# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.92998773
_cell_length_b   15.87650874
_cell_length_c   46.56546236
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.04685914
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C576
_cell_volume   16888.765401
_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  0.427075  0.319292  0.364621  1
  C  C2  1  0.760409  0.985959  0.364621  1
  C  C3  1  0.806909  0.391858  0.293307  1
  C  C4  1  0.093742  0.652625  0.364621  1
  C  C5  1  0.140242  0.058524  0.293307  1
  C  C6  1  0.106280  0.361413  0.326621  1
  C  C7  1  0.473575  0.725191  0.293307  1
  C  C8  1  0.439613  0.028079  0.326621  1
  C  C9  1  0.772946  0.694746  0.326621  1
  C  C10  1  0.256226  0.534843  0.370334  1
  C  C11  1  0.589559  0.201509  0.370334  1
  C  C12  1  0.623561  0.617542  0.299096  1
  C  C13  1  0.922892  0.868176  0.370334  1
  C  C14  1  0.956894  0.284209  0.299096  1
  C  C15  1  0.944495  0.575287  0.334607  1
  C  C16  1  0.290228  0.950876  0.299096  1
  C  C17  1  0.277828  0.241953  0.334607  1
  C  C18  1  0.611162  0.908620  0.334607  1
  C  C19  1  0.271629  0.338286  0.346397  1
  C  C20  1  0.604963  0.004952  0.346397  1
  C  C21  1  0.584130  0.299068  0.382880  1
  C  C22  1  0.938296  0.671619  0.346397  1
  C  C23  1  0.917464  0.965735  0.382880  1
  C  C24  1  0.954796  0.379485  0.308669  1
  C  C25  1  0.250797  0.632402  0.382880  1
  C  C26  1  0.288129  0.046152  0.308669  1
  C  C27  1  0.621463  0.712819  0.308669  1
  C  C28  1  0.478922  0.636571  0.281436  1
  C  C29  1  0.812255  0.303238  0.281436  1
  C  C30  1  0.770588  0.596613  0.313953  1
  C  C31  1  0.145588  0.969904  0.281436  1
  C  C32  1  0.103921  0.263280  0.313953  1
  C  C33  1  0.098596  0.555521  0.352724  1
  C  C34  1  0.437255  0.929947  0.313953  1
  C  C35  1  0.431930  0.222188  0.352724  1
  C  C36  1  0.765263  0.888854  0.352724  1
  C  C37  1  0.265115  0.586347  0.278513  1
  C  C38  1  0.598448  0.253013  0.278513  1
  C  C39  1  0.614219  0.536947  0.317639  1
  C  C40  1  0.931781  0.919680  0.278513  1
  C  C41  1  0.947552  0.203613  0.317639  1
  C  C42  1  0.932679  0.495644  0.355474  1
  C  C43  1  0.280885  0.870280  0.317639  1
  C  C44  1  0.266012  0.162311  0.355474  1
  C  C45  1  0.599345  0.828978  0.355474  1
  C  C46  1  0.253826  0.357912  0.380141  1
  C  C47  1  0.587159  0.024578  0.380141  1
  C  C48  1  0.617142  0.441239  0.308227  1
  C  C49  1  0.920493  0.691245  0.380141  1
  C  C50  1  0.950475  0.107906  0.308227  1
  C  C51  1  0.937723  0.398706  0.343556  1
  C  C52  1  0.283808  0.774573  0.308227  1
  C  C53  1  0.271056  0.065373  0.343556  1
  C  C54  1  0.604389  0.732039  0.343556  1
  C  C55  1  0.283973  0.418546  0.324766  1
  C  C56  1  0.617306  0.085213  0.324766  1
  C  C57  1  0.592989  0.378713  0.361791  1
  C  C58  1  0.950640  0.751879  0.324766  1
  C  C59  1  0.926322  0.045380  0.361791  1
  C  C60  1  0.966890  0.459404  0.290320  1
  C  C61  1  0.259656  0.712047  0.361791  1
  C  C62  1  0.300223  0.126070  0.290320  1
  C  C63  1  0.633557  0.792737  0.290320  1
  C  C64  1  0.270469  0.517918  0.336027  1
  C  C65  1  0.603802  0.184584  0.336027  1
  C  C66  1  0.588556  0.476092  0.373789  1
  C  C67  1  0.937135  0.851251  0.336027  1
