# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.27631256
_cell_length_b   19.64637170
_cell_length_c   20.24432512
_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   C559
_cell_volume   9257.63044188
_cell_formula_units_Z   559
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  0.388346  0.588478  0.428331  1
  C  C2  1  0.889176  0.582927  0.430029  1
  C  C3  1  0.536948  0.558022  0.815614  1
  C  C4  1  0.378542  0.725747  0.677250  1
  C  C5  1  0.876099  0.728789  0.677392  1
  C  C6  1  0.100324  0.234285  0.246181  1
  C  C7  1  0.598625  0.237890  0.246318  1
  C  C8  1  0.115347  0.591220  0.434092  1
  C  C9  1  0.614555  0.588478  0.428331  1
  C  C10  1  0.466205  0.804697  0.107272  1
  C  C11  1  0.964704  0.819866  0.119619  1
  C  C12  1  0.331683  0.610614  0.315271  1
  C  C13  1  0.834367  0.607375  0.316213  1
  C  C14  1  0.007271  0.593584  0.987931  1
  C  C15  1  0.501450  0.557541  0.010133  1
  C  C16  1  0.352440  0.645676  0.107176  1
  C  C17  1  0.862006  0.651753  0.110592  1
  C  C18  1  0.033816  0.178687  0.595143  1
  C  C19  1  0.536695  0.189078  0.607272  1
  C  C20  1  0.039037  0.713795  0.027956  1
  C  C21  1  0.536983  0.689041  0.022354  1
  C  C22  1  0.041271  0.548934  0.677217  1
  C  C23  1  0.536948  0.558022  0.676755  1
  C  C24  1  0.117669  0.377823  0.925484  1
  C  C25  1  0.614555  0.405297  0.928331  1
  C  C26  1  0.062138  0.634707  0.019422  1
  C  C27  1  0.557669  0.609316  0.021676  1
  C  C28  1  0.151214  0.323706  0.878037  1
  C  C29  1  0.650461  0.348098  0.885193  1
  C  C30  1  0.373667  0.725232  0.107253  1
  C  C31  1  0.876340  0.733383  0.114447  1
  C  C32  1  0.430151  0.548825  0.746184  1
  C  C33  1  0.927464  0.552224  0.742093  1
  C  C34  1  0.080015  0.448793  0.249416  1
  C  C35  1  0.572749  0.444949  0.246184  1
  C  C36  1  0.465918  0.689041  0.022354  1
  C  C37  1  0.968384  0.711455  0.026265  1
  C  C38  1  0.150512  0.334733  0.598965  1
  C  C39  1  0.650461  0.348098  0.607176  1
  C  C40  1  0.057468  0.608562  0.476184  1
  C  C41  1  0.557669  0.609316  0.470692  1
  C  C42  1  0.043097  0.436303  0.317665  1
  C  C43  1  0.536948  0.435753  0.315614  1
  C  C44  1  0.424200  0.839363  0.746180  1
  C  C45  1  0.921935  0.842315  0.746316  1
  C  C46  1  0.151545  0.446786  0.672294  1
  C  C47  1  0.649346  0.462792  0.676945  1
  C  C48  1  0.465953  0.558022  0.815614  1
  C  C49  1  0.948703  0.575189  0.812526  1
  C  C50  1  0.010907  0.454851  0.059758  1
  C  C51  1  0.501450  0.481795  0.055720  1
  C  C52  1  0.322108  0.247249  0.428175  1
  C  C53  1  0.820429  0.250425  0.428310  1
  C  C54  1  0.111759  0.532971  0.111300  1
  C  C55  1  0.614368  0.517089  0.107394  1
  C  C56  1  0.084069  0.540095  0.736435  1
  C  C57  1  0.572749  0.548825  0.746184  1
  C  C58  1  0.124391  0.267983  0.315112  1
  C  C59  1  0.622738  0.271539  0.315251  1
  C  C60  1  0.430796  0.246499  0.928183  1
  C  C61  1  0.934378  0.225952  0.920117  1
  C  C62  1  0.124389  0.267985  0.177250  1
  C  C63  1  0.622734  0.271549  0.177388  1
  C  C64  1  0.042607  0.274229  0.965993  1
  C  C65  1  0.536983  0.304734  0.970014  1
  C  C66  1  0.445232  0.384459  0.521676  1
  C  C67  1  0.945702  0.379825  0.518153  1
  C  C68  1  0.117275  0.521349  0.388540  1
