# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.42654169
_cell_length_b   22.06780229
_cell_length_c   16.60978519
_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   7853.7157809
_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  0.109899  0.419217  0.858960  1
  C  C2  1  0.110006  0.917197  0.856428  1
  C  C3  1  0.609905  0.419178  0.858888  1
  C  C4  1  0.609996  0.917274  0.856285  1
  C  C5  1  0.061586  0.067698  0.518614  1
  C  C6  1  0.074680  0.579242  0.510293  1
  C  C7  1  0.579744  0.088195  0.510024  1
  C  C8  1  0.574792  0.579348  0.510403  1
  C  C9  1  0.325856  0.397506  0.805835  1
  C  C10  1  0.325971  0.895358  0.803472  1
  C  C11  1  0.825868  0.397508  0.805824  1
  C  C12  1  0.825958  0.895453  0.803300  1
  C  C13  1  0.080585  0.398238  0.031087  1
  C  C14  1  0.080693  0.896733  0.028673  1
  C  C15  1  0.580595  0.398235  0.031034  1
  C  C16  1  0.580692  0.896784  0.028535  1
  C  C17  1  0.186588  0.139850  0.841745  1
  C  C18  1  0.186490  0.641895  0.845367  1
  C  C19  1  0.686584  0.139929  0.841743  1
  C  C20  1  0.686474  0.641877  0.845309  1
  C  C21  1  0.387026  0.419185  0.858914  1
  C  C22  1  0.387136  0.917196  0.856445  1
  C  C23  1  0.887035  0.419198  0.858902  1
  C  C24  1  0.887127  0.917270  0.856280  1
  C  C25  1  0.416441  0.085802  0.921130  1
  C  C26  1  0.416344  0.587596  0.924452  1
  C  C27  1  0.916435  0.085837  0.921082  1
  C  C28  1  0.916330  0.587622  0.924416  1
  C  C29  1  0.171057  0.334506  0.941262  1
  C  C30  1  0.171172  0.832746  0.939187  1
  C  C31  1  0.671076  0.334502  0.941227  1
  C  C32  1  0.671163  0.832814  0.939004  1
  C  C33  1  0.286874  0.138291  0.094611  1
  C  C34  1  0.286786  0.639599  0.098207  1
  C  C35  1  0.786880  0.138297  0.094600  1
  C  C36  1  0.786762  0.639616  0.098157  1
  C  C37  1  0.387126  0.065337  0.093376  1
  C  C38  1  0.387037  0.566643  0.096594  1
  C  C39  1  0.887132  0.065346  0.093328  1
  C  C40  1  0.887020  0.566669  0.096556  1
  C  C41  1  0.425557  0.084620  0.510853  1
  C  C42  1  0.419998  0.579297  0.510449  1
  C  C43  1  0.915293  0.089178  0.514178  1
  C  C44  1  0.919880  0.579300  0.510257  1
  C  C45  1  0.179386  0.133008  0.395432  1
  C  C46  1  0.165188  0.643732  0.421494  1
  C  C47  1  0.667349  0.155268  0.420623  1
  C  C48  1  0.665224  0.643866  0.421506  1
  C  C49  1  0.416580  0.402238  0.442417  1
  C  C50  1  0.419882  0.896703  0.442086  1
  C  C51  1  0.924522  0.404639  0.437909  1
  C  C52  1  0.919999  0.896744  0.442147  1
  C  C53  1  0.109998  0.065333  0.093352  1
  C  C54  1  0.109907  0.566658  0.096606  1
  C  C55  1  0.610001  0.065351  0.093332  1
  C  C56  1  0.609892  0.566657  0.096558  1
  C  C57  1  0.310452  0.470387  0.213979  1
  C  C58  1  0.310542  0.969411  0.211233  1
  C  C59  1  0.810442  0.470411  0.213949  1
  C  C60  1  0.810547  0.969387  0.211134  1
  C  C61  1  0.994306  0.113083  0.293671  1
  C  C62  1  0.997326  0.609676  0.288710  1
  C  C63  1  0.501170  0.117240  0.288220  1
  C  C64  1  0.497346  0.609630  0.288842  1
  C  C65  1  0.455211  0.420172  0.524150  1
  C  C66  1  0.458821  0.913772  0.523924  1
  C  C67  1  0.963512  0.421928  0.519621  1
  C  C68  1  0.958918  0.913738  0.524029  1
