# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.44954443
_cell_length_b   36.62868122
_cell_length_c   45.47719249
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.82450554
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C648
_cell_volume   20575.6563685
_cell_formula_units_Z   648
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  0.006091  0.860536  0.293750  1
  C  C2  1  0.339425  0.527203  0.293750  1
  C  C3  1  0.224607  0.845953  0.316111  1
  C  C4  1  0.606531  0.868348  0.307285  1
  C  C5  1  0.939864  0.535015  0.307285  1
  C  C6  1  0.273197  0.201682  0.307285  1
  C  C7  1  0.672758  0.193869  0.293750  1
  C  C8  1  0.557940  0.512620  0.316111  1
  C  C9  1  0.891273  0.179287  0.316111  1
  C  C10  1  0.884578  0.863491  0.297824  1
  C  C11  1  0.217911  0.530157  0.297824  1
  C  C12  1  0.275107  0.832668  0.283099  1
  C  C13  1  0.486312  0.866482  0.311046  1
  C  C14  1  0.819645  0.533149  0.311046  1
  C  C15  1  0.152978  0.199816  0.311046  1
  C  C16  1  0.551244  0.196824  0.297824  1
  C  C17  1  0.608441  0.499335  0.283099  1
  C  C18  1  0.941774  0.166001  0.283099  1
  C  C19  1  0.101962  0.961279  0.297251  1
  C  C20  1  0.435295  0.627946  0.297251  1
  C  C21  1  0.494035  0.966365  0.284593  1
  C  C22  1  0.706951  0.962967  0.310240  1
  C  C23  1  0.040284  0.629634  0.310240  1
  C  C24  1  0.373618  0.296301  0.310240  1
  C  C25  1  0.768628  0.294612  0.297251  1
  C  C26  1  0.827368  0.633032  0.284593  1
  C  C27  1  0.160702  0.299698  0.284593  1
  C  C28  1  0.913274  0.629817  0.311510  1
  C  C29  1  0.246607  0.296483  0.311509  1
  C  C30  1  0.314297  0.627408  0.301111  1
  C  C31  1  0.707650  0.631991  0.288763  1
  C  C32  1  0.040984  0.298658  0.288763  1
  C  C33  1  0.374317  0.965324  0.288763  1
  C  C34  1  0.579940  0.963150  0.311509  1
  C  C35  1  0.647630  0.294075  0.301111  1
  C  C36  1  0.980964  0.960741  0.301111  1
  C  C37  1  0.921439  0.742302  0.290145  1
  C  C38  1  0.254772  0.408969  0.290145  1
  C  C39  1  0.139513  0.728683  0.312975  1
  C  C40  1  0.521671  0.750691  0.303380  1
  C  C41  1  0.855004  0.417357  0.303380  1
  C  C42  1  0.188337  0.084024  0.303380  1
  C  C43  1  0.588105  0.075636  0.290145  1
  C  C44  1  0.472847  0.395350  0.312975  1
  C  C45  1  0.806180  0.062017  0.312975  1
  C  C46  1  0.190594  0.713449  0.280492  1
  C  C47  1  0.523927  0.380115  0.280492  1
  C  C48  1  0.401490  0.748769  0.307168  1
  C  C49  1  0.799834  0.745597  0.294127  1
  C  C50  1  0.133167  0.412264  0.294127  1
  C  C51  1  0.466501  0.078930  0.294127  1
  C  C52  1  0.857260  0.046782  0.280492  1
  C  C53  1  0.734824  0.415435  0.307168  1
  C  C54  1  0.068157  0.082102  0.307168  1
  C  C55  1  0.826689  0.859407  0.328753  1
  C  C56  1  0.160022  0.526073  0.328753  1
  C  C57  1  0.038636  0.850550  0.353614  1
  C  C58  1  0.431121  0.855929  0.341044  1
  C  C59  1  0.764455  0.522596  0.341044  1
  C  C60  1  0.097788  0.189262  0.341043  1
  C  C61  1  0.493356  0.192740  0.328753  1
  C  C62  1  0.371970  0.517217  0.353614  1
  C  C63  1  0.705303  0.183884  0.353614  1
  C  C64  1  0.692649  0.860651  0.333218  1
  C  C65  1  0.025983  0.527317  0.333218  1
  C  C66  1  0.091748  0.852900  0.319993  1
