# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.31855128
_cell_length_b   19.54405403
_cell_length_c   20.14434434
_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   9180.56387169
_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  0.387475  0.592132  0.431497  1
  C  C2  1  0.887857  0.595056  0.434911  1
  C  C3  1  0.028904  0.559740  0.819392  1
  C  C4  1  0.535985  0.560808  0.818140  1
  C  C5  1  0.378343  0.726842  0.678677  1
  C  C6  1  0.877415  0.726265  0.679392  1
  C  C7  1  0.099720  0.238803  0.247932  1
  C  C8  1  0.599597  0.238848  0.248647  1
  C  C9  1  0.114013  0.588740  0.431619  1
  C  C10  1  0.613609  0.592132  0.431497  1
  C  C11  1  0.465360  0.809538  0.109080  1
  C  C12  1  0.967744  0.814885  0.114205  1
  C  C13  1  0.330841  0.614468  0.318035  1
  C  C14  1  0.830884  0.620220  0.322460  1
  C  C15  1  0.985670  0.552795  0.010124  1
  C  C16  1  0.500542  0.560942  0.012400  1
  C  C17  1  0.351645  0.649732  0.109036  1
  C  C18  1  0.852406  0.656573  0.114155  1
  C  C19  1  0.042038  0.189196  0.608493  1
  C  C20  1  0.535724  0.189439  0.609080  1
  C  C21  1  0.033831  0.716997  0.015925  1
  C  C22  1  0.536011  0.693234  0.023886  1
  C  C23  1  0.030929  0.560124  0.680482  1
  C  C24  1  0.535985  0.560808  0.679153  1
  C  C25  1  0.108640  0.407940  0.933347  1
  C  C26  1  0.613609  0.406845  0.931497  1
  C  C27  1  0.556667  0.613095  0.023528  1
  C  C28  1  0.146590  0.351995  0.890786  1
  C  C29  1  0.649439  0.349246  0.888258  1
  C  C30  1  0.372928  0.729670  0.109068  1
  C  C31  1  0.875488  0.736126  0.114311  1
  C  C32  1  0.428996  0.551421  0.748647  1
  C  C33  1  0.923010  0.546004  0.747090  1
  C  C34  1  0.067103  0.448432  0.247344  1
  C  C35  1  0.572088  0.447556  0.248647  1
  C  C36  1  0.465073  0.693234  0.023886  1
  C  C37  1  0.969216  0.698860  0.027661  1
  C  C38  1  0.151144  0.353420  0.611593  1
  C  C39  1  0.649439  0.349246  0.609036  1
  C  C40  1  0.057840  0.610691  0.474740  1
  C  C41  1  0.556667  0.613095  0.473766  1
  C  C42  1  0.032065  0.438424  0.317314  1
  C  C43  1  0.535985  0.438170  0.318140  1
  C  C44  1  0.423903  0.841099  0.747931  1
  C  C45  1  0.923155  0.840420  0.748647  1
  C  C46  1  0.146214  0.468285  0.682308  1
  C  C47  1  0.648508  0.464603  0.679172  1
  C  C48  1  0.465099  0.560808  0.818140  1
  C  C49  1  0.957867  0.556733  0.817328  1
  C  C50  1  0.992480  0.482776  0.057739  1
  C  C51  1  0.500542  0.484822  0.058174  1
  C  C52  1  0.321212  0.252268  0.430759  1
  C  C53  1  0.821109  0.251819  0.431475  1
  C  C54  1  0.107986  0.523621  0.105978  1
  C  C55  1  0.613514  0.520353  0.109347  1
  C  C56  1  0.066292  0.551851  0.750570  1
  C  C57  1  0.572088  0.551421  0.748647  1
  C  C58  1  0.123739  0.272720  0.317186  1
  C  C59  1  0.623669  0.272712  0.317902  1
  C  C60  1  0.429975  0.247158  0.931475  1
  C  C61  1  0.929794  0.240823  0.928953  1
  C  C62  1  0.123738  0.272721  0.178677  1
  C  C63  1  0.623669  0.272712  0.179392  1
  C  C64  1  0.033247  0.302890  0.973510  1
  C  C65  1  0.536011  0.305743  0.973407  1
  C  C66  1  0.444417  0.385882  0.523528  1
  C  C67  1  0.946488  0.382126  0.521869  1
  C  C68  1  0.112248  0.517535  0.387209  1
