# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.32791770
_cell_length_b   12.14697407
_cell_length_c   47.96453227
_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   C624
_cell_volume   10678.2834307
_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  0.043835  0.725660  0.303181  1
  C  C2  1  0.041616  0.512877  0.278645  1
  C  C3  1  0.043611  0.119133  0.291466  1
  C  C4  1  0.705063  0.593794  0.307867  1
  C  C5  1  0.704695  0.382665  0.284091  1
  C  C6  1  0.704686  0.988388  0.296029  1
  C  C7  1  0.201009  0.467086  0.308815  1
  C  C8  1  0.204695  0.260913  0.287874  1
  C  C9  1  0.204634  0.865582  0.299362  1
  C  C10  1  0.793339  0.593794  0.307867  1
  C  C11  1  0.793707  0.382665  0.284091  1
  C  C12  1  0.793716  0.988388  0.296029  1
  C  C13  1  0.922543  0.467375  0.307522  1
  C  C14  1  0.919253  0.250467  0.287831  1
  C  C15  1  0.918993  0.857611  0.299338  1
  C  C16  1  0.672043  0.466392  0.308956  1
  C  C17  1  0.667980  0.261260  0.288009  1
  C  C18  1  0.668161  0.866545  0.299687  1
  C  C19  1  0.575859  0.467375  0.307522  1
  C  C20  1  0.579149  0.250467  0.287831  1
  C  C21  1  0.579409  0.857611  0.299338  1
  C  C22  1  0.330956  0.592920  0.307662  1
  C  C23  1  0.330761  0.382340  0.284049  1
  C  C24  1  0.330442  0.987376  0.295897  1
  C  C25  1  0.297393  0.467086  0.308815  1
  C  C26  1  0.293707  0.260913  0.287874  1
  C  C27  1  0.293768  0.865582  0.299362  1
  C  C28  1  0.542817  0.735965  0.303223  1
  C  C29  1  0.541513  0.507803  0.279156  1
  C  C30  1  0.543572  0.127860  0.291242  1
  C  C31  1  0.955585  0.735965  0.303223  1
  C  C32  1  0.956889  0.507803  0.279156  1
  C  C33  1  0.954830  0.127860  0.291242  1
  C  C34  1  0.826359  0.466392  0.308956  1
  C  C35  1  0.830422  0.261260  0.288009  1
  C  C36  1  0.830241  0.866545  0.299687  1
  C  C37  1  0.167446  0.592920  0.307662  1
  C  C38  1  0.167640  0.382340  0.284049  1
  C  C39  1  0.167960  0.987376  0.295897  1
  C  C40  1  0.454567  0.725660  0.303181  1
  C  C41  1  0.456786  0.512877  0.278645  1
  C  C42  1  0.454791  0.119133  0.291466  1
  C  C43  1  0.420630  0.598900  0.304269  1
  C  C44  1  0.419003  0.390715  0.283503  1
  C  C45  1  0.419192  0.996746  0.295114  1
  C  C46  1  0.077772  0.598900  0.304269  1
  C  C47  1  0.079399  0.390715  0.283503  1
  C  C48  1  0.079210  0.996746  0.295114  1
  C  C49  1  0.045309  0.543330  0.336427  1
  C  C50  1  0.046002  0.333806  0.312502  1
  C  C51  1  0.046066  0.939729  0.324291  1
  C  C52  1  0.702758  0.412394  0.340337  1
  C  C53  1  0.702272  0.203067  0.316842  1
  C  C54  1  0.702359  0.808032  0.328505  1
  C  C55  1  0.202560  0.282283  0.343924  1
  C  C56  1  0.202276  0.070275  0.320566  1
  C  C57  1  0.201561  0.674276  0.331867  1
  C  C58  1  0.795644  0.412394  0.340337  1
  C  C59  1  0.796130  0.203067  0.316842  1
  C  C60  1  0.796043  0.808032  0.328505  1
  C  C61  1  0.921138  0.281596  0.343767  1
  C  C62  1  0.921311  0.071599  0.320470  1
  C  C63  1  0.921967  0.675653  0.332109  1
