# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.67301019
_cell_length_b   18.22206731
_cell_length_c   18.37356046
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   67.58908947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C671
_cell_volume   5160.59085957
_cell_formula_units_Z   671
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  0.000142  0.999436  0.203667  1
  C  C2  1  0.000005  0.999787  0.704222  1
  C  C3  1  0.856622  0.142970  0.203670  1
  C  C4  1  0.856958  0.142834  0.704220  1
  C  C5  1  0.713562  0.285968  0.203324  1
  C  C6  1  0.714169  0.285767  0.703639  1
  C  C7  1  0.571152  0.428786  0.203346  1
  C  C8  1  0.571378  0.428513  0.703324  1
  C  C9  1  0.428586  0.571433  0.203359  1
  C  C10  1  0.428530  0.571350  0.703264  1
  C  C11  1  0.285934  0.713982  0.203350  1
  C  C12  1  0.285693  0.714199  0.703330  1
  C  C13  1  0.143096  0.856408  0.203327  1
  C  C14  1  0.142954  0.856985  0.703645  1
  C  C15  1  0.166798  0.999816  0.203431  1
  C  C16  1  0.166878  0.999797  0.703839  1
  C  C17  1  0.024051  0.142967  0.203670  1
  C  C18  1  0.023848  0.142835  0.704219  1
  C  C19  1  0.880823  0.285772  0.203427  1
  C  C20  1  0.880805  0.285868  0.703833  1
  C  C21  1  0.737974  0.428513  0.203403  1
  C  C22  1  0.738024  0.428558  0.703429  1
  C  C23  1  0.595196  0.571417  0.203384  1
  C  C24  1  0.595192  0.571362  0.703304  1
  C  C25  1  0.452394  0.714229  0.203385  1
  C  C26  1  0.452350  0.714205  0.703309  1
  C  C27  1  0.309502  0.857009  0.203406  1
  C  C28  1  0.309552  0.857032  0.703438  1
  C  C29  1  0.333311  -0.000055  0.203410  1
  C  C30  1  0.333360  0.999875  0.703442  1
  C  C31  1  0.190842  0.143062  0.203326  1
  C  C32  1  0.190579  0.142714  0.703641  1
  C  C33  1  0.047959  0.285937  0.203321  1
  C  C34  1  0.047528  0.285769  0.703635  1
  C  C35  1  0.904721  0.428465  0.203401  1
  C  C36  1  0.904679  0.428557  0.703426  1
  C  C37  1  0.761833  0.571313  0.203381  1
  C  C38  1  0.761845  0.571368  0.703327  1
  C  C39  1  0.619003  0.714222  0.203375  1
  C  C40  1  0.619001  0.714207  0.703311  1
  C  C41  1  0.476136  0.857079  0.203382  1
  C  C42  1  0.476164  0.857048  0.703343  1
  C  C43  1  0.499974  0.999885  0.203400  1
  C  C44  1  0.499963  0.999893  0.703342  1
  C  C45  1  0.357307  0.142767  0.203352  1
  C  C46  1  0.357120  0.142752  0.703341  1
  C  C47  1  0.214490  0.285866  0.203270  1
  C  C48  1  0.214240  0.285632  0.703337  1
  C  C49  1  0.071392  0.428701  0.203337  1
  C  C50  1  0.071369  0.428516  0.703318  1
  C  C51  1  0.928433  0.571269  0.203378  1
  C  C52  1  0.928507  0.571360  0.703303  1
  C  C53  1  0.785623  0.714152  0.203385  1
  C  C54  1  0.785650  0.714206  0.703323  1
  C  C55  1  0.642825  0.857060  0.203382  1
  C  C56  1  0.642801  0.857047  0.703346  1
  C  C57  1  0.666585  -0.000068  0.203411  1
  C  C58  1  0.666581  0.999873  0.703445  1
  C  C59  1  0.523575  0.142770  0.203353  1
