# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.57318698
_cell_length_b   19.37303293
_cell_length_c   48.78748495
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.55877930
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C576
_cell_volume   18179.8950271
_cell_formula_units_Z   576
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  0.354463  0.734167  0.329869  1
  C  C2  1  0.021130  0.734167  0.329869  1
  C  C3  1  0.919409  0.433941  0.292504  1
  C  C4  1  0.969437  0.332981  0.311387  1
  C  C5  1  0.687797  0.734167  0.329869  1
  C  C6  1  0.586075  0.433941  0.292504  1
  C  C7  1  0.636103  0.332981  0.311387  1
  C  C8  1  0.687797  0.234167  0.329869  1
  C  C9  1  0.586075  0.933941  0.292504  1
  C  C10  1  0.252742  0.433941  0.292504  1
  C  C11  1  0.302770  0.332981  0.311387  1
  C  C12  1  0.354463  0.234167  0.329869  1
  C  C13  1  0.252742  0.933941  0.292504  1
  C  C14  1  0.302770  0.832981  0.311387  1
  C  C15  1  0.021130  0.234167  0.329869  1
  C  C16  1  0.919409  0.933941  0.292504  1
  C  C17  1  0.969437  0.832981  0.311387  1
  C  C18  1  0.636103  0.832981  0.311387  1
  C  C19  1  0.431256  0.799286  0.317689  1
  C  C20  1  0.097922  0.799286  0.317689  1
  C  C21  1  0.997130  0.495110  0.281064  1
  C  C22  1  0.046691  0.400520  0.298755  1
  C  C23  1  0.764589  0.799286  0.317689  1
  C  C24  1  0.663797  0.495110  0.281064  1
  C  C25  1  0.713358  0.400520  0.298755  1
  C  C26  1  0.764589  0.299286  0.317689  1
  C  C27  1  0.663797  0.995110  0.281064  1
  C  C28  1  0.330463  0.495110  0.281064  1
  C  C29  1  0.380025  0.400520  0.298755  1
  C  C30  1  0.431256  0.299286  0.317689  1
  C  C31  1  0.330463  0.995110  0.281064  1
  C  C32  1  0.380025  0.900520  0.298755  1
  C  C33  1  0.097922  0.299286  0.317689  1
  C  C34  1  0.997130  0.995110  0.281064  1
  C  C35  1  0.046691  0.900520  0.298755  1
  C  C36  1  0.713358  0.900520  0.298755  1
  C  C37  1  0.446130  0.883727  0.301896  1
  C  C38  1  0.112797  0.883727  0.301896  1
  C  C39  1  0.162387  0.783668  0.320610  1
  C  C40  1  0.055322  0.478835  0.284108  1
  C  C41  1  0.779463  0.883727  0.301896  1
  C  C42  1  0.829053  0.783668  0.320610  1
  C  C43  1  0.721989  0.478835  0.284108  1
  C  C44  1  0.779463  0.383727  0.301896  1
  C  C45  1  0.829053  0.283668  0.320610  1
  C  C46  1  0.495720  0.783668  0.320610  1
  C  C47  1  0.388655  0.478835  0.284108  1
  C  C48  1  0.446130  0.383727  0.301896  1
  C  C49  1  0.495720  0.283668  0.320610  1
  C  C50  1  0.388655  0.978835  0.284108  1
  C  C51  1  0.112797  0.383727  0.301896  1
  C  C52  1  0.162387  0.283668  0.320610  1
  C  C53  1  0.055322  0.978835  0.284108  1
  C  C54  1  0.721989  0.978835  0.284108  1
  C  C55  1  0.290158  0.750584  0.326798  1
  C  C56  1  0.956825  0.750584  0.326798  1
  C  C57  1  0.854162  0.443491  0.290718  1
  C  C58  1  0.905808  0.348822  0.308424  1
  C  C59  1  0.623492  0.750584  0.326798  1
  C  C60  1  0.520829  0.443491  0.290718  1
  C  C61  1  0.572474  0.348822  0.308424  1
  C  C62  1  0.623492  0.250584  0.326798  1
  C  C63  1  0.520829  0.943491  0.290718  1
  C  C64  1  0.187496  0.443491  0.290718  1
  C  C65  1  0.239141  0.348822  0.308424  1
  C  C66  1  0.290158  0.250584  0.326798  1
  C  C67  1  0.187496  0.943491  0.290718  1
