# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.64646876
_cell_length_b   21.81945773
_cell_length_c   48.85981759
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.34373161
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C672
_cell_volume   21635.9526384
_cell_formula_units_Z   672
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  0.691419  0.089744  0.292197  1
  C  C2  1  0.579051  0.047066  0.323601  1
  C  C3  1  0.358086  0.089744  0.292197  1
  C  C4  1  0.245718  0.047066  0.323601  1
  C  C5  1  0.191419  0.589744  0.292197  1
  C  C6  1  0.024752  0.089744  0.292197  1
  C  C7  1  0.079052  0.547066  0.323601  1
  C  C8  1  0.912385  0.047066  0.323601  1
  C  C9  1  0.858086  0.589744  0.292197  1
  C  C10  1  0.745717  0.547066  0.323602  1
  C  C11  1  0.524752  0.589744  0.292197  1
  C  C12  1  0.412385  0.547066  0.323601  1
  C  C13  1  0.829066  0.298271  0.323713  1
  C  C14  1  0.607274  0.339024  0.291901  1
  C  C15  1  0.495733  0.298271  0.323713  1
  C  C16  1  0.273940  0.339024  0.291901  1
  C  C17  1  0.329066  0.798271  0.323713  1
  C  C18  1  0.162400  0.298271  0.323713  1
  C  C19  1  0.107274  0.839024  0.291901  1
  C  C20  1  0.940607  0.339024  0.291901  1
  C  C21  1  0.995733  0.798271  0.323713  1
  C  C22  1  0.773941  0.839024  0.291902  1
  C  C23  1  0.662400  0.798271  0.323713  1
  C  C24  1  0.440607  0.839024  0.291901  1
  C  C25  1  0.774740  0.404750  0.292112  1
  C  C26  1  0.647987  0.318823  0.313967  1
  C  C27  1  0.441406  0.404750  0.292112  1
  C  C28  1  0.314653  0.318822  0.313967  1
  C  C29  1  0.274740  0.904751  0.292112  1
  C  C30  1  0.108073  0.404750  0.292112  1
  C  C31  1  0.147987  0.818822  0.313967  1
  C  C32  1  0.981320  0.318822  0.313967  1
  C  C33  1  0.941406  0.904750  0.292112  1
  C  C34  1  0.814653  0.818822  0.313967  1
  C  C35  1  0.608073  0.904750  0.292112  1
  C  C36  1  0.481320  0.818822  0.313967  1
  C  C37  1  0.731591  0.068283  0.314072  1
  C  C38  1  0.525575  0.155468  0.293045  1
  C  C39  1  0.398258  0.068283  0.314072  1
  C  C40  1  0.192242  0.155467  0.293045  1
  C  C41  1  0.231591  0.568283  0.314072  1
  C  C42  1  0.064924  0.068283  0.314072  1
  C  C43  1  0.025576  0.655468  0.293045  1
  C  C44  1  0.858909  0.155468  0.293045  1
  C  C45  1  0.898258  0.568283  0.314072  1
  C  C46  1  0.692242  0.655467  0.293045  1
  C  C47  1  0.564925  0.568283  0.314072  1
  C  C48  1  0.358909  0.655467  0.293045  1
  C  C49  1  0.810832  0.088218  0.312340  1
  C  C50  1  0.688536  0.025269  0.341362  1
  C  C51  1  0.477499  0.088218  0.312340  1
  C  C52  1  0.355202  0.025269  0.341362  1
  C  C53  1  0.310833  0.588219  0.312340  1
  C  C54  1  0.144166  0.088219  0.312340  1
  C  C55  1  0.188536  0.525268  0.341362  1
  C  C56  1  0.021869  0.025269  0.341362  1
  C  C57  1  0.977499  0.588218  0.312340  1
  C  C58  1  0.855202  0.525268  0.341362  1
  C  C59  1  0.644166  0.588219  0.312340  1
  C  C60  1  0.521869  0.525269  0.341362  1
  C  C61  1  0.727194  0.338696  0.312063  1
  C  C62  1  0.605595  0.277351  0.341638  1
  C  C63  1  0.393861  0.338697  0.312063  1
  C  C64  1  0.272262  0.277351  0.341638  1
  C  C65  1  0.227193  0.838696  0.312063  1
  C  C66  1  0.060527  0.338696  0.312063  1