  C  C60  1  0.523756  0.142751  0.703342  1
  C  C61  1  0.380879  0.285743  0.203310  1
  C  C62  1  0.380902  0.285634  0.703257  1
  C  C63  1  0.238075  0.428632  0.203311  1
  C  C64  1  0.238050  0.428480  0.703236  1
  C  C65  1  0.095167  0.571269  0.203334  1
  C  C66  1  0.095189  0.571359  0.703260  1
  C  C67  1  0.952270  0.713901  0.203356  1
  C  C68  1  0.952306  0.714199  0.703343  1
  C  C69  1  0.809511  0.856965  0.203406  1
  C  C70  1  0.809425  0.857029  0.703445  1
  C  C71  1  0.833187  0.999800  0.203431  1
  C  C72  1  0.833127  0.999794  0.703842  1
  C  C73  1  0.689774  0.143067  0.203328  1
  C  C74  1  0.690330  0.142712  0.703644  1
  C  C75  1  0.547135  0.285893  0.203275  1
  C  C76  1  0.547569  0.285631  0.703341  1
  C  C77  1  0.404622  0.428672  0.203318  1
  C  C78  1  0.404715  0.428478  0.703239  1
  C  C79  1  0.261961  0.571290  0.203324  1
  C  C80  1  0.261849  0.571346  0.703243  1
  C  C81  1  0.119181  0.713752  0.203282  1
  C  C82  1  0.118995  0.714209  0.703348  1
  C  C83  1  0.976393  0.856379  0.203327  1
  C  C84  1  0.976059  0.856982  0.703648  1
  C  C85  1  0.960271  0.095150  0.829074  1
  C  C86  1  0.817070  0.238032  0.328334  1
  C  C87  1  0.817328  0.238153  0.828789  1
  C  C88  1  0.674256  0.381135  0.328396  1
  C  C89  1  0.674509  0.380977  0.828373  1
  C  C90  1  0.531663  0.523891  0.328416  1
  C  C91  1  0.531694  0.523763  0.828210  1
  C  C92  1  0.389000  0.666561  0.328417  1
  C  C93  1  0.388880  0.666579  0.828215  1
  C  C94  1  0.246246  0.809159  0.328395  1
  C  C95  1  0.246100  0.809389  0.828383  1
  C  C96  1  0.103124  0.951984  0.328330  1
  C  C97  1  0.103280  0.952204  0.828797  1
  C  C98  1  0.127013  0.095401  0.328334  1
  C  C99  1  0.127095  0.095101  0.828792  1
  C  C100  1  0.984381  0.238031  0.328334  1
  C  C101  1  0.984043  0.238155  0.828787  1
  C  C102  1  0.841247  0.380737  0.328289  1
  C  C103  1  0.841150  0.381032  0.828518  1
  C  C104  1  0.698363  0.523712  0.328350  1
  C  C105  1  0.698334  0.523799  0.828308  1
  C  C106  1  0.555535  0.666622  0.328360  1
  C  C107  1  0.555520  0.666595  0.828256  1
  C  C108  1  0.412650  0.809472  0.328346  1
  C  C109  1  0.412728  0.809405  0.828322  1
  C  C110  1  0.269676  0.952349  0.328285  1
  C  C111  1  0.269970  0.952211  0.828534  1
  C  C112  1  0.293876  0.095175  0.328405  1
  C  C113  1  0.293712  0.095095  0.828383  1
  C  C114  1  0.151098  0.238287  0.328303  1
  C  C115  1  0.150775  0.238036  0.828413  1
  C  C116  1  0.007954  0.381106  0.328398  1
  C  C117  1  0.007844  0.380979  0.828365  1
  C  C118  1  0.864980  0.523657  0.328363  1
  C  C119  1  0.864988  0.523796  0.828299  1
  C  C120  1  0.722150  0.666559  0.328347  1
  C  C121  1  0.722151  0.666599  0.828277  1
  C  C122  1  0.579318  0.809457  0.328337  1
  C  C123  1  0.579329  0.809414  0.828299  1
  C  C124  1  0.436446  0.952295  0.328349  1
  C  C125  1  0.436528  0.952243  0.828336  1
  C  C126  1  0.460313  0.095070  0.328439  1