  C  C68  1  0.239141  0.848822  0.308424  1
  C  C69  1  0.956825  0.250584  0.326798  1
  C  C70  1  0.854162  0.943491  0.290718  1
  C  C71  1  0.905808  0.848822  0.308424  1
  C  C72  1  0.572474  0.848822  0.308424  1
  C  C73  1  0.506718  0.936746  0.385496  1
  C  C74  1  0.173385  0.936746  0.385496  1
  C  C75  1  0.071801  0.634875  0.348440  1
  C  C76  1  0.122626  0.535814  0.366967  1
  C  C77  1  0.840052  0.936746  0.385496  1
  C  C78  1  0.738467  0.634875  0.348440  1
  C  C79  1  0.789293  0.535814  0.366967  1
  C  C80  1  0.840052  0.436746  0.385496  1
  C  C81  1  0.738467  0.134875  0.348440  1
  C  C82  1  0.405134  0.634875  0.348440  1
  C  C83  1  0.455960  0.535814  0.366967  1
  C  C84  1  0.506718  0.436746  0.385496  1
  C  C85  1  0.405134  0.134875  0.348440  1
  C  C86  1  0.455960  0.035814  0.366967  1
  C  C87  1  0.173385  0.436746  0.385496  1
  C  C88  1  0.071801  0.134875  0.348440  1
  C  C89  1  0.122626  0.035814  0.366967  1
  C  C90  1  0.789293  0.035814  0.366967  1
  C  C91  1  0.583900  0.002818  0.373139  1
  C  C92  1  0.250567  0.002818  0.373139  1
  C  C93  1  0.148923  0.700622  0.336143  1
  C  C94  1  0.199789  0.601846  0.354617  1
  C  C95  1  0.917234  0.002818  0.373139  1
  C  C96  1  0.815589  0.700622  0.336143  1
  C  C97  1  0.866456  0.601846  0.354617  1
  C  C98  1  0.917234  0.502818  0.373139  1
  C  C99  1  0.815589  0.200622  0.336143  1
  C  C100  1  0.482256  0.700622  0.336143  1
  C  C101  1  0.533122  0.601846  0.354617  1
  C  C102  1  0.583900  0.502818  0.373139  1
  C  C103  1  0.482256  0.200622  0.336143  1
  C  C104  1  0.533122  0.101846  0.354617  1
  C  C105  1  0.250567  0.502818  0.373139  1
  C  C106  1  0.148923  0.200622  0.336143  1
  C  C107  1  0.199789  0.101846  0.354617  1
  C  C108  1  0.866456  0.101846  0.354617  1
  C  C109  1  0.597272  0.085385  0.357696  1
  C  C110  1  0.263938  0.085385  0.357696  1
  C  C111  1  0.314652  0.986258  0.376236  1
  C  C112  1  0.213128  0.684460  0.339166  1
  C  C113  1  0.930605  0.085385  0.357696  1
  C  C114  1  0.981318  0.986258  0.376236  1
  C  C115  1  0.879795  0.684460  0.339166  1
  C  C116  1  0.930605  0.585385  0.357696  1
  C  C117  1  0.981318  0.486258  0.376236  1
  C  C118  1  0.647985  0.986258  0.376236  1
  C  C119  1  0.546462  0.684460  0.339166  1
  C  C120  1  0.597272  0.585385  0.357696  1
  C  C121  1  0.647985  0.486258  0.376236  1
  C  C122  1  0.546462  0.184460  0.339166  1
  C  C123  1  0.263938  0.585385  0.357696  1
  C  C124  1  0.314652  0.486258  0.376236  1
  C  C125  1  0.213128  0.184460  0.339166  1
  C  C126  1  0.879795  0.184460  0.339166  1
  C  C127  1  0.442620  0.953292  0.382402  1
  C  C128  1  0.109287  0.953292  0.382402  1
  C  C129  1  0.007691  0.651353  0.345358  1
  C  C130  1  0.058499  0.552282  0.363887  1
  C  C131  1  0.775954  0.953292  0.382402  1
  C  C132  1  0.674358  0.651353  0.345358  1
  C  C133  1  0.725165  0.552282  0.363887  1
  C  C134  1  0.775954  0.453292  0.382402  1
  C  C135  1  0.674358  0.151353  0.345358  1
  C  C136  1  0.341025  0.651353  0.345358  1
  C  C137  1  0.391832  0.552282  0.363887  1
  C  C138  1  0.442620  0.453292  0.382402  1
  C  C139  1  0.341025  0.151353  0.345358  1
  C  C140  1  0.391832  0.052282  0.363887  1
  C  C141  1  0.109287  0.453292  0.382402  1