  C  C69  1  0.614368  0.517089  0.384974  1
  C  C70  1  0.322102  0.247254  0.064178  1
  C  C71  1  0.820418  0.250454  0.064310  1
  C  C72  1  0.132427  0.484676  0.743514  1
  C  C73  1  0.630462  0.500225  0.746184  1
  C  C74  1  0.037544  0.165499  0.872981  1
  C  C75  1  0.536695  0.189078  0.885096  1
  C  C76  1  0.044984  0.437789  0.179936  1
  C  C77  1  0.536948  0.435753  0.176755  1
  C  C78  1  0.445622  0.524754  0.606343  1
  C  C79  1  0.948331  0.518562  0.607201  1
  C  C80  1  0.465918  0.689041  0.470014  1
  C  C81  1  0.963506  0.684550  0.477088  1
  C  C82  1  0.004414  0.504781  0.555822  1
  C  C83  1  0.501450  0.511980  0.555720  1
  C  C84  1  0.352440  0.348098  0.885193  1
  C  C85  1  0.865176  0.337233  0.879810  1
  C  C86  1  0.466026  0.834053  0.246184  1
  C  C87  1  0.962236  0.840217  0.259893  1
  C  C88  1  0.373667  0.725232  0.385116  1
  C  C89  1  0.871489  0.720669  0.391851  1
  C  C90  1  0.146748  0.440805  0.812022  1
  C  C91  1  0.649346  0.462792  0.815424  1
  C  C92  1  0.445232  0.384459  0.970692  1
  C  C93  1  0.954594  0.360534  0.970692  1
  C  C94  1  0.071045  0.511148  0.901988  1
  C  C95  1  0.557278  0.524754  0.886025  1
  C  C96  1  0.171795  0.367442  0.670263  1
  C  C97  1  0.671218  0.383160  0.677097  1
  C  C98  1  0.445622  0.469020  0.106343  1
  C  C99  1  0.953706  0.466444  0.106500  1
  C  C100  1  0.034518  0.687392  0.478469  1
  C  C101  1  0.536983  0.689041  0.470014  1
  C  C102  1  0.286873  0.334029  0.246179  1
  C  C103  1  0.785308  0.337282  0.246319  1
  C  C104  1  0.012020  0.399035  -0.000246  1
  C  C105  1  0.501450  0.436233  0.982235  1
  C  C106  1  0.445622  0.469020  0.386025  1
  C  C107  1  0.949290  0.466406  0.385610  1
  C  C108  1  0.352440  0.645676  0.385193  1
  C  C109  1  0.852603  0.640389  0.387985  1
  C  C110  1  0.431627  0.176585  0.815131  1
  C  C111  1  0.931304  0.161609  0.804279  1
  C  C112  1  0.002609  0.554207  0.484424  1
  C  C113  1  0.501450  0.557541  0.482235  1
  C  C114  1  0.002858  0.430295  0.508032  1
  C  C115  1  0.501450  0.436233  0.510133  1
  C  C116  1  0.331683  0.610614  0.177097  1
  C  C117  1  0.840430  0.612942  0.178305  1
  C  C118  1  0.466026  0.159722  0.746184  1
  C  C119  1  0.964299  0.146172  0.734118  1
  C  C120  1  0.465918  0.304734  0.522354  1
  C  C121  1  0.964519  0.299489  0.515495  1
  C  C122  1  0.466205  0.804697  0.385096  1
  C  C123  1  0.961646  0.803842  0.397196  1
  C  C124  1  0.110605  0.605904  0.071210  1
  C  C125  1  0.614555  0.588478  0.064037  1
  C  C126  1  0.331683  0.383160  0.677097  1
  C  C127  1  0.833344  0.376775  0.674420  1
  C  C128  1  0.374389  0.225762  0.815116  1
  C  C129  1  0.876354  0.214279  0.807150  1
  C  C130  1  0.431627  0.176585  0.677238  1
  C  C131  1  0.929417  0.166985  0.666524  1
  C  C132  1  0.388346  0.588478  0.064037  1
  C  C133  1  0.901681  0.598645  0.067056  1
  C  C134  1  0.388346  0.405297  0.928331  1
  C  C135  1  0.906707  0.392032  0.919597  1
  C  C136  1  0.286693  0.304675  0.107266  1
  C  C137  1  0.785086  0.307935  0.107405  1
  C  C138  1  0.061938  0.470476  0.388132  1
  C  C139  1  0.557278  0.469020  0.386025  1
  C  C140  1  0.067369  0.352504  0.975532  1
  C  C141  1  0.557669  0.384459  0.970692  1
