# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.32735060
_cell_length_b   19.51260417
_cell_length_c   20.14031722
_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   9167.41639373
_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  0.390997  0.594897  0.435162  1
  C  C2  1  0.887323  0.593111  0.431625  1
  C  C3  1  0.035783  0.561705  0.818243  1
  C  C4  1  0.537731  0.560927  0.820765  1
  C  C5  1  0.372912  0.725124  0.677268  1
  C  C6  1  0.877180  0.726601  0.679479  1
  C  C7  1  0.099743  0.242069  0.246532  1
  C  C8  1  0.599461  0.240068  0.248747  1
  C  C9  1  0.113384  0.593111  0.431625  1
  C  C10  1  0.616908  0.590743  0.433029  1
  C  C11  1  0.965184  0.810869  0.109153  1
  C  C12  1  0.335086  0.619294  0.321569  1
  C  C13  1  0.830707  0.615486  0.318147  1
  C  C14  1  0.000353  0.561865  0.012492  1
  C  C15  1  0.500617  0.561583  0.014597  1
  C  C16  1  0.356333  0.654071  0.112968  1
  C  C17  1  0.851506  0.650807  0.109112  1
  C  C18  1  0.035522  0.189718  0.609153  1
  C  C19  1  0.535681  0.188874  0.611610  1
  C  C20  1  0.035809  0.694376  0.023949  1
  C  C21  1  0.536797  0.694200  0.026793  1
  C  C22  1  0.035783  0.561705  0.679251  1
  C  C23  1  0.538356  0.560882  0.681757  1
  C  C24  1  0.113384  0.407477  0.931625  1
  C  C25  1  0.613491  0.405848  0.934565  1
  C  C26  1  0.056457  0.614108  0.023602  1
  C  C27  1  0.556767  0.614849  0.026573  1
  C  C28  1  0.149200  0.349780  0.888382  1
  C  C29  1  0.649117  0.347775  0.891570  1
  C  C30  1  0.379484  0.734504  0.109087  1
  C  C31  1  0.872785  0.730873  0.109142  1
  C  C32  1  0.430937  0.552430  0.750511  1
  C  C33  1  0.928819  0.552297  0.748747  1
  C  C34  1  0.071887  0.448290  0.248747  1
  C  C35  1  0.572535  0.446770  0.250468  1
  C  C36  1  0.465265  0.695448  0.021563  1
  C  C37  1  0.964897  0.694376  0.023949  1
  C  C38  1  0.149200  0.349780  0.609112  1
  C  C39  1  0.650455  0.347782  0.612301  1
  C  C40  1  0.056457  0.614108  0.473891  1
  C  C41  1  0.560571  0.612699  0.475929  1
  C  C42  1  0.035783  0.438882  0.318243  1
  C  C43  1  0.536757  0.437943  0.320259  1
  C  C44  1  0.419646  0.838877  0.746539  1
  C  C45  1  0.922909  0.840938  0.748747  1
  C  C46  1  0.148277  0.465326  0.679262  1
  C  C47  1  0.650110  0.463317  0.682464  1
  C  C48  1  0.466883  0.561455  0.820161  1
  C  C49  1  0.964923  0.561705  0.818243  1
  C  C50  1  0.000353  0.485624  0.058273  1
  C  C51  1  0.500299  0.485136  0.060481  1
  C  C52  1  0.321285  0.252265  0.429384  1
  C  C53  1  0.820895  0.253057  0.431608  1
  C  C54  1  0.113293  0.521215  0.109426  1
  C  C55  1  0.613684  0.519595  0.110805  1
  C  C56  1  0.071887  0.552297  0.748747  1
  C  C57  1  0.574062  0.551123  0.751486  1
  C  C58  1  0.124109  0.275683  0.315798  1
  C  C59  1  0.623526  0.273986  0.318014  1
  C  C60  1  0.428816  0.247737  0.933398  1
  C  C61  1  0.929811  0.247530  0.931608  1
  C  C62  1  0.124104  0.275680  0.177262  1
  C  C63  1  0.623526  0.273986  0.179479  1
  C  C64  1  0.035809  0.306211  0.973545  1
  C  C65  1  0.534994  0.305379  0.975968  1
  C  C66  1  0.446199  0.386471  0.525546  1
  C  C67  1  0.944250  0.386479  0.523602  1
  C  C68  1  0.113293  0.521215  0.388068  1
  C  C69  1  0.615733  0.518820  0.389504  1
  C  C70  1  0.321275  0.252258  0.063661  1
  C  C71  1  0.820895  0.253057  0.065885  1
  C  C72  1  0.129380  0.503187  0.748747  1
  C  C73  1  0.631173  0.501378  0.751831  1
  C  C74  1  0.035522  0.189718  0.888340  1
  C  C75  1  0.534325  0.188863  0.890799  1
  C  C76  1  0.035783  0.438882  0.179251  1
  C  C77  1  0.535829  0.438057  0.181306  1
  C  C78  1  0.447052  0.527645  0.610759  1