  C  C67  1  0.105595  0.777351  0.341638  1
  C  C68  1  0.938929  0.277351  0.341638  1
  C  C69  1  0.893860  0.838697  0.312063  1
  C  C70  1  0.772262  0.777351  0.341638  1
  C  C71  1  0.560527  0.838697  0.312063  1
  C  C72  1  0.438929  0.777351  0.341638  1
  C  C73  1  0.756745  0.297532  0.330829  1
  C  C74  1  0.537397  0.328846  0.296423  1
  C  C75  1  0.423412  0.297532  0.330829  1
  C  C76  1  0.204064  0.328846  0.296423  1
  C  C77  1  0.256745  0.797532  0.330829  1
  C  C78  1  0.090078  0.297532  0.330829  1
  C  C79  1  0.037397  0.828846  0.296423  1
  C  C80  1  0.870730  0.328846  0.296423  1
  C  C81  1  0.923412  0.797532  0.330829  1
  C  C82  1  0.704064  0.828846  0.296423  1
  C  C83  1  0.590078  0.797532  0.330829  1
  C  C84  1  0.370730  0.828846  0.296423  1
  C  C85  1  0.839911  0.045962  0.330717  1
  C  C86  1  0.621406  0.079241  0.296608  1
  C  C87  1  0.506577  0.045962  0.330717  1
  C  C88  1  0.288073  0.079241  0.296609  1
  C  C89  1  0.339911  0.545961  0.330717  1
  C  C90  1  0.173244  0.045962  0.330717  1
  C  C91  1  0.121406  0.579241  0.296609  1
  C  C92  1  0.954739  0.079241  0.296609  1
  C  C93  1  0.006577  0.545962  0.330717  1
  C  C94  1  0.788073  0.579241  0.296609  1
  C  C95  1  0.673244  0.545961  0.330717  1
  C  C96  1  0.454739  0.579241  0.296609  1
  C  C97  1  0.797616  0.001140  0.357147  1
  C  C98  1  0.679164  0.947260  0.388903  1
  C  C99  1  0.464283  0.001140  0.357147  1
  C  C100  1  0.345831  0.947260  0.388903  1
  C  C101  1  0.297616  0.501140  0.357147  1
  C  C102  1  0.130950  0.001140  0.357147  1
  C  C103  1  0.179164  0.447260  0.388903  1
  C  C104  1  0.012497  0.947260  0.388903  1
  C  C105  1  0.964283  0.501139  0.357147  1
  C  C106  1  0.845831  0.447259  0.388903  1
  C  C107  1  0.630950  0.501140  0.357147  1
  C  C108  1  0.512497  0.447260  0.388903  1
  C  C109  1  0.930558  0.201678  0.389777  1
  C  C110  1  0.715045  0.254078  0.357624  1
  C  C111  1  0.597225  0.201677  0.389777  1
  C  C112  1  0.381711  0.254078  0.357624  1
  C  C113  1  0.430558  0.701678  0.389777  1
  C  C114  1  0.263892  0.201678  0.389777  1
  C  C115  1  0.215045  0.754078  0.357624  1
  C  C116  1  0.048378  0.254078  0.357624  1
  C  C117  1  0.097225  0.701678  0.389777  1
  C  C118  1  0.881711  0.754078  0.357624  1
  C  C119  1  0.763892  0.701678  0.389777  1
  C  C120  1  0.548378  0.754078  0.357624  1
  C  C121  1  0.864171  0.268082  0.346534  1
  C  C122  1  0.747590  0.219400  0.378965  1
  C  C123  1  0.530838  0.268082  0.346534  1
  C  C124  1  0.414256  0.219400  0.378965  1
  C  C125  1  0.364171  0.768082  0.346534  1
  C  C126  1  0.197505  0.268082  0.346534  1
  C  C127  1  0.247590  0.719400  0.378965  1
  C  C128  1  0.080923  0.219400  0.378965  1
  C  C129  1  0.030838  0.768082  0.346534  1
  C  C130  1  0.914256  0.719400  0.378965  1
  C  C131  1  0.697505  0.768082  0.346534  1
  C  C132  1  0.580923  0.719400  0.378965  1
  C  C133  1  0.829689  0.965352  0.378192  1
  C  C134  1  0.613625  0.015634  0.346152  1
  C  C135  1  0.496355  0.965352  0.378192  1
  C  C136  1  0.280291  0.015634  0.346152  1
  C  C137  1  0.329689  0.465352  0.378192  1
  C  C138  1  0.163022  0.965352  0.378192  1
  C  C139  1  0.113624  0.515634  0.346152  1
