# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.64698879
_cell_length_b   20.19865778
_cell_length_c   58.01643653
_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   C560
_cell_volume   23023.4052941
_cell_formula_units_Z   560
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  0.588724  0.429773  0.460406  1
  C  C2  1  0.547378  0.816946  0.336829  1
  C  C3  1  0.725255  0.678213  0.457389  1
  C  C4  1  0.234473  0.247306  0.345774  1
  C  C5  1  0.624939  0.425923  0.348670  1
  C  C6  1  0.804965  0.108094  0.491674  1
  C  C7  1  0.610901  0.316530  0.437661  1
  C  C8  1  0.555860  0.003933  0.313380  1
  C  C9  1  0.645968  0.108022  0.446003  1
  C  C10  1  0.172281  0.608943  0.304456  1
  C  C11  1  0.704753  0.022449  0.313250  1
  C  C12  1  0.547377  0.677667  0.336829  1
  C  C13  1  0.368805  0.925923  0.348670  1
  C  C14  1  0.632609  0.023064  0.324501  1
  C  C15  1  0.302849  0.885335  0.359047  1
  C  C16  1  0.725507  0.108079  0.454537  1
  C  C17  1  0.548679  0.747306  0.477140  1
  C  C18  1  0.467126  0.247306  0.347151  1
  C  C19  1  0.689289  0.023053  0.491559  1
  C  C20  1  0.302849  0.609278  0.359047  1
  C  C21  1  0.632610  0.471548  0.324501  1
  C  C22  1  0.446366  0.316945  0.336829  1
  C  C23  1  0.838816  0.747306  0.475732  1
  C  C24  1  0.414824  0.678829  0.368054  1
  C  C25  1  0.557941  0.816766  0.491571  1
  C  C26  1  0.490028  0.052688  0.315805  1
  C  C27  1  0.247649  0.429691  0.434767  1
  C  C28  1  0.557206  0.111331  0.353882  1
  C  C29  1  0.526617  0.747306  0.347151  1
  C  C30  1  0.268191  0.316386  0.355427  1
  C  C31  1  0.246198  0.929684  0.477461  1
  C  C32  1  0.268191  0.178226  0.355427  1
  C  C33  1  0.288991  0.972163  0.313250  1
  C  C34  1  0.384175  0.522518  0.483258  1
  C  C35  1  0.557206  0.383282  0.353882  1
  C  C36  1  0.247649  0.064922  0.434767  1
  C  C37  1  0.457226  0.747306  0.364753  1
  C  C38  1  0.172281  0.885669  0.304456  1
  C  C39  1  0.446366  0.177667  0.336829  1
  C  C40  1  0.524485  0.607412  0.483370  1
  C  C41  1  0.689289  0.471559  0.491559  1
  C  C42  1  0.503716  0.552688  0.315805  1
  C  C43  1  0.347775  0.886590  0.446003  1
  C  C44  1  0.834332  0.247306  0.491602  1
  C  C45  1  0.725507  0.386533  0.454537  1
  C  C46  1  0.414824  0.815783  0.368054  1
  C  C47  1  0.384175  0.972094  0.483258  1
  C  C48  1  0.503402  0.881167  0.335736  1
  C  C49  1  0.330986  0.678530  0.370820  1
  C  C50  1  0.469258  0.107412  0.483370  1
  C  C51  1  0.704753  0.472163  0.313250  1
  C  C52  1  0.334412  0.247306  0.420600  1
  C  C53  1  0.437884  0.990679  0.313380  1
  C  C54  1  0.469258  0.387200  0.483370  1
  C  C55  1  0.645968  0.386590  0.446003  1
  C  C56  1  0.176277  0.816402  0.477798  1
  C  C57  1  0.555859  0.490680  0.313380  1
  C  C58  1  0.437883  0.503933  0.313380  1
  C  C59  1  0.610901  0.178082  0.437661  1
  C  C60  1  0.159411  0.747306  0.491602  1
  C  C61  1  0.304454  0.523053  0.491559  1
  C  C62  1  0.804965  0.386518  0.491674  1
  C  C63  1  0.624939  0.068689  0.348670  1
  C  C64  1  0.382843  0.678082  0.437661  1
  C  C65  1  0.225441  0.816385  0.454830  1
  C  C66  1  0.176277  0.678210  0.477798  1
  C  C67  1  0.588724  0.064839  0.460406  1
