# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.14662583
_cell_length_b   19.22046138
_cell_length_c   47.27350232
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.55681140
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C624
_cell_volume   10734.2551534
_cell_formula_units_Z   624
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  0.114477  0.565562  0.303785  1
  C  C2  1  0.514833  0.570971  0.291081  1
  C  C3  1  0.912202  0.630565  0.254608  1
  C  C4  1  0.114477  0.065562  0.303785  1
  C  C5  1  0.514833  0.070971  0.291081  1
  C  C6  1  0.912202  0.130565  0.254608  1
  C  C7  1  0.333992  0.687252  0.302468  1
  C  C8  1  0.728524  0.701277  0.291506  1
  C  C9  1  0.022103  0.770494  0.255982  1
  C  C10  1  0.333992  0.187252  0.302468  1
  C  C11  1  0.728524  0.201277  0.291506  1
  C  C12  1  0.022103  0.270494  0.255982  1
  C  C13  1  0.072401  0.650392  0.310491  1
  C  C14  1  0.470210  0.655743  0.298155  1
  C  C15  1  0.861951  0.673433  0.284286  1
  C  C16  1  0.072401  0.150392  0.310491  1
  C  C17  1  0.470210  0.155743  0.298155  1
  C  C18  1  0.861951  0.173433  0.284286  1
  C  C19  1  0.248730  0.531595  0.297587  1
  C  C20  1  0.645634  0.540681  0.280792  1
  C  C21  1  0.857988  0.526383  0.308044  1
  C  C22  1  0.248730  0.031595  0.297587  1
  C  C23  1  0.645634  0.040681  0.280792  1
  C  C24  1  0.857988  0.026383  0.308044  1
  C  C25  1  0.164875  0.407887  0.292123  1
  C  C26  1  0.573209  0.423860  0.278443  1
  C  C27  1  0.804006  0.401166  0.284300  1
  C  C28  1  0.164875  0.907887  0.292123  1
  C  C29  1  0.573209  0.923860  0.278443  1
  C  C30  1  0.804006  0.901166  0.284300  1
  C  C31  1  0.314782  0.770698  0.292637  1
  C  C32  1  0.694211  0.786257  0.299412  1
  C  C33  1  0.075680  0.795099  0.285874  1
  C  C34  1  0.314782  0.270698  0.292637  1
  C  C35  1  0.694211  0.286257  0.299412  1
  C  C36  1  0.075680  0.295099  0.285874  1
  C  C37  1  0.191667  0.823075  0.283016  1
  C  C38  1  0.407027  0.809442  0.307644  1
  C  C39  1  0.803511  0.822134  0.296862  1
  C  C40  1  0.191667  0.323075  0.283016  1
  C  C41  1  0.407027  0.309442  0.307644  1
  C  C42  1  0.803511  0.322134  0.296862  1
  C  C43  1  0.272584  0.445598  0.290635  1
  C  C44  1  0.681813  0.453211  0.272673  1
  C  C45  1  0.890383  0.441117  0.300648  1
  C  C46  1  0.272584  0.945598  0.290635  1
  C  C47  1  0.681813  0.953211  0.272673  1
  C  C48  1  0.890383  0.941117  0.300648  1
  C  C49  1  0.926977  0.549697  0.335952  1
  C  C50  1  0.324283  0.553747  0.324009  1
  C  C51  1  0.731691  0.573422  0.300363  1
  C  C52  1  0.926977  0.049697  0.335952  1
  C  C53  1  0.324283  0.053747  0.324009  1
  C  C54  1  0.731691  0.073422  0.300363  1
  C  C55  1  0.147828  0.673049  0.336688  1
  C  C56  1  0.543627  0.678601  0.325116  1
  C  C57  1  0.933591  0.684318  0.313199  1
  C  C58  1  0.147828  0.173049  0.336688  1
  C  C59  1  0.543627  0.178601  0.325116  1
  C  C60  1  0.933591  0.184318  0.313199  1
  C  C61  1  0.894341  0.639436  0.342358  1
  C  C62  1  0.290777  0.645355  0.329811  1