  C  C64  1  0.670572  0.282087  0.344084  1
  C  C65  1  0.670879  0.070881  0.320854  1
  C  C66  1  0.670461  0.675572  0.332360  1
  C  C67  1  0.577264  0.281596  0.343767  1
  C  C68  1  0.577091  0.071599  0.320470  1
  C  C69  1  0.576435  0.675653  0.332109  1
  C  C70  1  0.328084  0.412449  0.340222  1
  C  C71  1  0.327598  0.202539  0.316744  1
  C  C72  1  0.327352  0.807596  0.328280  1
  C  C73  1  0.295842  0.282283  0.343924  1
  C  C74  1  0.296126  0.070275  0.320566  1
  C  C75  1  0.296841  0.674276  0.331867  1
  C  C76  1  0.544671  0.545002  0.336201  1
  C  C77  1  0.545553  0.331750  0.312808  1
  C  C78  1  0.545930  0.939148  0.324464  1
  C  C79  1  0.953731  0.545002  0.336201  1
  C  C80  1  0.952849  0.331750  0.312808  1
  C  C81  1  0.952472  0.939148  0.324464  1
  C  C82  1  0.827830  0.282087  0.344084  1
  C  C83  1  0.827523  0.070881  0.320854  1
  C  C84  1  0.827941  0.675572  0.332360  1
  C  C85  1  0.170318  0.412449  0.340222  1
  C  C86  1  0.170804  0.202539  0.316744  1
  C  C87  1  0.171050  0.807596  0.328280  1
  C  C88  1  0.453093  0.543330  0.336427  1
  C  C89  1  0.452400  0.333806  0.312502  1
  C  C90  1  0.452336  0.939729  0.324291  1
  C  C91  1  0.420969  0.413646  0.340000  1
  C  C92  1  0.421228  0.201126  0.316495  1
  C  C93  1  0.421237  0.806535  0.328076  1
  C  C94  1  0.077433  0.413646  0.340000  1
  C  C95  1  0.077174  0.201126  0.316495  1
  C  C96  1  0.077165  0.806535  0.328076  1
  C  C97  1  0.045757  0.360222  0.370596  1
  C  C98  1  0.045755  0.149562  0.347649  1
  C  C99  1  0.045592  0.754746  0.359284  1
  C  C100  1  0.702519  0.228844  0.374613  1
  C  C101  1  0.702680  0.018048  0.351894  1
  C  C102  1  0.702743  0.623195  0.363418  1
  C  C103  1  0.202489  0.097261  0.378233  1
  C  C104  1  0.202607  0.886827  0.355423  1
  C  C105  1  0.202316  0.491829  0.366740  1
  C  C106  1  0.795883  0.228844  0.374613  1
  C  C107  1  0.795722  0.018048  0.351894  1
  C  C108  1  0.795659  0.623195  0.363418  1
  C  C109  1  0.920994  0.097408  0.378320  1
  C  C110  1  0.920839  0.886526  0.355551  1
  C  C111  1  0.921083  0.492207  0.366555  1
  C  C112  1  0.670752  0.097332  0.378502  1
  C  C113  1  0.670571  0.887052  0.355683  1
  C  C114  1  0.670753  0.491864  0.366892  1
  C  C115  1  0.577408  0.097408  0.378320  1
  C  C116  1  0.577563  0.886526  0.355551  1
  C  C117  1  0.577319  0.492207  0.366555  1
  C  C118  1  0.327723  0.228783  0.374430  1
  C  C119  1  0.327826  0.017868  0.351633  1
  C  C120  1  0.328015  0.622907  0.363134  1
  C  C121  1  0.295913  0.097261  0.378233  1
  C  C122  1  0.295795  0.886827  0.355423  1
  C  C123  1  0.296086  0.491829  0.366740  1
  C  C124  1  0.545878  0.360663  0.370609  1
  C  C125  1  0.545647  0.150158  0.347753  1
  C  C126  1  0.545669  0.755516  0.359367  1
  C  C127  1  0.952524  0.360663  0.370609  1
  C  C128  1  0.952755  0.150158  0.347753  1
  C  C129  1  0.952733  0.755516  0.359367  1
  C  C130  1  0.827650  0.097332  0.378502  1
  C  C131  1  0.827831  0.887052  0.355683  1