  C  C127  1  0.460288  0.095113  0.828250  1
  C  C128  1  0.317571  0.238069  0.328437  1
  C  C129  1  0.317426  0.238008  0.828197  1
  C  C130  1  0.174618  0.381075  0.328422  1
  C  C131  1  0.174552  0.380890  0.828185  1
  C  C132  1  0.031626  0.523805  0.328425  1
  C  C133  1  0.031677  0.523767  0.828197  1
  C  C134  1  0.888733  0.666453  0.328398  1
  C  C135  1  0.888802  0.666587  0.828251  1
  C  C136  1  0.745986  0.809421  0.328338  1
  C  C137  1  0.745937  0.809403  0.828335  1
  C  C138  1  0.603159  0.952281  0.328348  1
  C  C139  1  0.603107  0.952240  0.828339  1
  C  C140  1  0.626660  0.095164  0.328406  1
  C  C141  1  0.626879  0.095091  0.828385  1
  C  C142  1  0.483896  0.238070  0.328439  1
  C  C143  1  0.484071  0.238007  0.828199  1
  C  C144  1  0.341202  0.380981  0.328413  1
  C  C145  1  0.341221  0.380875  0.828135  1
  C  C146  1  0.198383  0.523760  0.328416  1
  C  C147  1  0.198364  0.523736  0.828140  1
  C  C148  1  0.055490  0.666377  0.328426  1
  C  C149  1  0.055493  0.666589  0.828213  1
  C  C150  1  0.912637  0.809106  0.328387  1
  C  C151  1  0.912578  0.809387  0.828396  1
  C  C152  1  0.769880  0.952318  0.328282  1
  C  C153  1  0.769692  0.952206  0.828540  1
  C  C154  1  0.793320  0.095388  0.328334  1
  C  C155  1  0.793492  0.095096  0.828795  1
  C  C156  1  0.650166  0.238289  0.328305  1
  C  C157  1  0.650699  0.238033  0.828417  1
  C  C158  1  0.507675  0.381097  0.328426  1
  C  C159  1  0.507879  0.380888  0.828191  1
  C  C160  1  0.365064  0.523797  0.328421  1
  C  C161  1  0.365034  0.523733  0.828145  1
  C  C162  1  0.222361  0.666391  0.328427  1
  C  C163  1  0.222190  0.666580  0.828200  1
  C  C164  1  0.079548  0.808876  0.328298  1
  C  C165  1  0.079334  0.809400  0.828429  1
  C  C166  1  0.936719  0.951963  0.328329  1
  C  C167  1  0.936386  0.952200  0.828801  1
  C  C168  1  0.004717  0.988455  0.292943  1
  C  C169  1  -0.000031  0.999871  0.797149  1
  C  C170  1  0.844725  0.148470  0.292946  1
  C  C171  1  0.857053  0.142790  0.797146  1
  C  C172  1  0.712168  0.286843  0.295977  1
  C  C173  1  0.714212  0.285696  0.796601  1
  C  C174  1  0.570879  0.428866  0.296250  1
  C  C175  1  0.571360  0.428534  0.796266  1
  C  C176  1  0.428523  0.571375  0.296293  1
  C  C177  1  0.428531  0.571355  0.796199  1
  C  C178  1  0.285998  0.713734  0.296254  1
  C  C179  1  0.285712  0.714182  0.796273  1
  C  C180  1  0.143894  0.855094  0.295979  1
  C  C181  1  0.142880  0.857027  0.796608  1
  C  C182  1  0.167414  0.999535  0.295937  1
  C  C183  1  0.166745  0.999855  0.796804  1
  C  C184  1  0.031369  0.148470  0.292945  1
  C  C185  1  0.023787  0.142792  0.797145  1
  C  C186  1  0.880593  0.286346  0.295934  1
  C  C187  1  0.880855  0.285746  0.796797  1
  C  C188  1  0.737914  0.428707  0.296266  1
  C  C189  1  0.738016  0.428580  0.796385  1
  C  C190  1  0.595182  0.571450  0.296306  1
  C  C191  1  0.595186  0.571382  0.796246  1
