.247634  0.567372  1
  C  C145  1  0.571536  0.247814  0.565761  1
  C  C146  1  0.422401  0.160438  0.248518  1
  C  C147  1  0.922369  0.159616  0.248552  1
  C  C148  1  0.328064  0.659337  0.248552  1
  C  C149  1  0.826549  0.658619  0.248359  1
  C  C150  1  0.430591  0.823384  0.317817  1
  C  C151  1  0.929020  0.822997  0.317024  1
  C  C152  1  0.419552  0.116275  0.179141  1
  C  C153  1  0.919459  0.115457  0.179175  1
  C  C154  1  0.124218  0.269123  0.611243  1
  C  C155  1  0.628486  0.270114  0.609001  1
  C  C156  1  0.319404  0.324068  0.179261  1
  C  C157  1  0.819601  0.323449  0.179291  1
  C  C158  1  0.377359  0.231585  0.108966  1
  C  C159  1  0.877427  0.230850  0.108998  1
  C  C160  1  0.376560  0.274691  0.317763  1
  C  C161  1  0.876688  0.273961  0.317794  1
  C  C162  1  0.387836  0.521035  0.387834  1
  C  C163  1  0.886517  0.520851  0.388020  1
  C  C164  1  0.031190  0.158153  0.748456  1
  C  C165  1  0.536500  0.160348  0.748558  1
  C  C166  1  0.387905  0.479291  0.887844  1
  C  C167  1  0.886554  0.479957  0.888301  1
  C  C168  1  0.373567  0.269602  0.888118  1
  C  C169  1  0.869535  0.270621  0.887804  1
  C  C170  1  0.350273  0.260363  0.748565  1
  C  C171  1  0.846387  0.262315  0.748155  1
  C  C172  1  0.054909  0.386767  0.525840  1
  C  C173  1  0.556916  0.386735  0.523461  1
  C  C174  1  0.067233  0.245258  0.930997  1
  C  C175  1  0.571548  0.247814  0.931352  1
  C  C176  1  0.465214  0.561750  0.679069  1
  C  C177  1  0.967723  0.559401  0.680315  1
  C  C178  1  0.429844  0.752969  0.431352  1
  C  C179  1  0.928257  0.753043  0.430778  1
  C  C180  1  0.352871  0.535006  0.179086  1
  C  C181  1  0.851425  0.533997  0.179381  1
  C  C182  1  0.387899  0.407394  0.565741  1
  C  C183  1  0.885964  0.409285  0.565728  1
  C  C184  1  0.128286  0.497083  0.248865  1
  C  C185  1  0.629611  0.497735  0.248563  1
  C  C186  1  0.398726  0.151556  0.108931  1
  C  C187  1  0.898683  0.150778  0.108964  1
  C  C188  1  0.400649  0.240820  0.248520  1
  C  C189  1  0.900731  0.240041  0.248552  1
  C  C190  1  0.331372  0.384910  0.817942  1
  C  C191  1  0.829060  0.386971  0.817874  1
  C  C192  1  0.999315  0.513395  0.940033  1
  C  C193  1  0.500689  0.515106  0.939031  1
  C  C194  1  0.444485  0.614050  0.023462  1
  C  C195  1  0.943097  0.612646  0.023828  1
  C  C196  1  0.429855  0.752970  0.065761  1
  C  C197  1  0.928324  0.751698  0.065286  1
  C  C198  1  0.065685  0.174778  0.679323  1
  C  C199  1  0.570792  0.177399  0.679296  1
  C  C200  1  0.465555  0.306281  0.973285  1
  C  C201  1  0.961897  0.305321  0.973258  1
  C  C202  1  0.999503  0.485488  0.438973  1
  C  C203  1  0.500718  0.485683  0.439031  1
  C  C204  1  0.113233  0.486356  0.590692  1
  C  C205  1  0.613560  0.479744  0.609274  1
  C  C206  1  0.033817  0.307280  0.525256  1
  C  C207  1  0.536397  0.306423  0.523833  1
  C  C208  1  0.444765  0.527808  0.888511  1
  C  C209  1  0.944063  0.527229  0.889339  1
  C  C210  1  0.465994  0.189788  0.609019  1
  C  C211  1  0.961563  0.190262  0.608779  1
  C  C212  1  0.430569  0.247531  0.565766  1
  C  C213  1  0.927019  0.248825  0.565620  1
  C  C214  1  0.111996  0.476515  0.889456  1