  C  C132  1  0.827649  0.491864  0.366892  1
  C  C133  1  0.170678  0.228783  0.374430  1
  C  C134  1  0.170576  0.017868  0.351633  1
  C  C135  1  0.170387  0.622907  0.363134  1
  C  C136  1  0.452645  0.360222  0.370596  1
  C  C137  1  0.452647  0.149562  0.347649  1
  C  C138  1  0.452810  0.754746  0.359284  1
  C  C139  1  0.421034  0.228700  0.374384  1
  C  C140  1  0.420870  0.018390  0.351531  1
  C  C141  1  0.421311  0.622946  0.362846  1
  C  C142  1  0.077368  0.228700  0.374384  1
  C  C143  1  0.077531  0.018390  0.351531  1
  C  C144  1  0.077091  0.622946  0.362846  1
  C  C145  1  0.045740  0.176054  0.405137  1
  C  C146  1  0.045827  0.965530  0.382119  1
  C  C147  1  0.045550  0.570515  0.393741  1
  C  C148  1  0.702577  0.044459  0.409221  1
  C  C149  1  0.702529  0.833969  0.386217  1
  C  C150  1  0.702583  0.439129  0.397652  1
  C  C151  1  0.202555  0.913107  0.412741  1
  C  C152  1  0.202433  0.702145  0.389661  1
  C  C153  1  0.202538  0.307905  0.401259  1
  C  C154  1  0.795825  0.044459  0.409221  1
  C  C155  1  0.795873  0.833969  0.386217  1
  C  C156  1  0.795819  0.439129  0.397652  1
  C  C157  1  0.920841  0.912916  0.412954  1
  C  C158  1  0.920957  0.702254  0.389924  1
  C  C159  1  0.920883  0.307809  0.401333  1
  C  C160  1  0.670770  0.913081  0.413060  1
  C  C161  1  0.670781  0.702343  0.390031  1
  C  C162  1  0.670743  0.307832  0.401478  1
  C  C163  1  0.577561  0.912916  0.412954  1
  C  C164  1  0.577445  0.702254  0.389924  1
  C  C165  1  0.577519  0.307809  0.401333  1
  C  C166  1  0.327743  0.044450  0.408939  1
  C  C167  1  0.327691  0.833811  0.385944  1
  C  C168  1  0.327809  0.439167  0.397504  1
  C  C169  1  0.295847  0.913107  0.412741  1
  C  C170  1  0.295969  0.702145  0.389661  1
  C  C171  1  0.295864  0.307905  0.401259  1
  C  C172  1  0.545905  0.176393  0.405214  1
  C  C173  1  0.545908  0.965715  0.382213  1
  C  C174  1  0.545985  0.570660  0.393647  1
  C  C175  1  0.952497  0.176393  0.405214  1
  C  C176  1  0.952494  0.965715  0.382213  1
  C  C177  1  0.952417  0.570660  0.393647  1
  C  C178  1  0.827632  0.913081  0.413060  1
  C  C179  1  0.827621  0.702343  0.390031  1
  C  C180  1  0.827659  0.307832  0.401478  1
  C  C181  1  0.170659  0.044450  0.408939  1
  C  C182  1  0.170711  0.833811  0.385944  1
  C  C183  1  0.170593  0.439167  0.397504  1
  C  C184  1  0.452662  0.176054  0.405137  1
  C  C185  1  0.452575  0.965530  0.382119  1
  C  C186  1  0.452852  0.570515  0.393741  1
  C  C187  1  0.420974  0.044647  0.408964  1
  C  C188  1  0.421056  0.833780  0.385910  1
  C  C189  1  0.421043  0.439252  0.397489  1
  C  C190  1  0.077428  0.044647  0.408964  1
  C  C191  1  0.077346  0.833780  0.385910  1
  C  C192  1  0.077359  0.439252  0.397489  1
  C  C193  1  0.045717  0.991876  0.439658  1
  C  C194  1  0.045723  0.781272  0.416690  1
  C  C195  1  0.045680  0.386535  0.428192  1
  C  C196  1  0.702563  0.860188  0.443739  1
  C  C197  1  0.702581  0.649561  0.420758  1
  C  C198  1  0.702566  0.254976  0.432166  1