  C  C192  1  0.452433  0.714210  0.296307  1
  C  C193  1  0.452372  0.714196  0.796251  1
  C  C194  1  0.309718  0.856924  0.296268  1
  C  C195  1  0.309576  0.857020  0.796395  1
  C  C196  1  0.333516  0.999826  0.296271  1
  C  C197  1  0.333378  0.999856  0.796399  1
  C  C198  1  0.191923  0.143522  0.295979  1
  C  C199  1  0.190493  0.142741  0.796603  1
  C  C200  1  0.048628  0.286820  0.295974  1
  C  C201  1  0.047542  0.285697  0.796597  1
  C  C202  1  0.904644  0.428655  0.296265  1
  C  C203  1  0.904664  0.428576  0.796382  1
  C  C204  1  0.761805  0.571382  0.296301  1
  C  C205  1  0.761828  0.571390  0.796273  1
  C  C206  1  0.619006  0.714228  0.296303  1
  C  C207  1  0.619000  0.714203  0.796254  1
  C  C208  1  0.476208  0.857032  0.296300  1
  C  C209  1  0.476188  0.857026  0.796290  1
  C  C210  1  0.499993  0.999842  0.296310  1
  C  C211  1  0.499973  0.999870  0.796289  1
  C  C212  1  0.357395  0.142954  0.296253  1
  C  C213  1  0.357128  0.142754  0.796284  1
  C  C214  1  0.214691  0.286045  0.296181  1
  C  C215  1  0.214239  0.285639  0.796281  1
  C  C216  1  0.071600  0.428789  0.296242  1
  C  C217  1  0.071366  0.428534  0.796259  1
  C  C218  1  0.928469  0.571269  0.296301  1
  C  C219  1  0.928494  0.571370  0.796244  1
  C  C220  1  0.785589  0.714152  0.296305  1
  C  C221  1  0.785633  0.714197  0.796267  1
  C  C222  1  0.642795  0.857015  0.296300  1
  C  C223  1  0.642795  0.857025  0.796294  1
  C  C224  1  0.666480  0.999812  0.296271  1
  C  C225  1  0.666581  0.999853  0.796402  1
  C  C226  1  0.523328  0.142954  0.296254  1
  C  C227  1  0.523749  0.142753  0.796286  1
  C  C228  1  0.380826  0.285851  0.296245  1
  C  C229  1  0.380905  0.285634  0.796192  1
  C  C230  1  0.238135  0.428631  0.296249  1
  C  C231  1  0.238046  0.428500  0.796168  1
  C  C232  1  0.095278  0.571201  0.296269  1
  C  C233  1  0.095184  0.571361  0.796195  1
  C  C234  1  0.952391  0.713677  0.296257  1
  C  C235  1  0.952302  0.714183  0.796287  1
  C  C236  1  0.809361  0.856887  0.296268  1
  C  C237  1  0.809411  0.857016  0.796403  1
  C  C238  1  0.832806  0.999519  0.295937  1
  C  C239  1  0.833212  0.999851  0.796807  1
  C  C240  1  0.688313  0.143521  0.295981  1
  C  C241  1  0.690393  0.142738  0.796606  1
  C  C242  1  0.546780  0.286063  0.296185  1
  C  C243  1  0.547566  0.285639  0.796285  1
  C  C244  1  0.404538  0.428664  0.296256  1
  C  C245  1  0.404712  0.428500  0.796172  1
  C  C246  1  0.261967  0.571199  0.296263  1
  C  C247  1  0.261862  0.571350  0.796176  1
  C  C248  1  0.119324  0.713432  0.296192  1
  C  C249  1  0.119003  0.714200  0.796294  1
  C  C250  1  0.976686  0.855070  0.295979  1
  C  C251  1  0.976098  0.857024  0.796612  1
  C  C252  1  0.064251  0.047135  0.171182  1
  C  C253  1  0.063528  0.047494  0.672600  1
  C  C254  1  0.920274  0.191118  0.171176  1
  C  C255  1  0.920556  0.190467  0.672599  1
  C  C256  1  0.777307  0.333531  0.171305  1
  C  C257  1  0.777687  0.333335  0.671639  1