  C  C142  1  0.465953  0.435753  0.176755  1
  C  C143  1  0.974241  0.435816  0.178523  1
  C  C144  1  0.069982  0.236606  0.553569  1
  C  C145  1  0.572104  0.246499  0.564185  1
  C  C146  1  0.424184  0.154383  0.246173  1
  C  C147  1  0.922377  0.157380  0.246298  1
  C  C148  1  0.328720  0.654404  0.246184  1
  C  C149  1  0.832482  0.653657  0.248634  1
  C  C150  1  0.431627  0.817190  0.315131  1
  C  C151  1  0.927543  0.818283  0.327277  1
  C  C152  1  0.421220  0.110595  0.177085  1
  C  C153  1  0.919352  0.113602  0.177208  1
  C  C154  1  0.127895  0.255811  0.596633  1
  C  C155  1  0.629233  0.268543  0.607253  1
  C  C156  1  0.321272  0.317168  0.177231  1
  C  C157  1  0.819683  0.320359  0.177370  1
  C  C158  1  0.379232  0.225212  0.107243  1
  C  C159  1  0.877520  0.228303  0.107373  1
  C  C160  1  0.378513  0.267990  0.315107  1
  C  C161  1  0.876858  0.271065  0.315240  1
  C  C162  1  0.388533  0.517089  0.384974  1
  C  C163  1  0.891414  0.513126  0.384392  1
  C  C164  1  0.035102  0.143679  0.732811  1
  C  C165  1  0.536874  0.159722  0.746184  1
  C  C166  1  0.388533  0.476686  0.884974  1
  C  C167  1  0.907697  0.463198  0.877655  1
  C  C168  1  0.373667  0.268543  0.885116  1
  C  C169  1  0.879157  0.255484  0.877970  1
  C  C170  1  0.350322  0.259461  0.746184  1
  C  C171  1  0.851839  0.250846  0.739868  1
  C  C172  1  0.057986  0.376205  0.516204  1
  C  C173  1  0.557669  0.384459  0.521676  1
  C  C174  1  0.075207  0.218856  0.918586  1
  C  C175  1  0.572104  0.246499  0.928183  1
  C  C176  1  0.465953  0.558022  0.676755  1
  C  C177  1  0.969375  0.552656  0.675607  1
  C  C178  1  0.430796  0.747275  0.428183  1
  C  C179  1  0.927271  0.743128  0.437011  1
  C  C180  1  0.353555  0.530983  0.176945  1
  C  C181  1  0.866136  0.535009  0.175504  1
  C  C182  1  0.388346  0.405297  0.564037  1
  C  C183  1  0.889310  0.401032  0.561354  1
  C  C184  1  0.133912  0.503286  0.249241  1
  C  C185  1  0.630462  0.493550  0.246184  1
  C  C186  1  0.400461  0.145657  0.107164  1
  C  C187  1  0.898640  0.148708  0.107289  1
  C  C188  1  0.402579  0.234293  0.246175  1
  C  C189  1  0.900880  0.237329  0.246305  1
  C  C190  1  0.331683  0.383160  0.815271  1
  C  C191  1  0.841017  0.373528  0.812280  1
  C  C192  1  0.012185  0.541906  0.923288  1
  C  C193  1  0.501450  0.511980  0.936648  1
  C  C194  1  0.445232  0.609316  0.021676  1
  C  C195  1  0.949343  0.631022  0.016262  1
  C  C196  1  0.430796  0.747275  0.064185  1
  C  C197  1  0.931371  0.763868  0.072553  1
  C  C198  1  0.068997  0.162584  0.664027  1
  C  C199  1  0.571274  0.176585  0.677238  1
  C  C200  1  0.465918  0.304734  0.970014  1
  C  C201  1  0.972020  0.279363  0.964785  1
  C  C202  1  0.004463  0.479850  0.437113  1
  C  C203  1  0.501450  0.481795  0.436648  1
  C  C204  1  0.116374  0.464354  0.604266  1
  C  C205  1  0.614368  0.476686  0.607394  1
  C  C206  1  0.035529  0.297108  0.514175  1
  C  C207  1  0.536983  0.304734  0.522354  1
  C  C208  1  0.445622  0.524754  0.886025  1
  C  C209  1  0.951960  0.529448  0.875309  1
  C  C210  1  0.466205  0.189078  0.607272  1
  C  C211  1  0.963357  0.180879  0.596406  1
  C  C212  1  0.430796  0.246499  0.564185  1
  C  C213  1  0.928629  0.240876  0.555957  1
  C  C214  1  0.114540  0.452606  0.884515  1