  C  C199  1  0.202538  0.729038  0.447189  1
  C  C200  1  0.202520  0.518523  0.424230  1
  C  C201  1  0.202547  0.123710  0.435693  1
  C  C202  1  0.795839  0.860188  0.443739  1
  C  C203  1  0.795821  0.649561  0.420758  1
  C  C204  1  0.795836  0.254976  0.432166  1
  C  C205  1  0.920824  0.728648  0.447469  1
  C  C206  1  0.920820  0.518144  0.424379  1
  C  C207  1  0.920827  0.123534  0.435912  1
  C  C208  1  0.670817  0.728734  0.447556  1
  C  C209  1  0.670822  0.518100  0.424485  1
  C  C210  1  0.670811  0.123562  0.436025  1
  C  C211  1  0.577578  0.728648  0.447469  1
  C  C212  1  0.577582  0.518144  0.424379  1
  C  C213  1  0.577575  0.123534  0.435912  1
  C  C214  1  0.327738  0.860426  0.443413  1
  C  C215  1  0.327774  0.649834  0.420428  1
  C  C216  1  0.327766  0.255084  0.431913  1
  C  C217  1  0.295864  0.729038  0.447189  1
  C  C218  1  0.295882  0.518523  0.424230  1
  C  C219  1  0.295855  0.123710  0.435693  1
  C  C220  1  0.545969  0.992068  0.439759  1
  C  C221  1  0.545911  0.781484  0.416775  1
  C  C222  1  0.545997  0.386680  0.428215  1
  C  C223  1  0.952433  0.992068  0.439759  1
  C  C224  1  0.952491  0.781484  0.416775  1
  C  C225  1  0.952405  0.386680  0.428215  1
  C  C226  1  0.827585  0.728734  0.447556  1
  C  C227  1  0.827580  0.518100  0.424485  1
  C  C228  1  0.827591  0.123562  0.436025  1
  C  C229  1  0.170664  0.860426  0.443413  1
  C  C230  1  0.170628  0.649834  0.420428  1
  C  C231  1  0.170636  0.255084  0.431913  1
  C  C232  1  0.452685  0.991876  0.439658  1
  C  C233  1  0.452679  0.781272  0.416690  1
  C  C234  1  0.452722  0.386535  0.428192  1
  C  C235  1  0.420997  0.860438  0.443477  1
  C  C236  1  0.421030  0.649811  0.420473  1
  C  C237  1  0.421022  0.255108  0.431962  1
  C  C238  1  0.077405  0.860438  0.443477  1
  C  C239  1  0.077372  0.649811  0.420473  1
  C  C240  1  0.077380  0.255108  0.431962  1
  C  C241  1  0.045703  0.807788  0.474196  1
  C  C242  1  0.045676  0.597159  0.451198  1
  C  C243  1  0.045660  0.202413  0.462673  1
  C  C244  1  0.702564  0.675941  0.478258  1
  C  C245  1  0.702567  0.465395  0.455206  1
  C  C246  1  0.702569  0.070757  0.466736  1
  C  C247  1  0.202538  0.545143  0.481651  1
  C  C248  1  0.202545  0.334430  0.458665  1
  C  C249  1  0.202561  0.939586  0.470203  1
  C  C250  1  0.795838  0.675941  0.478258  1
  C  C251  1  0.795835  0.465395  0.455206  1
  C  C252  1  0.795833  0.070757  0.466736  1
  C  C253  1  0.920788  0.544501  0.481967  1
  C  C254  1  0.920781  0.333974  0.458943  1
  C  C255  1  0.920773  0.939256  0.470471  1
  C  C256  1  0.670843  0.544483  0.482042  1
  C  C257  1  0.670847  0.333964  0.459020  1
  C  C258  1  0.670857  0.939316  0.470569  1
  C  C259  1  0.577614  0.544501  0.481967  1
  C  C260  1  0.577621  0.333974  0.458943  1
  C  C261  1  0.577629  0.939256  0.470471  1
  C  C262  1  0.327774  0.676490  0.477885  1
  C  C263  1  0.327787  0.465783  0.454905  1
  C  C264  1  0.327788  0.070904  0.466362  1
  C  C265  1  0.295864  0.545143  0.481651  1