  C  C68  1  0.405019  0.929773  0.460406  1
  C  C69  1  0.305035  0.108085  0.420537  1
  C  C70  1  0.490342  0.381168  0.335736  1
  C  C71  1  0.361133  0.971548  0.324501  1
  C  C72  1  0.435802  0.177846  0.491571  1
  C  C73  1  0.225608  0.567954  0.318860  1
  C  C74  1  0.154927  0.247306  0.475732  1
  C  C75  1  0.654721  0.247306  0.436480  1
  C  C76  1  0.817466  0.316402  0.477798  1
  C  C77  1  0.111103  0.178079  0.474594  1
  C  C78  1  0.231717  0.610758  0.344582  1
  C  C79  1  0.317590  0.178203  0.434407  1
  C  C80  1  0.225677  0.108074  0.457698  1
  C  C81  1  0.268488  0.316399  0.457389  1
  C  C82  1  0.517330  0.386329  0.460464  1
  C  C83  1  0.128650  0.747306  0.306159  1
  C  C84  1  0.476414  0.886329  0.460464  1
  C  C85  1  0.268237  0.886533  0.454537  1
  C  C86  1  0.259131  0.747306  0.445166  1
  C  C87  1  0.361133  0.523064  0.324501  1
  C  C88  1  0.225608  0.926658  0.318860  1
  C  C89  1  0.557941  0.677846  0.491571  1
  C  C90  1  0.747545  0.429684  0.477461  1
  C  C91  1  0.531251  0.177960  0.446417  1
  C  C92  1  0.405019  0.564839  0.460406  1
  C  C93  1  0.536517  0.247306  0.364754  1
  C  C94  1  0.146157  0.108013  0.466251  1
  C  C95  1  0.234823  0.247306  0.467052  1
  C  C96  1  0.382843  0.816530  0.437661  1
  C  C97  1  0.503715  0.941925  0.315805  1
  C  C98  1  0.609568  0.022518  0.483258  1
  C  C99  1  0.747545  0.064929  0.477461  1
  C  C100  1  0.151204  0.677375  0.315353  1
  C  C101  1  0.304454  0.971559  0.491559  1
  C  C102  1  0.490029  0.441924  0.315804  1
  C  C103  1  0.436538  0.611331  0.353882  1
  C  C104  1  0.288991  0.522449  0.313250  1
  C  C105  1  0.524485  0.887200  0.483370  1
  C  C106  1  0.188778  0.608094  0.491674  1
  C  C107  1  0.246198  0.564929  0.477461  1
  C  C108  1  0.436538  0.883282  0.353882  1
  C  C109  1  0.609568  0.472094  0.483258  1
  C  C110  1  0.225441  0.678227  0.454830  1
  C  C111  1  0.462493  0.816653  0.446417  1
  C  C112  1  0.758921  0.747306  0.467052  1
  C  C113  1  0.146157  0.386600  0.466251  1
  C  C114  1  0.493742  0.247306  0.454003  1
  C  C115  1  0.531251  0.316653  0.446417  1
  C  C116  1  0.462493  0.677960  0.446417  1
  C  C117  1  0.578920  0.178828  0.368054  1
  C  C118  1  0.268237  0.608079  0.454537  1
  C  C119  1  0.517330  0.108283  0.460464  1
  C  C120  1  0.578920  0.315784  0.368054  1
  C  C121  1  0.268488  0.178213  0.457389  1
  C  C122  1  0.225677  0.386538  0.457698  1
  C  C123  1  0.317590  0.316409  0.434407  1
  C  C124  1  0.231717  0.883854  0.344582  1
  C  C125  1  0.445064  0.247306  0.477140  1
  C  C126  1  0.476414  0.608283  0.460464  1
  C  C127  1  0.368804  0.568688  0.348670  1
  C  C128  1  0.111103  0.316533  0.474594  1
  C  C129  1  0.817466  0.178210  0.477798  1
  C  C130  1  0.500001  0.747306  0.454003  1
  C  C131  1  0.339022  0.747306  0.436480  1
  C  C132  1  0.330986  0.816082  0.370820  1
  C  C133  1  0.151204  0.817238  0.315353  1
  C  C134  1  0.347775  0.608022  0.446003  1
  C  C135  1  0.503402  0.613445  0.335736  1
  C  C136  1  0.725255  0.816399  0.457389  1
  C  C137  1  0.188778  0.886518  0.491674  1
  C  C138  1  0.435802  0.316766  0.491571  1
  C  C139  1  0.490342  0.113445  0.335736  1
  C  C140  1  0.305035  0.386527  0.420537  1