  C  C63  1  0.685937  0.652090  0.317045  1
  C  C64  1  0.894341  0.139436  0.342358  1
  C  C65  1  0.290777  0.145355  0.329811  1
  C  C66  1  0.685937  0.152090  0.317045  1
  C  C67  1  0.070481  0.519951  0.330099  1
  C  C68  1  0.467388  0.526941  0.317350  1
  C  C69  1  0.670272  0.510786  0.347300  1
  C  C70  1  0.070481  0.019951  0.330099  1
  C  C71  1  0.467388  0.026941  0.317350  1
  C  C72  1  0.670272  0.010786  0.347300  1
  C  C73  1  0.980992  0.397779  0.325040  1
  C  C74  1  0.352549  0.393385  0.314043  1
  C  C75  1  0.590774  0.391973  0.337164  1
  C  C76  1  0.980992  0.897779  0.325040  1
  C  C77  1  0.352549  0.893385  0.314043  1
  C  C78  1  0.590774  0.891973  0.337164  1
  C  C79  1  0.110540  0.763722  0.343844  1
  C  C80  1  0.503893  0.769244  0.331226  1
  C  C81  1  0.896824  0.777076  0.320141  1
  C  C82  1  0.110540  0.263722  0.343844  1
  C  C83  1  0.503893  0.269244  0.331226  1
  C  C84  1  0.896824  0.277076  0.320141  1
  C  C85  1  0.017868  0.807120  0.317694  1
  C  C86  1  0.220383  0.799248  0.347638  1
  C  C87  1  0.624753  0.801549  0.330132  1
  C  C88  1  0.017868  0.307120  0.317694  1
  C  C89  1  0.220383  0.299248  0.347638  1
  C  C90  1  0.624753  0.301549  0.330132  1
  C  C91  1  0.100958  0.429992  0.323038  1
  C  C92  1  0.527692  0.440990  0.308967  1
  C  C93  1  0.704376  0.425872  0.341024  1
  C  C94  1  0.100958  0.929992  0.323038  1
  C  C95  1  0.527692  0.940990  0.308967  1
  C  C96  1  0.704376  0.925872  0.341024  1
  C  C97  1  0.751499  0.534435  0.372157  1
  C  C98  1  0.143552  0.538880  0.359095  1
  C  C99  1  0.531661  0.545609  0.348495  1
  C  C100  1  0.751499  0.034435  0.372157  1
  C  C101  1  0.143552  0.038880  0.359095  1
  C  C102  1  0.531661  0.045609  0.348495  1
  C  C103  1  0.967509  0.657164  0.371047  1
  C  C104  1  0.360329  0.662927  0.359414  1
  C  C105  1  0.753722  0.668253  0.347898  1
  C  C106  1  0.967509  0.157164  0.371047  1
  C  C107  1  0.360329  0.162927  0.359414  1
  C  C108  1  0.753722  0.168253  0.347898  1
  C  C109  1  0.716374  0.625593  0.376667  1
  C  C110  1  0.109940  0.628490  0.365452  1
  C  C111  1  0.502419  0.636030  0.353835  1
  C  C112  1  0.716374  0.125593  0.376667  1
  C  C113  1  0.109940  0.128490  0.365452  1
  C  C114  1  0.502419  0.136030  0.353835  1
  C  C115  1  0.893006  0.504021  0.364761  1
  C  C116  1  0.285084  0.510139  0.352675  1
  C  C117  1  0.496220  0.498706  0.376729  1
  C  C118  1  0.893006  0.004021  0.364761  1
  C  C119  1  0.285084  0.010139  0.352675  1
  C  C120  1  0.496220  0.998706  0.376729  1
  C  C121  1  0.807989  0.379791  0.361184  1
  C  C122  1  0.193593  0.387218  0.349274  1
  C  C123  1  0.411776  0.375535  0.371349  1
  C  C124  1  0.807989  0.879791  0.361184  1
  C  C125  1  0.193593  0.887218  0.349274  1
  C  C126  1  0.411776  0.875535  0.371349  1
  C  C127  1  0.933289  0.747345  0.377873  1
  C  C128  1  0.326632  0.753298  0.366836  1
  C  C129  1  0.719818  0.757957  0.354879  1
  C  C130  1  0.933289  0.247345  0.377873  1