  C  C215  1  0.614368  0.476686  0.884974  1
  C  C216  1  0.445232  0.609316  0.470692  1
  C  C217  1  0.945069  0.604108  0.473974  1
  C  C218  1  0.374389  0.225762  0.677253  1
  C  C219  1  0.873538  0.218248  0.669450  1
  C  C220  1  0.353555  0.462792  0.815424  1
  C  C221  1  0.866030  0.452307  0.812807  1
  C  C222  1  0.402604  0.759450  0.746181  1
  C  C223  1  0.900208  0.762453  0.746320  1
  C  C224  1  0.400466  0.145653  0.385182  1
  C  C225  1  0.898651  0.148684  0.385308  1
  C  C226  1  0.372439  0.493550  0.246184  1
  C  C227  1  0.879891  0.494211  0.244538  1
  C  C228  1  0.353555  0.530983  0.315424  1
  C  C229  1  0.857979  0.528468  0.314113  1
  C  C230  1  0.353555  0.462792  0.676945  1
  C  C231  1  0.855045  0.456850  0.675133  1
  C  C232  1  0.147521  0.544976  0.180663  1
  C  C233  1  0.649346  0.530983  0.176945  1
  C  C234  1  0.373667  0.268543  0.607253  1
  C  C235  1  0.872636  0.263248  0.600771  1
  C  C236  1  0.388533  0.517089  0.107394  1
  C  C237  1  0.904391  0.525970  0.107478  1
  C  C238  1  0.151835  0.539172  0.319540  1
  C  C239  1  0.649346  0.530983  0.315424  1
  C  C240  1  0.378511  0.267992  0.177244  1
  C  C241  1  0.876857  0.271079  0.177377  1
  C  C242  1  0.379237  0.225208  0.385106  1
  C  C243  1  0.877526  0.228277  0.385237  1
  C  C244  1  0.321275  0.317166  0.315124  1
  C  C245  1  0.819687  0.320351  0.315264  1
  C  C246  1  0.131037  0.243724  0.874626  1
  C  C247  1  0.629233  0.268543  0.885116  1
  C  C248  1  0.430151  0.444949  0.246184  1
  C  C249  1  0.936558  0.443857  0.246539  1
  C  C250  1  0.388533  0.476686  0.607394  1
  C  C251  1  0.890512  0.471349  0.605807  1
  C  C252  1  0.115679  0.394103  0.558139  1
  C  C253  1  0.614555  0.405297  0.564037  1
  C  C254  1  0.421222  0.110593  0.315259  1
  C  C255  1  0.919359  0.113590  0.315382  1
  C  C256  1  0.431627  0.817190  0.177238  1
  C  C257  1  0.929070  0.825691  0.189653  1
  C  C258  1  0.372439  0.500225  0.746184  1
  C  C259  1  0.874417  0.493747  0.743603  1
  C  C260  1  0.328720  0.339371  0.746184  1
  C  C261  1  0.832734  0.331687  0.742705  1
  C  C262  1  0.169277  0.362751  0.808225  1
  C  C263  1  0.671218  0.383160  0.815271  1
  C  C264  1  0.070806  0.156265  0.801749  1
  C  C265  1  0.571274  0.176585  0.815131  1
  C  C266  1  0.352440  0.348098  0.607176  1
  C  C267  1  0.852878  0.343304  0.603518  1
  C  C268  1  0.060483  0.513809  0.604837  1
  C  C269  1  0.557278  0.524754  0.606343  1
  C  C270  1  0.378539  0.725750  0.815112  1
  C  C271  1  0.876075  0.728826  0.815254  1
  C  C272  1  0.466205  0.189078  0.885096  1
  C  C273  1  0.967148  0.168640  0.874094  1
  C  C274  1  0.465953  0.435753  0.315614  1
  C  C275  1  0.972143  0.433685  0.316070  1
  C  C276  1  0.066270  0.469359  0.108577  1
  C  C277  1  0.557278  0.469020  0.106343  1
  C  C278  1  0.286697  0.304670  0.385090  1
  C  C279  1  0.785095  0.307918  0.385230  1
  C  C280  1  0.138353  0.088447  0.428325  1
  C  C281  1  0.636460  0.091968  0.428449  1
  C  C282  1  0.286949  0.057998  0.815604  1
  C  C283  1  0.785007  0.061254  0.815718  1
  C  C284  1  0.126978  0.210457  0.665067  1
  C  C285  1  0.628511  0.225762  0.677253  1
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