  C  C140  1  0.946958  0.015634  0.346152  1
  C  C141  1  0.996355  0.465352  0.378192  1
  C  C142  1  0.780291  0.515634  0.346152  1
  C  C143  1  0.663022  0.465352  0.378192  1
  C  C144  1  0.446958  0.515634  0.346152  1
  C  C145  1  0.904587  0.973345  0.372886  1
  C  C146  1  0.786800  0.920478  0.404470  1
  C  C147  1  0.571253  0.973345  0.372886  1
  C  C148  1  0.453466  0.920478  0.404470  1
  C  C149  1  0.404586  0.473345  0.372887  1
  C  C150  1  0.237920  0.973345  0.372886  1
  C  C151  1  0.286800  0.420478  0.404470  1
  C  C152  1  0.120133  0.920479  0.404470  1
  C  C153  1  0.071253  0.473344  0.372887  1
  C  C154  1  0.953466  0.420478  0.404470  1
  C  C155  1  0.737920  0.473344  0.372887  1
  C  C156  1  0.620133  0.420479  0.404470  1
  C  C157  1  0.822404  0.227196  0.373617  1
  C  C158  1  0.705214  0.175719  0.405564  1
  C  C159  1  0.489071  0.227197  0.373617  1
  C  C160  1  0.371880  0.175719  0.405564  1
  C  C161  1  0.322404  0.727196  0.373617  1
  C  C162  1  0.155738  0.227197  0.373617  1
  C  C163  1  0.205214  0.675719  0.405564  1
  C  C164  1  0.038547  0.175719  0.405564  1
  C  C165  1  0.989071  0.727196  0.373617  1
  C  C166  1  0.871880  0.675719  0.405564  1
  C  C167  1  0.655738  0.727196  0.373617  1
  C  C168  1  0.538547  0.675719  0.405564  1
  C  C169  1  0.855549  0.192995  0.395019  1
  C  C170  1  0.639694  0.244723  0.363007  1
  C  C171  1  0.522215  0.192995  0.395019  1
  C  C172  1  0.306361  0.244723  0.363007  1
  C  C173  1  0.355549  0.692995  0.395019  1
  C  C174  1  0.188882  0.192996  0.395019  1
  C  C175  1  0.139694  0.744723  0.363007  1
  C  C176  1  0.973027  0.244723  0.363007  1
  C  C177  1  0.022216  0.692995  0.395019  1
  C  C178  1  0.806361  0.744723  0.363007  1
  C  C179  1  0.688882  0.692995  0.395019  1
  C  C180  1  0.473027  0.744723  0.363007  1
  C  C181  1  0.937320  0.938184  0.394038  1
  C  C182  1  0.722186  0.991601  0.362474  1
  C  C183  1  0.603987  0.938184  0.394038  1
  C  C184  1  0.388852  0.991601  0.362474  1
  C  C185  1  0.437320  0.438184  0.394038  1
  C  C186  1  0.270653  0.938184  0.394038  1
  C  C187  1  0.222186  0.491601  0.362474  1
  C  C188  1  0.055519  0.991601  0.362474  1
  C  C189  1  0.103987  0.438184  0.394038  1
  C  C190  1  0.888852  0.491601  0.362474  1
  C  C191  1  0.770653  0.438184  0.394038  1
  C  C192  1  0.555519  0.491601  0.362474  1
  C  C193  1  0.893989  0.892953  0.420147  1
  C  C194  1  0.775113  0.837647  0.451118  1
  C  C195  1  0.560655  0.892953  0.420148  1
  C  C196  1  0.441780  0.837648  0.451118  1
  C  C197  1  0.393988  0.392953  0.420147  1
  C  C198  1  0.227322  0.892953  0.420147  1
  C  C199  1  0.275114  0.337648  0.451118  1
  C  C200  1  0.108447  0.837647  0.451118  1
  C  C201  1  0.060655  0.392953  0.420148  1
  C  C202  1  0.941780  0.337648  0.451118  1
  C  C203  1  0.727322  0.392953  0.420147  1
  C  C204  1  0.608447  0.337648  0.451118  1
  C  C205  1  0.027868  0.095251  0.452870  1
  C  C206  1  0.812756  0.149024  0.421471  1
  C  C207  1  0.694535  0.095251  0.452870  1
  C  C208  1  0.479423  0.149025  0.421470  1
  C  C209  1  0.527868  0.595251  0.452870  1
  C  C210  1  0.361201  0.095251  0.452870  1