  C  C131  1  0.326632  0.253298  0.366836  1
  C  C132  1  0.719818  0.257957  0.354879  1
  C  C133  1  0.839222  0.790032  0.353147  1
  C  C134  1  0.051012  0.780840  0.376859  1
  C  C135  1  0.446448  0.786265  0.364412  1
  C  C136  1  0.839222  0.290032  0.353147  1
  C  C137  1  0.051012  0.280840  0.376859  1
  C  C138  1  0.446448  0.286265  0.364412  1
  C  C139  1  0.925772  0.414642  0.358374  1
  C  C140  1  0.315226  0.419680  0.346985  1
  C  C141  1  0.529138  0.409179  0.370211  1
  C  C142  1  0.925772  0.914642  0.358374  1
  C  C143  1  0.315226  0.919680  0.346985  1
  C  C144  1  0.529138  0.909179  0.370211  1
  C  C145  1  0.569851  0.518054  0.405401  1
  C  C146  1  0.963480  0.523476  0.393696  1
  C  C147  1  0.354465  0.528865  0.381959  1
  C  C148  1  0.569851  0.018054  0.405401  1
  C  C149  1  0.963480  0.023476  0.393696  1
  C  C150  1  0.354465  0.028865  0.381959  1
  C  C151  1  0.788476  0.642896  0.405807  1
  C  C152  1  0.181438  0.647805  0.394209  1
  C  C153  1  0.574428  0.653583  0.382873  1
  C  C154  1  0.788476  0.142896  0.405807  1
  C  C155  1  0.181438  0.147805  0.394209  1
  C  C156  1  0.574428  0.153583  0.382873  1
  C  C157  1  0.537615  0.608255  0.411176  1
  C  C158  1  0.930486  0.613532  0.399767  1
  C  C159  1  0.323498  0.619246  0.387941  1
  C  C160  1  0.537615  0.108255  0.411176  1
  C  C161  1  0.930486  0.113532  0.399767  1
  C  C162  1  0.323498  0.119246  0.387941  1
  C  C163  1  0.712162  0.488008  0.400327  1
  C  C164  1  0.105828  0.494909  0.387621  1
  C  C165  1  0.319639  0.483318  0.410508  1
  C  C166  1  0.712162  0.988008  0.400327  1
  C  C167  1  0.105828  0.994909  0.387621  1
  C  C168  1  0.319639  0.983318  0.410508  1
  C  C169  1  0.625545  0.365806  0.394404  1
  C  C170  1  0.018317  0.370844  0.383183  1
  C  C171  1  0.233731  0.360427  0.406201  1
  C  C172  1  0.625545  0.865806  0.394404  1
  C  C173  1  0.018317  0.870844  0.383183  1
  C  C174  1  0.233731  0.860427  0.406201  1
  C  C175  1  0.754603  0.732949  0.412158  1
  C  C176  1  0.147563  0.737856  0.401066  1
  C  C177  1  0.540254  0.743837  0.389066  1
  C  C178  1  0.754603  0.232949  0.412158  1
  C  C179  1  0.147563  0.237856  0.401066  1
  C  C180  1  0.540254  0.243837  0.389066  1
  C  C181  1  0.660116  0.776081  0.387482  1
  C  C182  1  0.874329  0.764886  0.410753  1
  C  C183  1  0.266481  0.770582  0.400061  1
  C  C184  1  0.660116  0.276081  0.387482  1
  C  C185  1  0.874329  0.264886  0.410753  1
  C  C186  1  0.266481  0.270582  0.400061  1
  C  C187  1  0.744939  0.398381  0.393975  1
  C  C188  1  0.136570  0.404826  0.382266  1
  C  C189  1  0.352552  0.393401  0.404223  1
  C  C190  1  0.744939  0.898381  0.393975  1
  C  C191  1  0.136570  0.904826  0.382266  1
  C  C192  1  0.352552  0.893401  0.404223  1
  C  C193  1  0.391586  0.502323  0.439437  1
  C  C194  1  0.785615  0.507792  0.428570  1
  C  C195  1  0.178038  0.513115  0.416672  1
  C  C196  1  0.391586  0.002323  0.439437  1
  C  C197  1  0.785615  0.007792  0.428570  1