  C  C68  1  0.921890  0.142759  0.373789  1
  C  C69  1  0.964515  0.554545  0.300009  1
  C  C70  1  0.255223  0.809426  0.373789  1
  C  C71  1  0.297848  0.221212  0.300009  1
  C  C72  1  0.631182  0.887879  0.300009  1
  C  C73  1  0.306909  0.391858  0.293307  1
  C  C74  1  0.640242  0.058524  0.293307  1
  C  C75  1  0.606280  0.361413  0.326621  1
  C  C76  1  0.973575  0.725191  0.293307  1
  C  C77  1  0.939613  0.028079  0.326621  1
  C  C78  1  0.927075  0.319292  0.364621  1
  C  C79  1  0.272946  0.694746  0.326621  1
  C  C80  1  0.260409  0.985959  0.364621  1
  C  C81  1  0.593742  0.652625  0.364621  1
  C  C82  1  0.444495  0.575287  0.334607  1
  C  C83  1  0.777828  0.241953  0.334607  1
  C  C84  1  0.756226  0.534843  0.370334  1
  C  C85  1  0.111162  0.908620  0.334607  1
  C  C86  1  0.089559  0.201510  0.370334  1
  C  C87  1  0.123561  0.617542  0.299096  1
  C  C88  1  0.422892  0.868176  0.370334  1
  C  C89  1  0.456894  0.284209  0.299096  1
  C  C90  1  0.790228  0.950876  0.299096  1
  C  C91  1  0.454796  0.379485  0.308669  1
  C  C92  1  0.788129  0.046152  0.308669  1
  C  C93  1  0.771629  0.338286  0.346397  1
  C  C94  1  0.121463  0.712819  0.308669  1
  C  C95  1  0.104963  0.004952  0.346397  1
  C  C96  1  0.084130  0.299068  0.382880  1
  C  C97  1  0.438296  0.671619  0.346397  1
  C  C98  1  0.417464  0.965735  0.382880  1
  C  C99  1  0.750797  0.632402  0.382880  1
  C  C100  1  0.270588  0.596613  0.313953  1
  C  C101  1  0.603921  0.263280  0.313953  1
  C  C102  1  0.598596  0.555521  0.352724  1
  C  C103  1  0.937255  0.929947  0.313953  1
  C  C104  1  0.931930  0.222188  0.352724  1
  C  C105  1  0.978922  0.636571  0.281436  1
  C  C106  1  0.265263  0.888854  0.352724  1
  C  C107  1  0.312255  0.303238  0.281436  1
  C  C108  1  0.645588  0.969904  0.281436  1
  C  C109  1  0.432679  0.495644  0.355474  1
  C  C110  1  0.766012  0.162311  0.355474  1
  C  C111  1  0.765115  0.586347  0.278513  1
  C  C112  1  0.099345  0.828978  0.355474  1
  C  C113  1  0.098448  0.253013  0.278513  1
  C  C114  1  0.114219  0.536947  0.317639  1
  C  C115  1  0.431781  0.919680  0.278513  1
  C  C116  1  0.447552  0.203613  0.317639  1
  C  C117  1  0.780885  0.870280  0.317639  1
  C  C118  1  0.437723  0.398706  0.343556  1
  C  C119  1  0.771056  0.065373  0.343556  1
  C  C120  1  0.753826  0.357912  0.380141  1
  C  C121  1  0.104389  0.732039  0.343556  1
  C  C122  1  0.087159  0.024578  0.380141  1
  C  C123  1  0.117142  0.441239  0.308227  1
  C  C124  1  0.420493  0.691245  0.380141  1
  C  C125  1  0.450475  0.107906  0.308227  1
  C  C126  1  0.783808  0.774573  0.308227  1
  C  C127  1  0.466890  0.459404  0.290320  1
  C  C128  1  0.800223  0.126070  0.290320  1
  C  C129  1  0.783973  0.418546  0.324766  1
  C  C130  1  0.133557  0.792737  0.290320  1
  C  C131  1  0.117306  0.085213  0.324766  1
  C  C132  1  0.092989  0.378713  0.361791  1
  C  C133  1  0.450640  0.751879  0.324766  1
  C  C134  1  0.426322  0.045380  0.361791  1
  C  C135  1  0.759656  0.712047  0.361791  1
  C  C136  1  0.464515  0.554545  0.300009  1
  C  C137  1  0.797848  0.221212  0.300009  1
  C  C138  1  0.770469  0.517918  0.336027  1
  C  C139  1  0.131182  0.887879  0.300009  1