  C  C67  1  0.301403  0.849398  0.344494  1
  C  C68  1  0.634737  0.516065  0.344495  1
  C  C69  1  0.968070  0.182732  0.344495  1
  C  C70  1  0.359316  0.193984  0.333218  1
  C  C71  1  0.425081  0.519566  0.319993  1
  C  C72  1  0.758415  0.186233  0.319993  1
  C  C73  1  0.924543  0.958461  0.332283  1
  C  C74  1  0.257877  0.625127  0.332283  1
  C  C75  1  0.317699  0.961079  0.319934  1
  C  C76  1  0.526746  0.958840  0.345618  1
  C  C77  1  0.860080  0.625507  0.345618  1
  C  C78  1  0.193413  0.292174  0.345618  1
  C  C79  1  0.591210  0.291794  0.332283  1
  C  C80  1  0.651032  0.627746  0.319934  1
  C  C81  1  0.984366  0.294412  0.319934  1
  C  C82  1  0.730864  0.624712  0.349400  1
  C  C83  1  0.064197  0.291378  0.349399  1
  C  C84  1  0.121974  0.625854  0.336376  1
  C  C85  1  0.518155  0.626178  0.324107  1
  C  C86  1  0.851488  0.292845  0.324107  1
  C  C87  1  0.184822  0.959512  0.324107  1
  C  C88  1  0.397531  0.958045  0.349400  1
  C  C89  1  0.455308  0.292521  0.336376  1
  C  C90  1  0.788641  0.959187  0.336376  1
  C  C91  1  0.741321  0.743177  0.325165  1
  C  C92  1  0.074655  0.409843  0.325165  1
  C  C93  1  0.952799  0.735506  0.350286  1
  C  C94  1  0.345646  0.739956  0.337520  1
  C  C95  1  0.678980  0.406623  0.337520  1
  C  C96  1  0.012313  0.073290  0.337520  1
  C  C97  1  0.407988  0.076510  0.325165  1
  C  C98  1  0.286132  0.402172  0.350286  1
  C  C99  1  0.619465  0.068839  0.350286  1
  C  C100  1  0.006595  0.735982  0.316614  1
  C  C101  1  0.339928  0.402649  0.316614  1
  C  C102  1  0.215825  0.733661  0.341198  1
  C  C103  1  0.607213  0.744584  0.329580  1
  C  C104  1  0.940546  0.411250  0.329580  1
  C  C105  1  0.273879  0.077917  0.329580  1
  C  C106  1  0.673261  0.069316  0.316614  1
  C  C107  1  0.549158  0.400328  0.341198  1
  C  C108  1  0.882492  0.066995  0.341198  1
  C  C109  1  0.642961  0.852361  0.366127  1
  C  C110  1  0.976294  0.519028  0.366127  1
  C  C111  1  0.856038  0.846959  0.390444  1
  C  C112  1  0.251232  0.846212  0.377742  1
  C  C113  1  0.584566  0.512878  0.377742  1
  C  C114  1  0.917899  0.179545  0.377742  1
  C  C115  1  0.309628  0.185695  0.366127  1
  C  C116  1  0.189371  0.513625  0.390444  1
  C  C117  1  0.522705  0.180292  0.390444  1
  C  C118  1  0.513203  0.850528  0.370039  1
  C  C119  1  0.846536  0.517195  0.370039  1
  C  C120  1  0.907831  0.852379  0.357760  1
  C  C121  1  0.119751  0.846362  0.382067  1
  C  C122  1  0.453084  0.513029  0.382067  1
  C  C123  1  0.786418  0.179695  0.382067  1
  C  C124  1  0.179870  0.183862  0.370039  1
  C  C125  1  0.241164  0.519046  0.357760  1
  C  C126  1  0.574497  0.185713  0.357760  1
  C  C127  1  0.738551  0.955525  0.370256  1
  C  C128  1  0.071885  0.622191  0.370256  1
  C  C129  1  0.133745  0.956247  0.357641  1
  C  C130  1  0.344905  0.954216  0.382325  1
  C  C131  1  0.678238  0.620882  0.382325  1
  C  C132  1  0.011572  0.287549  0.382325  1
  C  C133  1  0.405218  0.288858  0.370256  1
  C  C134  1  0.467078  0.622914  0.357641  1
  C  C135  1  0.800411  0.289580  0.357641  1
  C  C136  1  0.547185  0.620169  0.386370  1
  C  C137  1  0.880518  0.286835  0.386370  1
  C  C138  1  0.940812  0.622032  0.373997  1
  C  C139  1  0.336515  0.622395  0.361708  1