  C  C141  1  0.088623  0.429771  0.361060  1
  C  C142  1  0.057894  0.816772  0.420756  1
  C  C143  1  0.189631  0.678157  0.342128  1
  C  C144  1  0.734612  0.247306  0.445166  1
  C  C145  1  0.088862  0.429782  0.451871  1
  C  C146  1  0.304955  0.108090  0.392256  1
  C  C147  1  0.110740  0.316529  0.338306  1
  C  C148  1  0.057752  0.011163  0.406477  1
  C  C149  1  0.145828  0.108024  0.346639  1
  C  C150  1  0.688708  0.608085  0.420537  1
  C  C151  1  0.189347  0.023046  0.420691  1
  C  C152  1  0.057894  0.677840  0.420756  1
  C  C153  1  0.904882  0.929782  0.451871  1
  C  C154  1  0.109647  0.022499  0.429016  1
  C  C155  1  0.847586  0.886600  0.466251  1
  C  C156  1  0.225390  0.108080  0.355147  1
  C  C157  1  0.048742  0.747306  0.377834  1
  C  C158  1  0.945151  0.247306  0.435180  1
  C  C159  1  0.189267  0.023054  0.392179  1
  C  C160  1  0.847586  0.608013  0.466251  1
  C  C161  1  0.109647  0.472113  0.429016  1
  C  C162  1  0.935850  0.316772  0.420756  1
  C  C163  1  0.287591  0.747306  0.368801  1
  C  C164  1  0.962323  0.677955  0.465872  1
  C  C165  1  0.057969  0.816763  0.392269  1
  C  C166  1  0.982015  0.056832  0.406495  1
  C  C167  1  0.768135  0.426658  0.318860  1
  C  C168  1  0.017465  0.108272  0.451832  1
  C  C169  1  0.048593  0.747306  0.435180  1
  C  C170  1  0.768303  0.316385  0.454830  1
  C  C171  1  0.746256  0.929684  0.378064  1
  C  C172  1  0.768303  0.178227  0.454830  1
  C  C173  1  0.804396  0.971566  0.420691  1
  C  C174  1  0.884223  0.522521  0.383907  1
  C  C175  1  0.017465  0.386340  0.451832  1
  C  C176  1  0.768136  0.067954  0.318860  1
  C  C177  1  -0.000150  0.747306  0.458302  1
  C  C178  1  0.688708  0.886527  0.420537  1
  C  C179  1  0.935850  0.177840  0.420756  1
  C  C180  1  0.024526  0.607420  0.384056  1
  C  C181  1  0.189267  0.471558  0.392179  1
  C  C182  1  0.011728  0.556832  0.406495  1
  C  C183  1  0.847915  0.886588  0.346639  1
  C  C184  1  0.334328  0.247306  0.392176  1
  C  C185  1  0.225390  0.386533  0.355147  1
  C  C186  1  0.962323  0.816658  0.465872  1
  C  C187  1  0.884223  0.972091  0.383907  1
  C  C188  1  0.024425  0.887213  0.428945  1
  C  C189  1  0.882640  0.678079  0.474594  1
  C  C190  1  0.969217  0.107420  0.384056  1
  C  C191  1  0.189347  0.471566  0.420691  1
  C  C192  1  0.865093  0.247306  0.306159  1
  C  C193  1  0.935991  0.983450  0.406477  1
  C  C194  1  0.969217  0.387192  0.384056  1
  C  C195  1  0.145828  0.386588  0.346639  1
  C  C196  1  0.676321  0.816404  0.378378  1
  C  C197  1  0.057752  0.483450  0.406477  1
  C  C198  1  0.935991  0.511163  0.406477  1
  C  C199  1  0.110740  0.178084  0.338306  1
  C  C200  1  0.659415  0.747306  0.392176  1
  C  C201  1  0.804477  0.523054  0.392179  1
  C  C202  1  0.304955  0.386522  0.392256  1
  C  C203  1  0.088862  0.064830  0.451871  1
  C  C204  1  0.883003  0.678084  0.338306  1
  C  C205  1  0.725553  0.816386  0.355427  1
  C  C206  1  0.676321  0.678208  0.378378  1
  C  C207  1  0.088623  0.064841  0.361060  1
  C  C208  1  0.905121  0.929771  0.361060  1
  C  C209  1  0.821462  0.108943  0.304456  1
  C  C210  1  0.969318  0.387213  0.428945  1
  C  C211  1  0.884096  0.972113  0.429016  1
  C  C212  1  0.935775  0.177850  0.392269  1