  C  C69  1  0.123990  0.386739  0.111674  1
  C  C70  1  0.124090  0.885465  0.109326  1
  C  C71  1  0.623997  0.386742  0.111625  1
  C  C72  1  0.624094  0.885483  0.109174  1
  C  C73  1  0.135866  0.624665  0.508979  1
  C  C74  1  0.639592  0.135253  0.508567  1
  C  C75  1  0.635944  0.624813  0.509020  1
  C  C76  1  0.036683  0.456779  0.055469  1
  C  C77  1  0.036784  0.955339  0.052755  1
  C  C78  1  0.536681  0.456764  0.055429  1
  C  C79  1  0.536773  0.955363  0.052700  1
  C  C80  1  0.186479  0.343959  0.110172  1
  C  C81  1  0.186580  0.842684  0.108052  1
  C  C82  1  0.686488  0.343965  0.110139  1
  C  C83  1  0.686580  0.842696  0.107873  1
  C  C84  1  0.122862  0.288542  0.670786  1
  C  C85  1  0.121802  0.778966  0.662955  1
  C  C86  1  0.622116  0.289635  0.661861  1
  C  C87  1  0.621826  0.779170  0.662886  1
  C  C88  1  0.248572  0.120694  0.788750  1
  C  C89  1  0.248470  0.622892  0.792268  1
  C  C90  1  0.748565  0.120793  0.788731  1
  C  C91  1  0.748457  0.622876  0.792216  1
  C  C92  1  0.077581  0.335574  0.304770  1
  C  C93  1  0.074798  0.834892  0.305794  1
  C  C94  1  0.572412  0.344678  0.305073  1
  C  C95  1  0.574675  0.834899  0.305704  1
  C  C96  1  0.310444  0.343956  0.110161  1
  C  C97  1  0.310545  0.842682  0.108060  1
  C  C98  1  0.810452  0.343972  0.110144  1
  C  C99  1  0.810543  0.842694  0.107871  1
  C  C100  1  0.211719  0.196759  0.393644  1
  C  C101  1  0.209118  0.702462  0.398022  1
  C  C102  1  0.709151  0.215631  0.397948  1
  C  C103  1  0.709120  0.702601  0.397942  1
  C  C104  1  0.123618  0.348180  0.612573  1
  C  C105  1  0.121829  0.842938  0.611790  1
  C  C106  1  0.620308  0.353681  0.610909  1
  C  C107  1  0.621798  0.843111  0.611651  1
  C  C108  1  0.062424  0.392842  0.608731  1
  C  C109  1  0.059351  0.885742  0.610952  1
  C  C110  1  0.556648  0.394810  0.610513  1
  C  C111  1  0.559295  0.885881  0.610808  1
  C  C112  1  0.334104  0.148099  0.422592  1
  C  C113  1  0.329489  0.643760  0.421610  1
  C  C114  1  0.827027  0.154711  0.423505  1
  C  C115  1  0.829441  0.643848  0.421419  1
  C  C116  1  0.079161  0.398950  0.439839  1
  C  C117  1  0.074795  0.896675  0.442180  1
  C  C118  1  0.571259  0.406328  0.441689  1
  C  C119  1  0.574679  0.896749  0.442043  1
  C  C120  1  0.033265  0.098140  0.595017  1
  C  C121  1  0.035583  0.590251  0.594394  1
  C  C122  1  0.540979  0.098403  0.594557  1
  C  C123  1  0.535718  0.590359  0.594521  1
  C  C124  1  0.248467  0.426147  0.215146  1
  C  C125  1  0.248559  0.925172  0.212619  1
  C  C126  1  0.748463  0.426164  0.215114  1
  C  C127  1  0.748564  0.925147  0.212492  1
  C  C128  1  0.464371  0.068732  0.428464  1
  C  C129  1  0.458920  0.562255  0.428587  1
  C  C130  1  0.951423  0.068121  0.432475  1
  C  C131  1  0.958821  0.562289  0.428398  1
  C  C132  1  0.080692  0.085800  0.921105  1
  C  C133  1  0.080592  0.587624  0.924464  1
  C  C134  1  0.580698  0.085846  0.921088  1
  C  C135  1  0.580588  0.587597  0.924411  1
  C  C136  1  0.121637  0.128400  0.337533  1
  C  C137  1  0.121796  0.632957  0.340719  1
  C  C138  1  0.624742  0.143554  0.339403  1
  C  C139  1  0.621817  0.633020  0.340761  1
  C  C140  1  0.210099  0.167294  0.928928  1
  C  C141  1  0.210008  0.669083  0.932688  1