  C  C79  1  0.944386  0.527774  0.608787  1
  C  C80  1  0.470101  0.694672  0.477070  1
  C  C81  1  0.964897  0.694376  0.473545  1
  C  C82  1  0.000353  0.514964  0.558273  1
  C  C83  1  0.503185  0.514391  0.560596  1
  C  C84  1  0.351419  0.350732  0.889677  1
  C  C85  1  0.851506  0.349780  0.888382  1
  C  C86  1  0.469354  0.846672  0.253198  1
  C  C87  1  0.965006  0.840452  0.248747  1
  C  C88  1  0.378247  0.733145  0.392844  1
  C  C89  1  0.872785  0.730873  0.388351  1
  C  C90  1  0.148277  0.465326  0.818232  1
  C  C91  1  0.649429  0.463333  0.821453  1
  C  C92  1  0.443968  0.386532  0.975891  1
  C  C93  1  0.944250  0.386479  0.973891  1
  C  C94  1  0.056321  0.527774  0.888707  1
  C  C95  1  0.557689  0.526902  0.891432  1
  C  C96  1  0.170000  0.385101  0.679346  1
  C  C97  1  0.671206  0.382854  0.682672  1
  C  C98  1  0.444413  0.473070  0.111306  1
  C  C99  1  0.944386  0.472813  0.108787  1
  C  C100  1  0.035809  0.694376  0.473545  1
  C  C101  1  0.540998  0.693309  0.475931  1
  C  C102  1  0.286859  0.340095  0.246522  1
  C  C103  1  0.785700  0.340452  0.248747  1
  C  C104  1  0.000353  0.438722  0.985002  1
  C  C105  1  0.500402  0.438256  0.987280  1
  C  C106  1  0.446278  0.473707  0.391442  1
  C  C107  1  0.944386  0.472813  0.388707  1
  C  C108  1  0.355900  0.653587  0.392239  1
  C  C109  1  0.851506  0.650807  0.388382  1
  C  C110  1  0.429726  0.177302  0.819825  1
  C  C111  1  0.930660  0.177117  0.818033  1
  C  C112  1  0.000353  0.561865  0.485002  1
  C  C113  1  0.503881  0.561425  0.487410  1
  C  C114  1  0.000353  0.438722  0.512492  1
  C  C115  1  0.502673  0.438208  0.514733  1
  C  C116  1  0.335237  0.619689  0.182770  1
  C  C117  1  0.830707  0.615486  0.179346  1
  C  C118  1  0.464286  0.159974  0.750761  1
  C  C119  1  0.965006  0.160136  0.748747  1
  C  C120  1  0.466309  0.306010  0.525980  1
  C  C121  1  0.964897  0.306211  0.523949  1
  C  C122  1  0.471078  0.812431  0.393190  1
  C  C123  1  0.965184  0.810869  0.388340  1
  C  C124  1  0.113384  0.593111  0.065868  1
  C  C125  1  0.613939  0.591546  0.067684  1
  C  C126  1  0.331902  0.386262  0.680506  1
  C  C127  1  0.830707  0.385101  0.679346  1
  C  C128  1  0.372935  0.227343  0.819439  1
  C  C129  1  0.873526  0.226601  0.818014  1
  C  C130  1  0.430395  0.177284  0.681251  1
  C  C131  1  0.930660  0.177117  0.679460  1
  C  C132  1  0.389083  0.594693  0.068870  1
  C  C133  1  0.887323  0.593111  0.065868  1
  C  C134  1  0.387432  0.408049  0.933185  1
  C  C135  1  0.887323  0.407477  0.931625  1
  C  C136  1  0.286415  0.310514  0.106930  1
  C  C137  1  0.785522  0.310869  0.109153  1
  C  C138  1  0.056321  0.472813  0.388707  1
  C  C139  1  0.558200  0.471380  0.390587  1
  C  C140  1  0.056457  0.386479  0.973891  1
  C  C141  1  0.556192  0.385424  0.976401  1
  C  C142  1  0.464996  0.439078  0.181783  1
  C  C143  1  0.964923  0.438882  0.179251  1
  C  C144  1  0.070895  0.247530  0.565885  1
  C  C145  1  0.571653  0.246342  0.568573  1
  C  C146  1  0.422462  0.157570  0.246521  1
  C  C147  1  0.922909  0.159649  0.248747  1
  C  C148  1  0.333947  0.664283  0.252417  1
  C  C149  1  0.827798  0.659649  0.248747  1
  C  C150  1  0.435907  0.826742  0.324460  1
  C  C151  1  0.930660  0.823470  0.318033  1
  C  C152  1  0.419161  0.113445  0.177122  1
  C  C153  1  0.920000  0.115486  0.179346  1
  C  C154  1  0.127921  0.269714  0.609142  1
  C  C155  1  0.628629  0.267928  0.612200  1
  C  C156  1  0.321051  0.322679  0.177235  1
  C  C157  1  0.820047  0.323470  0.179460  1
  C  C158  1  0.378102  0.229356  0.106916  1
  C  C159  1  0.877921  0.230873  0.109142  1
  C  C160  1  0.377748  0.272480  0.315788  1