  C  C213  1  0.746095  0.564922  0.434767  1
  C  C214  1  0.706152  0.247306  0.368801  1
  C  C215  1  0.154559  0.247306  0.337113  1
  C  C216  1  0.317422  0.316404  0.378378  1
  C  C217  1  0.662757  0.178530  0.370820  1
  C  C218  1  0.768066  0.608074  0.457698  1
  C  C219  1  0.842540  0.177375  0.315353  1
  C  C220  1  0.762026  0.110758  0.344583  1
  C  C221  1  0.804112  0.316455  0.342128  1
  C  C222  1  0.017229  0.386326  0.361137  1
  C  C223  1  0.659331  0.747306  0.420600  1
  C  C224  1  0.976514  0.886326  0.361137  1
  C  C225  1  0.768353  0.886533  0.355147  1
  C  C226  1  0.759270  0.747306  0.345774  1
  C  C227  1  0.884096  0.522499  0.429016  1
  C  C228  1  0.746095  0.929691  0.434767  1
  C  C229  1  0.057969  0.677850  0.392269  1
  C  C230  1  0.247487  0.429684  0.378064  1
  C  C231  1  0.031112  0.177962  0.347085  1
  C  C232  1  0.905121  0.564841  0.361060  1
  C  C233  1  0.993893  0.247306  0.458302  1
  C  C234  1  0.690894  0.109278  0.359047  1
  C  C235  1  0.778543  0.247306  0.353822  1
  C  C236  1  0.883003  0.816529  0.338306  1
  C  C237  1  0.011728  0.937780  0.406495  1
  C  C238  1  0.109520  0.022521  0.383907  1
  C  C239  1  0.247487  0.064928  0.378064  1
  C  C240  1  0.676153  0.678203  0.434407  1
  C  C241  1  0.804477  0.971558  0.392179  1
  C  C242  1  0.982015  0.437780  0.406495  1
  C  C243  1  0.976279  0.608272  0.451832  1
  C  C244  1  0.804396  0.523046  0.420691  1
  C  C245  1  0.024526  0.887192  0.384056  1
  C  C246  1  0.688788  0.608090  0.392256  1
  C  C247  1  0.746256  0.564928  0.378064  1
  C  C248  1  0.976279  0.886340  0.451832  1
  C  C249  1  0.109520  0.472091  0.383907  1
  C  C250  1  0.725553  0.678226  0.355427  1
  C  C251  1  0.962632  0.816650  0.347085  1
  C  C252  1  0.215200  0.747306  0.353822  1
  C  C253  1  0.690894  0.385335  0.359047  1
  C  C254  1  0.993619  0.247306  0.354682  1
  C  C255  1  0.031112  0.316650  0.347085  1
  C  C256  1  0.962632  0.677962  0.347085  1
  C  C257  1  0.031421  0.177955  0.465872  1
  C  C258  1  0.768353  0.608080  0.355147  1
  C  C259  1  0.017229  0.108286  0.361137  1
  C  C260  1  0.031421  0.316658  0.465872  1
  C  C261  1  0.804112  0.178157  0.342128  1
  C  C262  1  0.762026  0.383854  0.344583  1
  C  C263  1  0.842539  0.317238  0.315353  1
  C  C264  1  0.768066  0.886538  0.457698  1
  C  C265  1  0.945001  0.247306  0.377834  1
  C  C266  1  0.976514  0.608286  0.361137  1
  C  C267  1  0.904882  0.564830  0.451871  1
  C  C268  1  0.662757  0.316082  0.370820  1
  C  C269  1  0.317422  0.178208  0.378378  1
  C  C270  1  0.000125  0.747306  0.354682  1
  C  C271  1  0.839184  0.747306  0.337113  1
  C  C272  1  0.882640  0.816533  0.474594  1
  C  C273  1  0.676153  0.816409  0.434407  1
  C  C274  1  0.847915  0.608024  0.346639  1
  C  C275  1  0.024425  0.607399  0.428945  1
  C  C276  1  0.189631  0.816455  0.342128  1
  C  C277  1  0.688788  0.886522  0.392256  1
  C  C278  1  0.935775  0.316763  0.392269  1
  C  C279  1  0.969318  0.107399  0.428945  1
  C  C280  1  0.821462  0.385669  0.304456  1
  C  C281  1  0.607142  0.427126  0.669437  1
  C  C282  1  0.557941  0.816766  0.520058  1
  C  C283  1  0.725709  0.678225  0.655078  1
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