  C  C258  1  0.634752  0.476280  0.171295  1
  C  C259  1  0.634864  0.476142  0.671364  1
  C  C260  1  0.492060  0.619025  0.171290  1
  C  C261  1  0.492025  0.618975  0.671315  1
  C  C262  1  0.349313  0.761708  0.171305  1
  C  C263  1  0.349194  0.761812  0.671370  1
  C  C264  1  0.206562  0.904263  0.171317  1
  C  C265  1  0.206392  0.904630  0.671644  1
  C  C266  1  0.230443  0.047647  0.171315  1
  C  C267  1  0.230204  0.047497  0.671644  1
  C  C268  1  0.088431  0.191273  0.170701  1
  C  C269  1  0.087329  0.190449  0.672164  1
  C  C270  1  0.944574  0.333491  0.171298  1
  C  C271  1  0.944369  0.333332  0.671638  1
  C  C272  1  0.801490  0.476169  0.171343  1
  C  C273  1  0.801519  0.476154  0.671394  1
  C  C274  1  0.658677  0.619018  0.171327  1
  C  C275  1  0.658679  0.618983  0.671327  1
  C  C276  1  0.515871  0.761838  0.171333  1
  C  C277  1  0.515841  0.761820  0.671332  1
  C  C278  1  0.373054  0.904639  0.171361  1
  C  C279  1  0.373017  0.904654  0.671404  1
  C  C280  1  0.396896  0.047529  0.171311  1
  C  C281  1  0.396809  0.047509  0.671383  1
  C  C282  1  0.254429  0.190747  0.171084  1
  C  C283  1  0.253962  0.190392  0.671460  1
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  C  C628  1  0.539659  0.904639  0.078353  1
  C  C629  1  0.539645  0.904665  0.578309  1
  C  C630  1  0.563416  0.047493  0.078343  1
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  C  C632  1  0.420574  0.190443  0.078155  1
  C  C633  1  0.420599  0.190367  0.578305  1
  C  C634  1  0.277768  0.333353  0.078054  1
  C  C635  1  0.277711  0.333215  0.578258  1
  C  C636  1  0.134896  0.476153  0.078119  1
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  C  C638  1  0.991986  0.618867  0.078217  1
  C  C639  1  0.991987  0.618982  0.578295  1
  C  C640  1  0.849103  0.761742  0.078342  1
  C  C641  1  0.849124  0.761865  0.578329  1
  C  C642  1  0.706272  0.904626  0.078406  1
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  C  C644  1  0.730009  0.047510  0.078492  1
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  C  C648  1  0.444289  0.333369  0.078065  1
  C  C649  1  0.444447  0.333210  0.578262  1
  C  C650  1  0.301544  0.476151  0.078083  1
  C  C651  1  0.301538  0.476105  0.578246  1
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  C  C658  1  0.896734  0.047477  0.078800  1
  C  C659  1  0.896729  0.047494  0.579369  1
  C  C660  1  0.753647  0.190524  0.078348  1
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  C  C662  1  0.610841  0.333443  0.078143  1
  C  C663  1  0.611082  0.333243  0.578375  1
  C  C664  1  0.468139  0.476215  0.078159  1
  C  C665  1  0.468222  0.476100  0.578281  1
  C  C666  1  0.325427  0.618912  0.078170  1
  C  C667  1  0.325343  0.618985  0.578285  1
  C  C668  1  0.182653  0.761592  0.078163  1
  C  C669  1  0.182487  0.761846  0.578381  1
  C  C670  1  0.039745  0.904391  0.078359  1
  C  C671  1  0.039747  0.904399  0.578922  1