  C  C69  1  0.613514  0.520353  0.387947  1
  C  C70  1  0.321211  0.252269  0.065103  1
  C  C71  1  0.821109  0.251819  0.065819  1
  C  C72  1  0.125067  0.505009  0.751489  1
  C  C73  1  0.629606  0.502397  0.748647  1
  C  C74  1  0.037688  0.187427  0.887585  1
  C  C75  1  0.535724  0.189439  0.888214  1
  C  C76  1  0.030055  0.441844  0.178014  1
  C  C77  1  0.535985  0.438170  0.179153  1
  C  C78  1  0.444564  0.526948  0.608692  1
  C  C79  1  0.941696  0.522711  0.607611  1
  C  C80  1  0.465073  0.693234  0.473407  1
  C  C81  1  0.968047  0.693679  0.476838  1
  C  C82  1  0.999035  0.512426  0.558616  1
  C  C83  1  0.500542  0.514156  0.558174  1
  C  C84  1  0.351645  0.349246  0.888258  1
  C  C85  1  0.849568  0.340177  0.884471  1
  C  C86  1  0.465182  0.839072  0.248647  1
  C  C87  1  0.968801  0.842777  0.254053  1
  C  C88  1  0.372928  0.729670  0.388225  1
  C  C89  1  0.875832  0.733540  0.393318  1
  C  C90  1  0.143826  0.467578  0.821155  1
  C  C91  1  0.648508  0.464603  0.818122  1
  C  C92  1  0.444417  0.385882  0.973766  1
  C  C93  1  0.939710  0.379976  0.972716  1
  C  C94  1  0.049775  0.527124  0.889895  1
  C  C95  1  0.556520  0.526948  0.888602  1
  C  C96  1  0.169988  0.389034  0.682397  1
  C  C97  1  0.670243  0.384509  0.679259  1
  C  C98  1  0.444564  0.472029  0.108692  1
  C  C99  1  0.936152  0.471238  0.110050  1
  C  C100  1  0.038945  0.691443  0.475677  1
  C  C101  1  0.536011  0.693234  0.473407  1
  C  C102  1  0.285868  0.339442  0.247932  1
  C  C103  1  0.785902  0.339072  0.248647  1
  C  C104  1  0.994237  0.432882  0.984577  1
  C  C105  1  0.500542  0.438035  0.984894  1
  C  C106  1  0.444564  0.472029  0.388602  1
  C  C107  1  0.942320  0.473655  0.390179  1
  C  C108  1  0.351645  0.649732  0.388258  1
  C  C109  1  0.852903  0.654250  0.392758  1
  C  C110  1  0.430823  0.176860  0.817920  1
  C  C111  1  0.934338  0.171222  0.815051  1
  C  C112  1  0.000700  0.560104  0.485907  1
  C  C113  1  0.500542  0.560942  0.484894  1
  C  C114  1  0.001156  0.436731  0.512274  1
  C  C115  1  0.500542  0.438035  0.512400  1
  C  C116  1  0.330841  0.614468  0.179259  1
  C  C117  1  0.830060  0.621497  0.183891  1
  C  C118  1  0.465182  0.159906  0.748647  1
  C  C119  1  0.970209  0.156022  0.746424  1
  C  C120  1  0.465073  0.305743  0.523886  1
  C  C121  1  0.969504  0.302905  0.522314  1
  C  C122  1  0.465360  0.809538  0.388214  1
  C  C123  1  0.969785  0.811004  0.393115  1
  C  C124  1  0.121197  0.589809  0.064467  1
  C  C125  1  0.613609  0.592132  0.065797  1
  C  C126  1  0.330841  0.384509  0.679259  1
  C  C127  1  0.830739  0.375534  0.675156  1
  C  C128  1  0.373669  0.226265  0.817902  1
  C  C129  1  0.875874  0.218410  0.814059  1
  C  C130  1  0.430823  0.176860  0.679374  1
  C  C131  1  0.936479  0.171965  0.676515  1
  C  C132  1  0.387475  0.592132  0.065797  1
  C  C133  1  0.887650  0.598651  0.071395  1
  C  C134  1  0.387475  0.406845  0.931497  1
  C  C135  1  0.883013  0.398827  0.928629  1
  C  C136  1  0.285735  0.309909  0.108365  1
  C  C137  1  0.785724  0.309538  0.109080  1
  C  C138  1  0.054340  0.470767  0.387789  1
  C  C139  1  0.556520  0.472029  0.388602  1
  C  C140  1  0.051724  0.384177  0.974735  1
  C  C141  1  0.556667  0.385882  0.973766  1