  C  C142  1  0.007691  0.151353  0.345358  1
  C  C143  1  0.058499  0.052282  0.363887  1
  C  C144  1  0.725165  0.052282  0.363887  1
  C  C145  1  0.658955  0.139556  0.441081  1
  C  C146  1  0.325622  0.139556  0.441081  1
  C  C147  1  0.224121  0.837667  0.404027  1
  C  C148  1  0.274876  0.738613  0.422554  1
  C  C149  1  0.992288  0.139556  0.441081  1
  C  C150  1  0.890788  0.837667  0.404027  1
  C  C151  1  0.941542  0.738613  0.422554  1
  C  C152  1  0.992288  0.639556  0.441081  1
  C  C153  1  0.890788  0.337667  0.404027  1
  C  C154  1  0.557455  0.837667  0.404027  1
  C  C155  1  0.608209  0.738613  0.422554  1
  C  C156  1  0.658955  0.639556  0.441081  1
  C  C157  1  0.557455  0.337667  0.404027  1
  C  C158  1  0.608209  0.238613  0.422554  1
  C  C159  1  0.325622  0.639556  0.441081  1
  C  C160  1  0.224121  0.337667  0.404027  1
  C  C161  1  0.274876  0.238613  0.422554  1
  C  C162  1  0.941542  0.238613  0.422554  1
  C  C163  1  0.736167  0.205667  0.428716  1
  C  C164  1  0.402834  0.205667  0.428716  1
  C  C165  1  0.301327  0.903754  0.391667  1
  C  C166  1  0.352086  0.804718  0.410190  1
  C  C167  1  0.069500  0.205667  0.428716  1
  C  C168  1  0.967994  0.903754  0.391667  1
  C  C169  1  0.018752  0.804718  0.410190  1
  C  C170  1  0.069500  0.705667  0.428716  1
  C  C171  1  0.967994  0.403754  0.391667  1
  C  C172  1  0.634660  0.903754  0.391667  1
  C  C173  1  0.685419  0.804718  0.410190  1
  C  C174  1  0.736167  0.705667  0.428716  1
  C  C175  1  0.634660  0.403754  0.391667  1
  C  C176  1  0.685419  0.304718  0.410190  1
  C  C177  1  0.402834  0.705667  0.428716  1
  C  C178  1  0.301327  0.403754  0.391667  1
  C  C179  1  0.352086  0.304718  0.410190  1
  C  C180  1  0.018752  0.304718  0.410190  1
  C  C181  1  0.749504  0.288145  0.413290  1
  C  C182  1  0.416171  0.288145  0.413290  1
  C  C183  1  0.466913  0.189082  0.431818  1
  C  C184  1  0.365423  0.887205  0.394762  1
  C  C185  1  0.082837  0.288145  0.413290  1
  C  C186  1  0.133579  0.189082  0.431818  1
  C  C187  1  0.032090  0.887205  0.394762  1
  C  C188  1  0.082837  0.788145  0.413290  1
  C  C189  1  0.133579  0.689082  0.431818  1
  C  C190  1  0.800246  0.189082  0.431818  1
  C  C191  1  0.698757  0.887205  0.394762  1
  C  C192  1  0.749504  0.788145  0.413290  1
  C  C193  1  0.800246  0.689082  0.431818  1
  C  C194  1  0.698757  0.387205  0.394762  1
  C  C195  1  0.416171  0.788145  0.413290  1
  C  C196  1  0.466913  0.689082  0.431818  1
  C  C197  1  0.365423  0.387205  0.394762  1
  C  C198  1  0.032090  0.387205  0.394762  1
  C  C199  1  0.594874  0.156138  0.437979  1
  C  C200  1  0.261541  0.156138  0.437979  1
  C  C201  1  0.160042  0.854249  0.400926  1
  C  C202  1  0.210792  0.755188  0.419454  1
  C  C203  1  0.928207  0.156138  0.437979  1
  C  C204  1  0.826709  0.854249  0.400926  1
  C  C205  1  0.877458  0.755188  0.419454  1
  C  C206  1  0.928207  0.656138  0.437979  1
  C  C207  1  0.826709  0.354249  0.400926  1
  C  C208  1  0.493376  0.854249  0.400926  1
  C  C209  1  0.544125  0.755188  0.419454  1
  C  C210  1  0.594874  0.656138  0.437979  1
  C  C211  1  0.493376  0.354249  0.400926  1
  C  C212  1  0.544125  0.255188  0.419454  1
  C  C213  1  0.261541  0.656138  0.437979  1
  C  C214  1  0.160042  0.354249  0.400926  1