  C  C140  1  0.669848  0.289062  0.361708  1
  C  C141  1  0.003182  0.955728  0.361708  1
  C  C142  1  0.213852  0.953502  0.386370  1
  C  C143  1  0.274145  0.288699  0.373997  1
  C  C144  1  0.607478  0.955366  0.373997  1
  C  C145  1  0.556864  0.738039  0.362737  1
  C  C146  1  0.890197  0.404706  0.362737  1
  C  C147  1  0.769486  0.733868  0.387211  1
  C  C148  1  0.164973  0.732322  0.374525  1
  C  C149  1  0.498306  0.398988  0.374525  1
  C  C150  1  0.831640  0.065655  0.374525  1
  C  C151  1  0.223530  0.071372  0.362737  1
  C  C152  1  0.102819  0.400535  0.387211  1
  C  C153  1  0.436153  0.067202  0.387211  1
  C  C154  1  0.821898  0.737642  0.354381  1
  C  C155  1  0.155232  0.404308  0.354381  1
  C  C156  1  0.033393  0.732752  0.378849  1
  C  C157  1  0.427084  0.736283  0.366690  1
  C  C158  1  0.760417  0.402950  0.366690  1
  C  C159  1  0.093750  0.069617  0.366690  1
  C  C160  1  0.488565  0.070975  0.354381  1
  C  C161  1  0.366726  0.399418  0.378849  1
  C  C162  1  0.700060  0.066085  0.378849  1
  C  C163  1  0.462294  0.844194  0.402612  1
  C  C164  1  0.795627  0.510861  0.402612  1
  C  C165  1  0.674024  0.840706  0.427352  1
  C  C166  1  0.068275  0.841964  0.415078  1
  C  C167  1  0.401608  0.508630  0.415078  1
  C  C168  1  0.734941  0.175297  0.415078  1
  C  C169  1  0.128961  0.177527  0.402612  1
  C  C170  1  0.007357  0.507373  0.427352  1
  C  C171  1  0.340691  0.174040  0.427352  1
  C  C172  1  0.331330  0.842735  0.406566  1
  C  C173  1  0.664663  0.509402  0.406566  1
  C  C174  1  0.724723  0.846597  0.394505  1
  C  C175  1  0.937082  0.841905  0.419139  1
  C  C176  1  0.270415  0.508572  0.419139  1
  C  C177  1  0.603748  0.175238  0.419139  1
  C  C178  1  0.997997  0.176068  0.406566  1
  C  C179  1  0.058057  0.513264  0.394505  1
  C  C180  1  0.391390  0.179931  0.394505  1
  C  C181  1  0.555890  0.951559  0.407250  1
  C  C182  1  0.889223  0.618226  0.407250  1
  C  C183  1  0.950806  0.952498  0.394606  1
  C  C184  1  0.161943  0.949970  0.419432  1
  C  C185  1  0.495277  0.616637  0.419432  1
  C  C186  1  0.828610  0.283303  0.419432  1
  C  C187  1  0.222556  0.284892  0.407250  1
  C  C188  1  0.284139  0.619165  0.394606  1
  C  C189  1  0.617472  0.285832  0.394606  1
  C  C190  1  0.364179  0.616160  0.423473  1
  C  C191  1  0.697512  0.282827  0.423473  1
  C  C192  1  0.758339  0.617730  0.411200  1
  C  C193  1  0.152460  0.618929  0.398659  1
  C  C194  1  0.485793  0.285596  0.398659  1
  C  C195  1  0.819126  0.952263  0.398659  1
  C  C196  1  0.030846  0.949493  0.423473  1
  C  C197  1  0.091673  0.284396  0.411200  1
  C  C198  1  0.425006  0.951063  0.411200  1
  C  C199  1  0.375572  0.731575  0.399438  1
  C  C200  1  0.708905  0.398242  0.399438  1
  C  C201  1  0.586896  0.729181  0.424263  1
  C  C202  1  0.981333  0.729915  0.411967  1
  C  C203  1  0.314667  0.396581  0.411967  1
  C  C204  1  0.648000  0.063248  0.411967  1
  C  C205  1  0.042238  0.064909  0.399438  1
  C  C206  1  0.920229  0.395848  0.424263  1
  C  C207  1  0.253563  0.062514  0.424263  1
  C  C208  1  0.638100  0.733699  0.391278  1
  C  C209  1  0.971433  0.400366  0.391278  1
  C  C210  1  0.850071  0.730047  0.416029  1