  C  C266  1  0.295857  0.334430  0.458665  1
  C  C267  1  0.295841  0.939586  0.470203  1
  C  C268  1  0.545974  0.807820  0.474293  1
  C  C269  1  0.545985  0.597164  0.451244  1
  C  C270  1  0.546020  0.202527  0.462768  1
  C  C271  1  0.952428  0.807820  0.474293  1
  C  C272  1  0.952417  0.597164  0.451244  1
  C  C273  1  0.952382  0.202527  0.462768  1
  C  C274  1  0.827559  0.544483  0.482042  1
  C  C275  1  0.827555  0.333964  0.459020  1
  C  C276  1  0.827545  0.939316  0.470569  1
  C  C277  1  0.170628  0.676490  0.477885  1
  C  C278  1  0.170615  0.465783  0.454905  1
  C  C279  1  0.170614  0.070904  0.466362  1
  C  C280  1  0.452699  0.807788  0.474196  1
  C  C281  1  0.452726  0.597159  0.451198  1
  C  C282  1  0.452742  0.202413  0.462673  1
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  C  C575  1  0.077056  0.360950  0.661751  1
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  C  C577  1  0.044726  0.510899  0.714732  1
  C  C578  1  0.048758  0.303422  0.693734  1
  C  C579  1  0.045257  0.906194  0.703275  1
  C  C580  1  0.704537  0.379717  0.718162  1
  C  C581  1  0.680079  0.177268  0.698438  1
  C  C582  1  0.704640  0.774598  0.706414  1
  C  C583  1  0.204476  0.253151  0.724699  1
  C  C584  1  0.204887  0.043815  0.700368  1
  C  C585  1  0.204696  0.652373  0.710217  1
  C  C586  1  0.793865  0.379717  0.718162  1
  C  C587  1  0.818323  0.177268  0.698438  1
  C  C588  1  0.793762  0.774598  0.706414  1
  C  C589  1  0.926152  0.268497  0.726370  1
  C  C590  1  0.922429  0.035509  0.698941  1
  C  C591  1  0.919478  0.643018  0.710823  1
  C  C592  1  0.664451  0.262505  0.723893  1
  C  C593  1  0.664949  0.044930  0.699094  1
  C  C594  1  0.667689  0.653050  0.709959  1
  C  C595  1  0.572250  0.268497  0.726370  1
  C  C596  1  0.575973  0.035509  0.698941  1
  C  C597  1  0.578924  0.643018  0.710823  1
  C  C598  1  0.328996  0.374473  0.717852  1
  C  C599  1  0.341637  0.147768  0.712460  1
  C  C600  1  0.329831  0.774441  0.706508  1
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  C  C602  1  0.293515  0.043815  0.700368  1
  C  C603  1  0.293706  0.652373  0.710217  1
  C  C604  1  0.542449  0.521444  0.714331  1
  C  C605  1  0.542604  0.308796  0.693031  1
  C  C606  1  0.542118  0.912559  0.703102  1
  C  C607  1  0.955953  0.521444  0.714331  1
  C  C608  1  0.955798  0.308796  0.693031  1
  C  C609  1  0.956284  0.912559  0.703102  1
  C  C610  1  0.833951  0.262505  0.723893  1
  C  C611  1  0.833453  0.044930  0.699094  1
  C  C612  1  0.830713  0.653050  0.709959  1
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  C  C616  1  0.453676  0.510899  0.714732  1
  C  C617  1  0.449643  0.303422  0.693734  1
  C  C618  1  0.453145  0.906194  0.703275  1
  C  C619  1  0.417031  0.389669  0.718491  1
  C  C620  1  0.418518  0.175038  0.696860  1
  C  C621  1  0.418602  0.783168  0.706833  1
  C  C622  1  0.081371  0.389669  0.718491  1
  C  C623  1  0.079884  0.175038  0.696860  1
  C  C624  1  0.079800  0.783168  0.706833  1