  C  C215  1  0.210792  0.255188  0.419454  1
  C  C216  1  0.877458  0.255188  0.419454  1
  C  C217  1  0.811190  0.342387  0.496661  1
  C  C218  1  0.477857  0.342387  0.496661  1
  C  C219  1  0.376366  0.040498  0.459608  1
  C  C220  1  0.427112  0.941442  0.478135  1
  C  C221  1  0.144524  0.342387  0.496661  1
  C  C222  1  0.043032  0.040498  0.459608  1
  C  C223  1  0.093778  0.941442  0.478135  1
  C  C224  1  0.144524  0.842387  0.496661  1
  C  C225  1  0.043032  0.540498  0.459608  1
  C  C226  1  0.709699  0.040498  0.459608  1
  C  C227  1  0.760445  0.941442  0.478135  1
  C  C228  1  0.811190  0.842387  0.496661  1
  C  C229  1  0.709699  0.540498  0.459608  1
  C  C230  1  0.760445  0.441442  0.478135  1
  C  C231  1  0.477857  0.842387  0.496661  1
  C  C232  1  0.376366  0.540498  0.459608  1
  C  C233  1  0.427112  0.441442  0.478135  1
  C  C234  1  0.093778  0.441442  0.478135  1
  C  C235  1  0.888405  0.408501  0.484296  1
  C  C236  1  0.555072  0.408501  0.484296  1
  C  C237  1  0.453580  0.106610  0.447243  1
  C  C238  1  0.504326  0.007556  0.465769  1
  C  C239  1  0.221738  0.408501  0.484296  1
  C  C240  1  0.120247  0.106610  0.447243  1
  C  C241  1  0.170993  0.007556  0.465769  1
  C  C242  1  0.221738  0.908501  0.484296  1
  C  C243  1  0.120247  0.606610  0.447243  1
  C  C244  1  0.786913  0.106610  0.447243  1
  C  C245  1  0.837660  0.007556  0.465769  1
  C  C246  1  0.888405  0.908501  0.484296  1
  C  C247  1  0.786913  0.606610  0.447243  1
  C  C248  1  0.837660  0.507556  0.465769  1
  C  C249  1  0.555072  0.908501  0.484296  1
  C  C250  1  0.453580  0.606610  0.447243  1
  C  C251  1  0.504326  0.507556  0.465769  1
  C  C252  1  0.170993  0.507556  0.465769  1
  C  C253  1  0.901739  0.490971  0.468871  1
  C  C254  1  0.568406  0.490971  0.468871  1
  C  C255  1  0.619151  0.391914  0.487398  1
  C  C256  1  0.517661  0.090027  0.450344  1
  C  C257  1  0.235073  0.490971  0.468871  1
  C  C258  1  0.285817  0.391914  0.487398  1
  C  C259  1  0.184327  0.090027  0.450344  1
  C  C260  1  0.235073  0.990971  0.468871  1
  C  C261  1  0.285817  0.891914  0.487398  1
  C  C262  1  0.952484  0.391914  0.487398  1
  C  C263  1  0.850994  0.090027  0.450344  1
  C  C264  1  0.901739  0.990971  0.468871  1
  C  C265  1  0.952484  0.891914  0.487398  1
  C  C266  1  0.850994  0.590027  0.450344  1
  C  C267  1  0.568406  0.990971  0.468871  1
  C  C268  1  0.619151  0.891914  0.487398  1
  C  C269  1  0.517661  0.590027  0.450344  1
  C  C270  1  0.184327  0.590027  0.450344  1
  C  C271  1  0.747111  0.358972  0.493559  1
  C  C272  1  0.413778  0.358972  0.493559  1
  C  C273  1  0.312287  0.057084  0.456506  1
  C  C274  1  0.363032  0.958028  0.475033  1
  C  C275  1  0.080444  0.358972  0.493559  1
  C  C276  1  0.978954  0.057084  0.456506  1
  C  C277  1  0.029699  0.958028  0.475033  1
  C  C278  1  0.080444  0.858972  0.493559  1
  C  C279  1  0.978954  0.557084  0.456506  1
  C  C280  1  0.645620  0.057084  0.456506  1
  C  C281  1  0.696366  0.958028  0.475033  1
  C  C282  1  0.747111  0.858972  0.493559  1
  C  C283  1  0.645620  0.557084  0.456506  1
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  C  C574  1  0.921287  0.368163  0.678874  1
  C  C575  1  0.970877  0.268105  0.697588  1
  C  C576  1  0.637544  0.268105  0.697588  1