  C  C211  1  0.244552  0.730276  0.403434  1
  C  C212  1  0.577885  0.396942  0.403434  1
  C  C213  1  0.911218  0.063609  0.403434  1
  C  C214  1  0.304767  0.067032  0.391278  1
  C  C215  1  0.183404  0.396713  0.416029  1
  C  C216  1  0.516737  0.063380  0.416029  1
  C  C217  1  0.280409  0.838049  0.439525  1
  C  C218  1  0.613743  0.504716  0.439525  1
  C  C219  1  0.492045  0.834670  0.464256  1
  C  C220  1  0.885991  0.836821  0.452026  1
  C  C221  1  0.219324  0.503487  0.452026  1
  C  C222  1  0.552658  0.170154  0.452026  1
  C  C223  1  0.947076  0.171382  0.439525  1
  C  C224  1  0.825378  0.501337  0.464256  1
  C  C225  1  0.158711  0.168004  0.464256  1
  C  C226  1  0.149269  0.837655  0.443742  1
  C  C227  1  0.482602  0.504322  0.443741  1
  C  C228  1  0.543187  0.839712  0.431387  1
  C  C229  1  0.754909  0.836203  0.456064  1
  C  C230  1  0.088243  0.502870  0.456064  1
  C  C231  1  0.421576  0.169536  0.456064  1
  C  C232  1  0.815935  0.170989  0.443742  1
  C  C233  1  0.876520  0.506379  0.431387  1
  C  C234  1  0.209853  0.173046  0.431387  1
  C  C235  1  0.373220  0.947391  0.444240  1
  C  C236  1  0.706553  0.614058  0.444240  1
  C  C237  1  0.767699  0.948693  0.431821  1
  C  C238  1  0.979213  0.945966  0.456514  1
  C  C239  1  0.312546  0.612633  0.456514  1
  C  C240  1  0.645880  0.279299  0.456514  1
  C  C241  1  0.039886  0.280724  0.444240  1
  C  C242  1  0.101032  0.615359  0.431821  1
  C  C243  1  0.434365  0.282026  0.431821  1
  C  C244  1  0.181352  0.612210  0.460591  1
  C  C245  1  0.514685  0.278877  0.460591  1
  C  C246  1  0.575451  0.613566  0.448269  1
  C  C247  1  0.969903  0.614985  0.435916  1
  C  C248  1  0.303236  0.281652  0.435916  1
  C  C249  1  0.636569  0.948319  0.435916  1
  C  C250  1  0.848019  0.945544  0.460591  1
  C  C251  1  0.908785  0.280232  0.448269  1
  C  C252  1  0.242118  0.946899  0.448269  1
  C  C253  1  0.193131  0.726917  0.436495  1
  C  C254  1  0.526464  0.393584  0.436495  1
  C  C255  1  0.404517  0.724222  0.461271  1
  C  C256  1  0.798570  0.726074  0.449012  1
  C  C257  1  0.131904  0.392741  0.449013  1
  C  C258  1  0.465237  0.059407  0.449013  1
  C  C259  1  0.859797  0.060250  0.436495  1
  C  C260  1  0.737851  0.390889  0.461271  1
  C  C261  1  0.071184  0.057555  0.461271  1
  C  C262  1  0.456014  0.728309  0.428318  1
  C  C263  1  0.789348  0.394976  0.428318  1
  C  C264  1  0.667451  0.725554  0.453056  1
  C  C265  1  0.061940  0.726661  0.440720  1
  C  C266  1  0.395273  0.393327  0.440720  1
  C  C267  1  0.728606  0.059994  0.440720  1
  C  C268  1  0.122681  0.061642  0.428318  1
  C  C269  1  0.000785  0.392221  0.453056  1
  C  C270  1  0.334118  0.058888  0.453056  1
  C  C271  1  0.097949  0.833076  0.476679  1
  C  C272  1  0.431283  0.499742  0.476679  1
  C  C273  1  0.309708  0.829602  0.501270  1
  C  C274  1  0.703791  0.831368  0.488984  1
  C  C275  1  0.037125  0.498034  0.488984  1
  C  C276  1  0.370458  0.164701  0.488984  1
  C  C277  1  0.764616  0.166409  0.476679  1
  C  C278  1  0.643041  0.496269  0.501270  1
  C  C279  1  0.976374  0.162935  0.501270  1
  C  C280  1  0.966825  0.832616  0.480761  1
  C  C281  1  0.300159  0.499282  0.480761  1
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