  C  C142  1  0.710100  0.167345  0.928939  1
  C  C143  1  0.709985  0.669078  0.932626  1
  C  C144  1  0.325962  0.149788  0.010619  1
  C  C145  1  0.325875  0.651335  0.014274  1
  C  C146  1  0.825966  0.149811  0.010610  1
  C  C147  1  0.825851  0.651353  0.014224  1
  C  C148  1  0.387027  0.379931  0.943277  1
  C  C149  1  0.387135  0.878179  0.941002  1
  C  C150  1  0.887038  0.379945  0.943266  1
  C  C151  1  0.887126  0.878248  0.940832  1
  C  C152  1  0.074682  0.149323  0.651922  1
  C  C153  1  0.074680  0.641046  0.646668  1
  C  C154  1  0.578817  0.150364  0.646380  1
  C  C155  1  0.574795  0.641196  0.646745  1
  C  C156  1  0.142489  0.169688  0.630735  1
  C  C157  1  0.135866  0.663174  0.593947  1
  C  C158  1  0.639072  0.174190  0.593201  1
  C  C159  1  0.635947  0.663341  0.593972  1
  C  C160  1  0.460357  0.027208  0.897019  1
  C  C161  1  0.460250  0.529064  0.900049  1
  C  C162  1  0.960344  0.027243  0.896946  1
  C  C163  1  0.960244  0.529089  0.900037  1
  C  C164  1  0.362282  0.166891  0.595318  1
  C  C165  1  0.358815  0.663252  0.594056  1
  C  C166  1  0.856144  0.175961  0.595419  1
  C  C167  1  0.858727  0.663269  0.593884  1
  C  C168  1  0.248574  0.057357  0.737188  1
  C  C169  1  0.248468  0.559707  0.740378  1
  C  C170  1  0.748563  0.057477  0.737123  1
  C  C171  1  0.748462  0.559684  0.740340  1
  C  C172  1  0.137840  0.350720  0.443507  1
  C  C173  1  0.135951  0.851215  0.443525  1
  C  C174  1  0.633640  0.362468  0.442706  1
  C  C175  1  0.635861  0.851321  0.443391  1
  C  C176  1  0.171168  0.087165  0.146320  1
  C  C177  1  0.171077  0.588339  0.149685  1
  C  C178  1  0.671170  0.087171  0.146311  1
  C  C179  1  0.671058  0.588348  0.149637  1
  C  C180  1  0.209783  0.274440  0.558349  1
  C  C181  1  0.209129  0.773390  0.554534  1
  C  C182  1  0.709377  0.286591  0.553388  1
  C  C183  1  0.709121  0.773573  0.554421  1
  C  C184  1  0.186487  0.470393  0.213986  1
  C  C185  1  0.186576  0.969410  0.211227  1
  C  C186  1  0.686480  0.470405  0.213946  1
  C  C187  1  0.686584  0.969389  0.211135  1
  C  C188  1  0.285739  0.275145  0.555801  1
  C  C189  1  0.285561  0.773437  0.554537  1
  C  C190  1  0.785804  0.287222  0.553093  1
  C  C191  1  0.785554  0.773538  0.554429  1
  C  C192  1  0.455669  0.392536  0.358071  1
  C  C193  1  0.458958  0.885690  0.357969  1
  C  C194  1  0.963729  0.391284  0.354492  1
  C  C195  1  0.959095  0.885736  0.358045  1
  C  C196  1  0.109997  0.104351  0.008795  1
  C  C197  1  0.109905  0.605915  0.012246  1
  C  C198  1  0.610002  0.104381  0.008785  1
  C  C199  1  0.609890  0.605908  0.012192  1
  C  C200  1  0.328391  0.334790  0.531481  1
  C  C201  1  0.329449  0.832179  0.530980  1
  C  C202  1  0.831432  0.344250  0.527717  1
  C  C203  1  0.829490  0.832263  0.530953  1
  C  C204  1  0.416429  -0.001896  0.111209  1
  C  C205  1  0.416339  0.499360  0.114096  1
  C  C206  1  0.916437  -0.001891  0.111134  1
  C  C207  1  0.916329  0.499390  0.114068  1
  C  C208  1  0.374611  0.201397  0.289188  1
  C  C209  1  0.372853  0.696884  0.289611  1
  C  C210  1  0.871640  0.204059  0.289593  1
  C  C211  1  0.872881  0.697020  0.289498  1
  C  C212  1  0.436622  0.264180  0.713188  1