  C  C198  1  0.178038  0.013115  0.416672  1
  C  C199  1  0.609764  0.626896  0.440123  1
  C  C200  1  0.002889  0.631974  0.428686  1
  C  C201  1  0.395642  0.637004  0.417055  1
  C  C202  1  0.609764  0.126896  0.440123  1
  C  C203  1  0.002889  0.131974  0.428686  1
  C  C204  1  0.395642  0.137004  0.417055  1
  C  C205  1  0.359407  0.592401  0.445531  1
  C  C206  1  0.751845  0.598192  0.434252  1
  C  C207  1  0.145013  0.603156  0.422716  1
  C  C208  1  0.359407  0.092401  0.445531  1
  C  C209  1  0.751845  0.098192  0.434252  1
  C  C210  1  0.145013  0.103156  0.422716  1
  C  C211  1  0.533709  0.472854  0.433680  1
  C  C212  1  0.927541  0.478323  0.422157  1
  C  C213  1  0.141667  0.467964  0.445032  1
  C  C214  1  0.533709  0.972854  0.433680  1
  C  C215  1  0.927541  0.978323  0.422157  1
  C  C216  1  0.141667  0.967964  0.445032  1
  C  C217  1  0.447723  0.349961  0.428623  1
  C  C218  1  0.841468  0.354674  0.417735  1
  C  C219  1  0.055444  0.344790  0.440387  1
  C  C220  1  0.447723  0.849961  0.428623  1
  C  C221  1  0.841468  0.854674  0.417735  1
  C  C222  1  0.055444  0.844790  0.440387  1
  C  C223  1  0.576460  0.716973  0.446503  1
  C  C224  1  0.969448  0.721975  0.435217  1
  C  C225  1  0.362805  0.727034  0.423857  1
  C  C226  1  0.576460  0.216973  0.446503  1
  C  C227  1  0.969448  0.221975  0.435217  1
  C  C228  1  0.362805  0.227034  0.423857  1
  C  C229  1  0.481732  0.760201  0.422011  1
  C  C230  1  0.695657  0.749728  0.444998  1
  C  C231  1  0.088562  0.754898  0.433857  1
  C  C232  1  0.481732  0.260201  0.422011  1
  C  C233  1  0.695657  0.249728  0.444998  1
  C  C234  1  0.088562  0.254898  0.433857  1
  C  C235  1  0.566842  0.382813  0.427225  1
  C  C236  1  0.960104  0.388333  0.416037  1
  C  C237  1  0.174455  0.377844  0.438940  1
  C  C238  1  0.566842  0.882813  0.427225  1
  C  C239  1  0.960104  0.888333  0.416037  1
  C  C240  1  0.174455  0.877844  0.438940  1
  C  C241  1  0.214031  0.486555  0.473934  1
  C  C242  1  0.606301  0.491833  0.462524  1
  C  C243  1  -0.000375  0.497135  0.451027  1
  C  C244  1  0.214031  0.986555  0.473934  1
  C  C245  1  0.606301  0.991833  0.462524  1
  C  C246  1  -0.000375  0.997135  0.451027  1
  C  C247  1  0.431528  0.610974  0.474524  1
  C  C248  1  0.824335  0.616475  0.463148  1
  C  C249  1  0.217449  0.621568  0.451639  1
  C  C250  1  0.431528  0.110974  0.474524  1
  C  C251  1  0.824335  0.116475  0.463148  1
  C  C252  1  0.217449  0.121568  0.451639  1
  C  C253  1  0.181102  0.576628  0.480022  1
  C  C254  1  0.573524  0.581933  0.468540  1
  C  C255  1  0.966400  0.587229  0.457108  1
  C  C256  1  0.181102  0.076628  0.480022  1
  C  C257  1  0.573524  0.081933  0.468540  1
  C  C258  1  0.966400  0.087229  0.457108  1
  C  C259  1  0.355979  0.457220  0.467866  1
  C  C260  1  0.748423  0.462352  0.456780  1
  C  C261  1  0.963258  0.451999  0.479394  1
  C  C262  1  0.355979  0.957220  0.467866  1
  C  C263  1  0.748423  0.962352  0.456780  1
  C  C264  1  0.963258  0.951999  0.479394  1
  C  C265  1  0.270137  0.334200  0.463217  1