  C  C140  1  0.103802  0.184584  0.336027  1
  C  C141  1  0.088556  0.476092  0.373789  1
  C  C142  1  0.437135  0.851251  0.336027  1
  C  C143  1  0.421890  0.142759  0.373789  1
  C  C144  1  0.755223  0.809426  0.373789  1
  C  C145  1  0.375107  0.196947  0.475933  1
  C  C146  1  0.708440  0.863614  0.475933  1
  C  C147  1  0.743258  0.278532  0.401709  1
  C  C148  1  0.041773  0.530281  0.475933  1
  C  C149  1  0.076592  0.945199  0.401709  1
  C  C150  1  0.059019  0.237676  0.438600  1
  C  C151  1  0.409925  0.611866  0.401709  1
  C  C152  1  0.392353  0.904342  0.438600  1
  C  C153  1  0.725686  0.571009  0.438600  1
  C  C154  1  0.205605  0.412370  0.481943  1
  C  C155  1  0.538938  0.079037  0.481943  1
  C  C156  1  0.573109  0.494211  0.408135  1
  C  C157  1  0.872271  0.745703  0.481943  1
  C  C158  1  0.906443  0.160877  0.408135  1
  C  C159  1  0.889363  0.453383  0.445173  1
  C  C160  1  0.239776  0.827544  0.408135  1
  C  C161  1  0.222696  0.120049  0.445173  1
  C  C162  1  0.556029  0.786716  0.445173  1
  C  C163  1  0.217005  0.217541  0.457366  1
  C  C164  1  0.550338  0.884208  0.457366  1
  C  C165  1  0.533279  0.176491  0.494238  1
  C  C166  1  0.883671  0.550875  0.457366  1
  C  C167  1  0.866612  0.843157  0.494238  1
  C  C168  1  0.900925  0.258268  0.420341  1
  C  C169  1  0.199945  0.509824  0.494238  1
  C  C170  1  0.234258  0.924935  0.420341  1
  C  C171  1  0.567591  0.591601  0.420341  1
  C  C172  1  0.415733  0.514508  0.389649  1
  C  C173  1  0.749066  0.181174  0.389649  1
  C  C174  1  0.731358  0.473631  0.426185  1
  C  C175  1  0.082400  0.847841  0.389649  1
  C  C176  1  0.064691  0.140298  0.426185  1
  C  C177  1  0.047543  0.432895  0.463579  1
  C  C178  1  0.398024  0.806965  0.426185  1
  C  C179  1  0.380876  0.099562  0.463579  1
  C  C180  1  0.714210  0.766228  0.463579  1
  C  C181  1  0.247113  0.455754  0.392095  1
  C  C182  1  0.580446  0.122421  0.392095  1
  C  C183  1  0.563314  0.414534  0.429489  1
  C  C184  1  0.913779  0.789087  0.392095  1
  C  C185  1  0.896647  0.081201  0.429489  1
  C  C186  1  0.879339  0.373959  0.466731  1
  C  C187  1  0.229980  0.747868  0.429489  1
  C  C188  1  0.212672  0.040625  0.466731  1
  C  C189  1  0.546005  0.707292  0.466731  1
  C  C190  1  0.201224  0.235520  0.491431  1
  C  C191  1  0.534557  0.902187  0.491431  1
  C  C192  1  0.568874  0.317163  0.417122  1
  C  C193  1  0.867891  0.568853  0.491431  1
  C  C194  1  0.902207  0.983830  0.417122  1
  C  C195  1  0.885070  0.276532  0.454451  1
  C  C196  1  0.235540  0.650497  0.417122  1
  C  C197  1  0.218403  0.943199  0.454451  1
  C  C198  1  0.551736  0.609865  0.454451  1
  C  C199  1  0.227096  0.296862  0.435742  1
  C  C200  1  0.560429  0.963529  0.435742  1
  C  C201  1  0.543290  0.255916  0.472672  1
  C  C202  1  0.893763  0.630196  0.435742  1
  C  C203  1  0.876623  0.922582  0.472672  1
  C  C204  1  0.910982  0.337736  0.398924  1
  C  C205  1  0.209957  0.589249  0.472672  1
  C  C206  1  0.244316  0.004403  0.398924  1
  C  C207  1  0.577649  0.671070  0.398924  1
  C  C208  1  0.221351  0.394467  0.447873  1
  C  C209  1  0.554684  0.061133  0.447873  1
  C  C210  1  0.537561  0.353290  0.485051  1
  C  C211  1  0.888017  0.727800  0.447873  1