  C  C213  1  0.435390  0.758557  0.712810  1
  C  C214  1  0.934537  0.271186  0.712865  1
  C  C215  1  0.935327  0.758462  0.712761  1
  C  C216  1  0.325957  0.087173  0.146343  1
  C  C217  1  0.325867  0.588326  0.149671  1
  C  C218  1  0.825965  0.087167  0.146309  1
  C  C219  1  0.825846  0.588349  0.149626  1
  C  C220  1  0.054475  0.091517  0.345949  1
  C  C221  1  0.059292  0.590188  0.341526  1
  C  C222  1  0.563594  0.098998  0.340889  1
  C  C223  1  0.559345  0.590209  0.341638  1
  C  C224  1  0.163380  0.243051  0.341650  1
  C  C225  1  0.165233  0.745584  0.340023  1
  C  C226  1  0.664870  0.257562  0.338932  1
  C  C227  1  0.665188  0.745671  0.339935  1
  C  C228  1  0.119535  0.196834  0.291003  1
  C  C229  1  0.121823  0.696927  0.289548  1
  C  C230  1  0.623086  0.207604  0.288421  1
  C  C231  1  0.621791  0.696962  0.289528  1
  C  C232  1  0.387131  0.104352  0.008817  1
  C  C233  1  0.387040  0.605901  0.012234  1
  C  C234  1  0.887131  0.104372  0.008779  1
  C  C235  1  0.887022  0.605926  0.012196  1
  C  C236  1  0.124100  0.097066  0.840462  1
  C  C237  1  0.123996  0.599123  0.843876  1
  C  C238  1  0.624094  0.097146  0.840444  1
  C  C239  1  0.623988  0.599093  0.843818  1
  C  C240  1  0.209997  0.444526  0.748286  1
  C  C241  1  0.210107  0.942191  0.745660  1
  C  C242  1  0.710002  0.444493  0.748243  1
  C  C243  1  0.710093  0.942309  0.745527  1
  C  C244  1  0.123996  0.450262  0.163817  1
  C  C245  1  0.124088  0.949134  0.161155  1
  C  C246  1  0.623995  0.450264  0.163771  1
  C  C247  1  0.624096  0.949127  0.161055  1
  C  C248  1  0.040430  0.419394  0.520540  1
  C  C249  1  0.035853  0.913679  0.524041  1
  C  C250  1  0.532125  0.422225  0.523783  1
  C  C251  1  0.535757  0.913796  0.523902  1
  C  C252  1  0.460248  0.456760  0.055450  1
  C  C253  1  0.460341  0.955341  0.052776  1
  C  C254  1  0.960250  0.456786  0.055443  1
  C  C255  1  0.960352  0.955358  0.052689  1
  C  C256  1  0.171078  0.397547  0.805893  1
  C  C257  1  0.171175  0.895358  0.803462  1
  C  C258  1  0.671075  0.397494  0.805812  1
  C  C259  1  0.671163  0.895455  0.803302  1
  C  C260  1  0.310556  0.013117  0.738579  1
  C  C261  1  0.310446  0.515458  0.741537  1
  C  C262  1  0.810545  0.013236  0.738480  1
  C  C263  1  0.810448  0.515446  0.741510  1
  C  C264  1  0.058376  0.268394  0.715645  1
  C  C265  1  0.059295  0.758419  0.712792  1
  C  C266  1  0.560501  0.267433  0.712295  1
  C  C267  1  0.559353  0.758596  0.712774  1
  C  C268  1  0.371573  0.346864  0.611971  1
  C  C269  1  0.372858  0.843029  0.611722  1
  C  C270  1  0.874809  0.355382  0.608432  1
  C  C271  1  0.872880  0.843034  0.611732  1
  C  C272  1  0.171165  0.149787  0.010607  1
  C  C273  1  0.171076  0.651342  0.014280  1
  C  C274  1  0.671171  0.149816  0.010613  1
  C  C275  1  0.671055  0.651342  0.014222  1
  C  C276  1  0.287027  0.040337  0.204143  1
  C  C277  1  0.286939  0.541333  0.207248  1
  C  C278  1  0.787035  0.040316  0.204087  1
  C  C279  1  0.786923  0.541355  0.207208  1
  C  C280  1  0.288976  0.205319  0.399143  1
  C  C281  1  0.285551  0.702468  0.398063  1
  C  C282  1  0.785553  0.214856  0.398637  1
  C  C283  1  0.785552  0.702603  0.397921  1
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