  C  C215  1  0.613568  0.479745  0.887835  1
  C  C216  1  0.444471  0.614048  0.473652  1
  C  C217  1  0.942822  0.614372  0.473523  1
  C  C218  1  0.374360  0.226492  0.679322  1
  C  C219  1  0.870181  0.228266  0.678856  1
  C  C220  1  0.352972  0.465179  0.818031  1
  C  C221  1  0.851827  0.466733  0.818199  1
  C  C222  1  0.401370  0.761411  0.748519  1
  C  C223  1  0.900731  0.760585  0.748552  1
  C  C224  1  0.398726  0.151550  0.388105  1
  C  C225  1  0.898683  0.150778  0.388139  1
  C  C226  1  0.371803  0.497195  0.248553  1
  C  C227  1  0.870453  0.496408  0.248919  1
  C  C228  1  0.352867  0.535005  0.318019  1
  C  C229  1  0.851503  0.534527  0.318227  1
  C  C230  1  0.352969  0.465179  0.679099  1
  C  C231  1  0.852069  0.467249  0.679319  1
  C  C232  1  0.147067  0.534791  0.179299  1
  C  C233  1  0.648436  0.535624  0.179098  1
  C  C234  1  0.373559  0.269602  0.609011  1
  C  C235  1  0.870112  0.271657  0.608705  1
  C  C236  1  0.387845  0.521037  0.109273  1
  C  C237  1  0.886409  0.519762  0.109638  1
  C  C238  1  0.147092  0.535276  0.318189  1
  C  C239  1  0.648432  0.535623  0.318031  1
  C  C240  1  0.376560  0.274694  0.179278  1
  C  C241  1  0.876688  0.273961  0.179310  1
  C  C242  1  0.377359  0.231580  0.388073  1
  C  C243  1  0.877427  0.230850  0.388105  1
  C  C244  1  0.319404  0.324065  0.317782  1
  C  C245  1  0.819601  0.323449  0.317812  1
  C  C246  1  0.124272  0.266539  0.887922  1
  C  C247  1  0.628495  0.270114  0.888108  1
  C  C248  1  0.429330  0.448217  0.248555  1
  C  C249  1  0.927974  0.447411  0.249071  1
  C  C250  1  0.387897  0.479291  0.609283  1
  C  C251  1  0.887102  0.480990  0.609605  1
  C  C252  1  0.112431  0.409638  0.568051  1
  C  C253  1  0.613758  0.407847  0.565732  1
  C  C254  1  0.419552  0.116272  0.317894  1
  C  C255  1  0.919459  0.115457  0.317928  1
  C  C256  1  0.430595  0.823385  0.179296  1
  C  C257  1  0.929038  0.822501  0.178534  1
  C  C258  1  0.371795  0.503067  0.748564  1
  C  C259  1  0.871832  0.504347  0.748951  1
  C  C260  1  0.328522  0.340746  0.748566  1
  C  C261  1  0.825701  0.343093  0.748350  1
  C  C262  1  0.167907  0.381274  0.817466  1
  C  C263  1  0.670363  0.385591  0.817929  1
  C  C264  1  0.065486  0.173977  0.817912  1
  C  C265  1  0.570796  0.177399  0.817817  1
  C  C266  1  0.352192  0.349631  0.608978  1
  C  C267  1  0.849576  0.351981  0.608836  1
  C  C268  1  0.058398  0.529281  0.606730  1
  C  C269  1  0.556564  0.528033  0.608605  1
  C  C270  1  0.377382  0.727438  0.817762  1
  C  C271  1  0.876688  0.726665  0.817794  1
  C  C272  1  0.466002  0.189788  0.888102  1
  C  C273  1  0.960866  0.189062  0.887767  1
  C  C274  1  0.465389  0.438895  0.318048  1
  C  C275  1  0.964203  0.438308  0.318453  1
  C  C276  1  0.055384  0.471613  0.108995  1
  C  C277  1  0.556652  0.472985  0.108609  1
  C  C278  1  0.284925  0.311395  0.388063  1
  C  C279  1  0.785105  0.310850  0.388093  1
  C  C280  1  0.137157  0.093336  0.431339  1
  C  C281  1  0.637034  0.093087  0.431374  1
  C  C282  1  0.285519  0.062301  0.818005  1
  C  C283  1  0.785365  0.061739  0.818043  1
  C  C284  1  0.123545  0.223694  0.680045  1
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