  C  C266  1  0.662202  0.339517  0.451639  1
  C  C267  1  0.877266  0.328953  0.474675  1
  C  C268  1  0.270137  0.834200  0.463217  1
  C  C269  1  0.662202  0.839517  0.451639  1
  C  C270  1  0.877266  0.828953  0.474675  1
  C  C271  1  0.398625  0.700969  0.481041  1
  C  C272  1  0.790898  0.706538  0.469462  1
  C  C273  1  0.184253  0.711562  0.458182  1
  C  C274  1  0.398625  0.200969  0.481041  1
  C  C275  1  0.790898  0.206538  0.469462  1
  C  C276  1  0.184253  0.211562  0.458182  1
  C  C277  1  0.303365  0.744340  0.456695  1
  C  C278  1  0.517568  0.733962  0.479345  1
  C  C279  1  0.910261  0.739126  0.468007  1
  C  C280  1  0.303365  0.244340  0.456695  1
  C  C281  1  0.517568  0.233962  0.479345  1
  C  C282  1  0.910261  0.239126  0.468007  1
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  C  C576  1  0.926836  0.764952  0.679629  1
  C  C577  1  0.961708  0.368596  0.715484  1
  C  C578  1  0.353449  0.386286  0.701615  1
  C  C579  1  0.751259  0.391636  0.689279  1
  C  C580  1  0.961708  0.868596  0.715484  1
  C  C581  1  0.353449  0.886286  0.701615  1
  C  C582  1  0.751259  0.891636  0.689279  1
  C  C583  1  0.178026  0.501347  0.718978  1
  C  C584  1  0.574930  0.510434  0.702183  1
  C  C585  1  0.965672  0.515646  0.691726  1
  C  C586  1  0.178026  0.001347  0.718978  1
  C  C587  1  0.574930  0.010434  0.702183  1
  C  C588  1  0.965672  0.015646  0.691726  1
  C  C589  1  0.911457  0.411464  0.745162  1
  C  C590  1  0.308826  0.471058  0.708689  1
  C  C591  1  0.709182  0.476467  0.695985  1
  C  C592  1  0.911457  0.911464  0.745162  1
  C  C593  1  0.308826  0.971058  0.708689  1
  C  C594  1  0.709182  0.976467  0.695985  1
  C  C595  1  0.095136  0.340751  0.708265  1
  C  C596  1  0.489668  0.354777  0.697302  1
  C  C597  1  0.801557  0.271535  0.743788  1
  C  C598  1  0.095136  0.840751  0.708265  1
  C  C599  1  0.489668  0.854777  0.697302  1
  C  C600  1  0.801557  0.771535  0.743788  1
  C  C601  1  0.020149  0.219894  0.702908  1
  C  C602  1  0.416633  0.232587  0.692126  1
  C  C603  1  0.631992  0.218954  0.716755  1
  C  C604  1  0.020149  0.719894  0.702908  1
  C  C605  1  0.416633  0.732587  0.692126  1
  C  C606  1  0.631992  0.718954  0.716755  1
  C  C607  1  0.141847  0.588818  0.727097  1
  C  C608  1  0.551076  0.596430  0.709135  1
  C  C609  1  0.933277  0.600912  0.699122  1
  C  C610  1  0.141847  0.088818  0.727097  1
  C  C611  1  0.551076  0.096430  0.709135  1
  C  C612  1  0.933277  0.100912  0.699122  1
  C  C613  1  0.019654  0.640862  0.715471  1
  C  C614  1  0.250451  0.618169  0.721328  1
  C  C615  1  0.658785  0.634142  0.707647  1
  C  C616  1  0.019654  0.140862  0.715471  1
  C  C617  1  0.250451  0.118169  0.721328  1
  C  C618  1  0.658785  0.134142  0.707647  1
  C  C619  1  0.129448  0.255772  0.700358  1
  C  C620  1  0.508878  0.271330  0.707134  1
  C  C621  1  0.747979  0.246929  0.713896  1
  C  C622  1  0.129448  0.755772  0.700358  1
  C  C623  1  0.508878  0.771330  0.707134  1
  C  C624  1  0.747979  0.746929  0.713896  1