  C  C142  1  0.465099  0.438170  0.179153  1
  C  C143  1  0.958747  0.439642  0.180019  1
  C  C144  1  0.076403  0.248583  0.566267  1
  C  C145  1  0.571109  0.247158  0.565819  1
  C  C146  1  0.423403  0.159234  0.247930  1
  C  C147  1  0.923155  0.158557  0.248647  1
  C  C148  1  0.327929  0.658557  0.248647  1
  C  C149  1  0.828507  0.665186  0.253580  1
  C  C150  1  0.430823  0.822117  0.317920  1
  C  C151  1  0.934751  0.825487  0.323526  1
  C  C152  1  0.420560  0.115139  0.178542  1
  C  C153  1  0.920243  0.114468  0.179259  1
  C  C154  1  0.132134  0.272676  0.610816  1
  C  C155  1  0.628156  0.269307  0.609068  1
  C  C156  1  0.320253  0.322565  0.178658  1
  C  C157  1  0.820261  0.322117  0.179374  1
  C  C158  1  0.378292  0.230248  0.108352  1
  C  C159  1  0.878156  0.229670  0.109068  1
  C  C160  1  0.377484  0.273286  0.317186  1
  C  C161  1  0.877415  0.272712  0.317902  1
  C  C162  1  0.387570  0.520353  0.387947  1
  C  C163  1  0.886355  0.523674  0.390776  1
  C  C164  1  0.040879  0.158847  0.747900  1
  C  C165  1  0.535902  0.159906  0.748647  1
  C  C166  1  0.387570  0.478624  0.887947  1
  C  C167  1  0.881345  0.470744  0.885343  1
  C  C168  1  0.372928  0.269307  0.888225  1
  C  C169  1  0.872911  0.261023  0.884517  1
  C  C170  1  0.349597  0.260129  0.748647  1
  C  C171  1  0.851921  0.251600  0.744433  1
  C  C172  1  0.058662  0.386972  0.524256  1
  C  C173  1  0.556667  0.385882  0.523528  1
  C  C174  1  0.070740  0.246302  0.931928  1
  C  C175  1  0.571109  0.247158  0.931475  1
  C  C176  1  0.465099  0.560808  0.679153  1
  C  C177  1  0.960074  0.557199  0.678585  1
  C  C178  1  0.429975  0.751819  0.431475  1
  C  C179  1  0.933642  0.753720  0.436103  1
  C  C180  1  0.352576  0.534374  0.179172  1
  C  C181  1  0.849198  0.540542  0.182894  1
  C  C182  1  0.387475  0.406845  0.565797  1
  C  C183  1  0.888349  0.400689  0.562995  1
  C  C184  1  0.125640  0.495823  0.247179  1
  C  C185  1  0.629606  0.496581  0.248647  1
  C  C186  1  0.399701  0.150357  0.108320  1
  C  C187  1  0.899439  0.149732  0.109036  1
  C  C188  1  0.401609  0.239477  0.247931  1
  C  C189  1  0.901487  0.238848  0.248647  1
  C  C190  1  0.330841  0.384509  0.818035  1
  C  C191  1  0.828615  0.374789  0.813898  1
  C  C192  1  0.992414  0.510674  0.938676  1
  C  C193  1  0.500542  0.514156  0.939120  1
  C  C194  1  0.444417  0.613095  0.023528  1
  C  C195  1  0.945614  0.616920  0.028930  1
  C  C196  1  0.429975  0.751819  0.065819  1
  C  C197  1  0.932646  0.756601  0.071885  1
  C  C198  1  0.075804  0.177583  0.679443  1
  C  C199  1  0.570261  0.176860  0.679374  1
  C  C200  1  0.465073  0.305743  0.973407  1
  C  C201  1  0.962573  0.300283  0.972075  1
  C  C202  1  0.999390  0.484392  0.439524  1
  C  C203  1  0.500542  0.484822  0.439120  1
  C  C204  1  0.112018  0.481224  0.611772  1
  C  C205  1  0.613514  0.478624  0.609347  1
  C  C206  1  0.040380  0.306015  0.523885  1
  C  C207  1  0.536011  0.305743  0.523886  1
  C  C208  1  0.444564  0.526948  0.888602  1
  C  C209  1  0.936357  0.521849  0.886515  1
  C  C210  1  0.465360  0.189439  0.609080  1
  C  C211  1  0.971729  0.186288  0.607014  1
  C  C212  1  0.429975  0.247158  0.565819  1