  C  C212  1  0.870895  0.019957  0.485051  1
  C  C213  1  0.905368  0.435078  0.411080  1
  C  C214  1  0.204228  0.686624  0.485051  1
  C  C215  1  0.238701  0.101745  0.411080  1
  C  C216  1  0.572034  0.768412  0.411080  1
  C  C217  1  0.243258  0.278532  0.401709  1
  C  C218  1  0.576592  0.945199  0.401709  1
  C  C219  1  0.559019  0.237676  0.438600  1
  C  C220  1  0.909925  0.611866  0.401709  1
  C  C221  1  0.892353  0.904342  0.438600  1
  C  C222  1  0.875107  0.196947  0.475933  1
  C  C223  1  0.225686  0.571009  0.438600  1
  C  C224  1  0.208440  0.863614  0.475933  1
  C  C225  1  0.541773  0.530281  0.475933  1
  C  C226  1  0.389363  0.453383  0.445173  1
  C  C227  1  0.722696  0.120049  0.445173  1
  C  C228  1  0.705605  0.412370  0.481943  1
  C  C229  1  0.056029  0.786716  0.445173  1
  C  C230  1  0.038938  0.079037  0.481943  1
  C  C231  1  0.073109  0.494211  0.408135  1
  C  C232  1  0.372271  0.745703  0.481943  1
  C  C233  1  0.406443  0.160877  0.408135  1
  C  C234  1  0.739776  0.827544  0.408135  1
  C  C235  1  0.400925  0.258268  0.420341  1
  C  C236  1  0.734258  0.924935  0.420341  1
  C  C237  1  0.717005  0.217541  0.457366  1
  C  C238  1  0.067591  0.591601  0.420341  1
  C  C239  1  0.050338  0.884208  0.457366  1
  C  C240  1  0.033279  0.176491  0.494238  1
  C  C241  1  0.383671  0.550875  0.457366  1
  C  C242  1  0.366612  0.843157  0.494238  1
  C  C243  1  0.699945  0.509824  0.494238  1
  C  C244  1  0.231358  0.473631  0.426185  1
  C  C245  1  0.564691  0.140298  0.426185  1
  C  C246  1  0.547543  0.432895  0.463579  1
  C  C247  1  0.898024  0.806965  0.426185  1
  C  C248  1  0.880876  0.099562  0.463579  1
  C  C249  1  0.915733  0.514508  0.389649  1
  C  C250  1  0.214210  0.766228  0.463579  1
  C  C251  1  0.249066  0.181174  0.389649  1
  C  C252  1  0.582400  0.847841  0.389649  1
  C  C253  1  0.379339  0.373959  0.466731  1
  C  C254  1  0.712672  0.040625  0.466731  1
  C  C255  1  0.747113  0.455754  0.392095  1
  C  C256  1  0.046005  0.707292  0.466731  1
  C  C257  1  0.080446  0.122421  0.392095  1
  C  C258  1  0.063314  0.414534  0.429489  1
  C  C259  1  0.413779  0.789087  0.392095  1
  C  C260  1  0.396647  0.081201  0.429489  1
  C  C261  1  0.729980  0.747868  0.429489  1
  C  C262  1  0.385070  0.276532  0.454451  1
  C  C263  1  0.718403  0.943199  0.454451  1
  C  C264  1  0.701224  0.235520  0.491431  1
  C  C265  1  0.051736  0.609865  0.454451  1
  C  C266  1  0.034557  0.902187  0.491431  1
  C  C267  1  0.068874  0.317163  0.417122  1
  C  C268  1  0.367891  0.568853  0.491431  1
  C  C269  1  0.402207  0.983830  0.417122  1
  C  C270  1  0.735540  0.650497  0.417122  1
  C  C271  1  0.410982  0.337736  0.398924  1
  C  C272  1  0.744316  0.004403  0.398924  1
  C  C273  1  0.727096  0.296862  0.435742  1
  C  C274  1  0.077649  0.671070  0.398924  1
  C  C275  1  0.060429  0.963529  0.435742  1
  C  C276  1  0.043290  0.255916  0.472672  1
  C  C277  1  0.393763  0.630196  0.435742  1
  C  C278  1  0.376623  0.922582  0.472672  1
  C  C279  1  0.709957  0.589249  0.472672  1
  C  C280  1  0.405368  0.435078  0.411080  1
  C  C281  1  0.738701  0.101745  0.411080  1
  C  C282  1  0.721351  0.394467  0.447873  1
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