  C  C211  1  0.312756  0.649024  0.421471  1
  C  C212  1  0.146089  0.149024  0.421471  1
  C  C213  1  0.194535  0.595250  0.452870  1
  C  C214  1  0.979423  0.649025  0.421470  1
  C  C215  1  0.861201  0.595251  0.452870  1
  C  C216  1  0.646089  0.649025  0.421470  1
  C  C217  1  0.963398  0.166752  0.410900  1
  C  C218  1  0.845198  0.113269  0.442430  1
  C  C219  1  0.630064  0.166753  0.410900  1
  C  C220  1  0.511864  0.113270  0.442430  1
  C  C221  1  0.463398  0.666753  0.410900  1
  C  C222  1  0.296731  0.166753  0.410900  1
  C  C223  1  0.345198  0.613270  0.442430  1
  C  C224  1  0.178531  0.113270  0.442430  1
  C  C225  1  0.130064  0.666753  0.410900  1
  C  C226  1  0.011864  0.613269  0.442430  1
  C  C227  1  0.796731  0.666752  0.410900  1
  C  C228  1  0.678531  0.613270  0.442430  1
  C  C229  1  0.926020  0.856237  0.440839  1
  C  C230  1  0.711577  0.911341  0.409758  1
  C  C231  1  0.592687  0.856237  0.440839  1
  C  C232  1  0.378244  0.911341  0.409758  1
  C  C233  1  0.426021  0.356237  0.440839  1
  C  C234  1  0.259354  0.856237  0.440839  1
  C  C235  1  0.211578  0.411342  0.409758  1
  C  C236  1  0.044911  0.911342  0.409758  1
  C  C237  1  0.092687  0.356237  0.440839  1
  C  C238  1  0.878244  0.411342  0.409758  1
  C  C239  1  0.759354  0.356237  0.440839  1
  C  C240  1  0.544911  0.411342  0.409758  1
  C  C241  1  0.001302  0.865451  0.435702  1
  C  C242  1  0.882183  0.809721  0.466598  1
  C  C243  1  0.667968  0.865451  0.435702  1
  C  C244  1  0.548850  0.809721  0.466598  1
  C  C245  1  0.501302  0.365451  0.435702  1
  C  C246  1  0.334635  0.865451  0.435702  1
  C  C247  1  0.382183  0.309721  0.466598  1
  C  C248  1  0.215516  0.809721  0.466598  1
  C  C249  1  0.167969  0.365451  0.435702  1
  C  C250  1  0.048850  0.309722  0.466598  1
  C  C251  1  0.834635  0.365451  0.435702  1
  C  C252  1  0.715516  0.309722  0.466598  1
  C  C253  1  0.920355  0.122194  0.437212  1
  C  C254  1  0.801842  0.067884  0.468510  1
  C  C255  1  0.587022  0.122194  0.437212  1
  C  C256  1  0.468508  0.067884  0.468510  1
  C  C257  1  0.420355  0.622194  0.437212  1
  C  C258  1  0.253688  0.122194  0.437212  1
  C  C259  1  0.301842  0.567884  0.468510  1
  C  C260  1  0.135175  0.067884  0.468510  1
  C  C261  1  0.087022  0.622194  0.437212  1
  C  C262  1  0.968508  0.567884  0.468510  1
  C  C263  1  0.753688  0.622194  0.437212  1
  C  C264  1  0.635175  0.567884  0.468510  1
  C  C265  1  0.952636  0.086126  0.458089  1
  C  C266  1  0.737634  0.140265  0.426665  1
  C  C267  1  0.619302  0.086126  0.458089  1
  C  C268  1  0.404300  0.140264  0.426665  1
  C  C269  1  0.452635  0.586126  0.458089  1
  C  C270  1  0.285969  0.086126  0.458089  1
  C  C271  1  0.237634  0.640264  0.426665  1
  C  C272  1  0.070967  0.140264  0.426665  1
  C  C273  1  0.119302  0.586126  0.458089  1
  C  C274  1  0.904300  0.640264  0.426665  1
  C  C275  1  0.785969  0.586126  0.458089  1
  C  C276  1  0.570967  0.640264  0.426665  1
  C  C277  1  0.033151  0.828374  0.456294  1
  C  C278  1  0.818756  0.883936  0.425271  1
  C  C279  1  0.699817  0.828374  0.456294  1
  C  C280  1  0.485423  0.883936  0.425271  1
  C  C281  1  0.533151  0.328375  0.456294  1
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