  C  C213  1  0.935400  0.242760  0.563254  1
  C  C214  1  0.107284  0.480051  0.890368  1
  C  C215  1  0.613514  0.478624  0.887947  1
  C  C216  1  0.444417  0.613095  0.473766  1
  C  C217  1  0.945669  0.614189  0.476403  1
  C  C218  1  0.373669  0.226265  0.679392  1
  C  C219  1  0.877980  0.219069  0.675545  1
  C  C220  1  0.352576  0.464603  0.818122  1
  C  C221  1  0.847853  0.455691  0.814563  1
  C  C222  1  0.402361  0.760759  0.747931  1
  C  C223  1  0.901487  0.760129  0.748647  1
  C  C224  1  0.399702  0.150355  0.387541  1
  C  C225  1  0.899439  0.149732  0.388258  1
  C  C226  1  0.371478  0.496581  0.248647  1
  C  C227  1  0.867936  0.501443  0.251686  1
  C  C228  1  0.352576  0.534374  0.318122  1
  C  C229  1  0.850833  0.539470  0.321683  1
  C  C230  1  0.352576  0.464603  0.679172  1
  C  C231  1  0.850270  0.456421  0.675775  1
  C  C232  1  0.143705  0.534999  0.178652  1
  C  C233  1  0.648508  0.534374  0.179172  1
  C  C234  1  0.372928  0.269307  0.609068  1
  C  C235  1  0.877104  0.262407  0.605395  1
  C  C236  1  0.387570  0.520353  0.109347  1
  C  C237  1  0.883405  0.525531  0.112558  1
  C  C238  1  0.146734  0.531619  0.317111  1
  C  C239  1  0.648508  0.534374  0.318122  1
  C  C240  1  0.377484  0.273287  0.178676  1
  C  C241  1  0.877415  0.272712  0.179392  1
  C  C242  1  0.378293  0.230246  0.387509  1
  C  C243  1  0.878156  0.229670  0.388225  1
  C  C244  1  0.320253  0.322564  0.317205  1
  C  C245  1  0.820261  0.322117  0.317920  1
  C  C246  1  0.127698  0.271169  0.889914  1
  C  C247  1  0.628156  0.269307  0.888225  1
  C  C248  1  0.428996  0.447556  0.248647  1
  C  C249  1  0.924158  0.450303  0.250408  1
  C  C250  1  0.387570  0.478624  0.609347  1
  C  C251  1  0.886034  0.472225  0.606846  1
  C  C252  1  0.114365  0.409738  0.567844  1
  C  C253  1  0.613609  0.406845  0.565797  1
  C  C254  1  0.420561  0.115139  0.317318  1
  C  C255  1  0.920243  0.114468  0.318035  1
  C  C256  1  0.430823  0.822117  0.179374  1
  C  C257  1  0.933456  0.827620  0.185184  1
  C  C258  1  0.371478  0.502397  0.748647  1
  C  C259  1  0.866949  0.494655  0.745807  1
  C  C260  1  0.327929  0.340420  0.748647  1
  C  C261  1  0.827998  0.330970  0.744274  1
  C  C262  1  0.167650  0.388421  0.821133  1
  C  C263  1  0.670243  0.384509  0.818035  1
  C  C264  1  0.073650  0.176750  0.817974  1
  C  C265  1  0.570261  0.176860  0.817920  1
  C  C266  1  0.351645  0.349246  0.609036  1
  C  C267  1  0.853539  0.341431  0.605224  1
  C  C268  1  0.053704  0.527234  0.610514  1
  C  C269  1  0.556520  0.526948  0.608692  1
  C  C270  1  0.378342  0.726842  0.817186  1
  C  C271  1  0.877415  0.726265  0.817902  1
  C  C272  1  0.465360  0.189439  0.888214  1
  C  C273  1  0.967394  0.184712  0.886118  1
  C  C274  1  0.465099  0.438170  0.318140  1
  C  C275  1  0.961146  0.439846  0.319075  1
  C  C276  1  0.049440  0.475668  0.108041  1
  C  C277  1  0.556520  0.472029  0.108692  1
  C  C278  1  0.285736  0.309907  0.387499  1
  C  C279  1  0.785724  0.309538  0.388214  1
  C  C280  1  0.137829  0.092171  0.430780  1
  C  C281  1  0.637475  0.092132  0.431497  1
  C  C282  1  0.286386  0.061179  0.817423  1
  C  C283  1  0.785985  0.060808  0.818140  1
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