  C  C161  1  0.877180  0.273986  0.318014  1
  C  C162  1  0.390010  0.523272  0.391265  1
  C  C163  1  0.887413  0.521215  0.388068  1
  C  C164  1  0.035700  0.160136  0.748747  1
  C  C165  1  0.534977  0.159276  0.751205  1
  C  C166  1  0.388311  0.479882  0.889541  1
  C  C167  1  0.887413  0.479372  0.888068  1
  C  C168  1  0.372151  0.270463  0.889773  1
  C  C169  1  0.872785  0.269714  0.888351  1
  C  C170  1  0.349443  0.261489  0.750014  1
  C  C171  1  0.849461  0.260519  0.748747  1
  C  C172  1  0.056457  0.386479  0.523602  1
  C  C173  1  0.558405  0.385464  0.526117  1
  C  C174  1  0.070895  0.247530  0.931608  1
  C  C175  1  0.569883  0.246331  0.934289  1
  C  C176  1  0.467499  0.561493  0.681293  1
  C  C177  1  0.964923  0.561705  0.679251  1
  C  C178  1  0.435215  0.754203  0.436190  1
  C  C179  1  0.929811  0.753057  0.431608  1
  C  C180  1  0.354374  0.538306  0.182699  1
  C  C181  1  0.852429  0.535261  0.179262  1
  C  C182  1  0.389199  0.408053  0.567401  1
  C  C183  1  0.887323  0.407477  0.565868  1
  C  C184  1  0.129380  0.497400  0.248747  1
  C  C185  1  0.630648  0.494822  0.249995  1
  C  C186  1  0.398673  0.149025  0.106887  1
  C  C187  1  0.899200  0.150807  0.109112  1
  C  C188  1  0.401510  0.238259  0.246520  1
  C  C189  1  0.901245  0.240068  0.248747  1
  C  C190  1  0.331225  0.386249  0.819301  1
  C  C191  1  0.830707  0.385101  0.818147  1
  C  C192  1  0.000353  0.514964  0.939220  1
  C  C193  1  0.501332  0.514350  0.941349  1
  C  C194  1  0.445000  0.613038  0.024445  1
  C  C195  1  0.944250  0.614108  0.023602  1
  C  C196  1  0.422363  0.749539  0.051546  1
  C  C197  1  0.929811  0.753057  0.065885  1
  C  C198  1  0.070047  0.177117  0.679460  1
  C  C199  1  0.569771  0.175917  0.682141  1
  C  C200  1  0.464077  0.306083  0.975582  1
  C  C201  1  0.964897  0.306211  0.973545  1
  C  C202  1  0.000353  0.485624  0.439220  1
  C  C203  1  0.502720  0.485253  0.441544  1
  C  C204  1  0.113293  0.479372  0.609426  1
  C  C205  1  0.615586  0.477714  0.612387  1
  C  C206  1  0.035809  0.306211  0.523949  1
  C  C207  1  0.537218  0.305396  0.526404  1
  C  C208  1  0.445759  0.527488  0.890388  1
  C  C209  1  0.944386  0.527774  0.888707  1
  C  C210  1  0.465347  0.189538  0.611169  1
  C  C211  1  0.965184  0.189718  0.609153  1
  C  C212  1  0.430584  0.247696  0.567676  1
  C  C213  1  0.929811  0.247530  0.565885  1
  C  C214  1  0.113293  0.479372  0.888068  1
  C  C215  1  0.614239  0.477774  0.891067  1
  C  C216  1  0.448406  0.614745  0.477010  1
  C  C217  1  0.944250  0.614108  0.473891  1
  C  C218  1  0.373608  0.227333  0.680903  1
  C  C219  1  0.873526  0.226601  0.679479  1
  C  C220  1  0.353541  0.466244  0.819495  1
  C  C221  1  0.852429  0.465326  0.818232  1
  C  C222  1  0.397273  0.758735  0.746538  1
  C  C223  1  0.901245  0.760519  0.748747  1
  C  C224  1  0.398681  0.149031  0.386158  1
  C  C225  1  0.899200  0.150807  0.388382  1
  C  C226  1  0.372921  0.499960  0.252038  1
  C  C227  1  0.871326  0.497400  0.248747  1
  C  C228  1  0.355102  0.538519  0.321569  1
  C  C229  1  0.852429  0.535261  0.318232  1
  C  C230  1  0.354224  0.466252  0.680568  1
  C  C231  1  0.852429  0.465326  0.679262  1
  C  C232  1  0.148277  0.535261  0.179262  1
  C  C233  1  0.649558  0.532390  0.180356  1
  C  C234  1  0.373506  0.270448  0.610562  1
  C  C235  1  0.872785  0.269714  0.609142  1
  C  C236  1  0.388169  0.522511  0.112649  1
  C  C237  1  0.887413  0.521215  0.109426  1
  C  C238  1  0.148277  0.535261  0.318232  1
  C  C239  1  0.650472  0.532150  0.319395  1
  C  C240  1  0.377744  0.272477  0.177252  1
  C  C241  1  0.877180  0.273986  0.179479  1
  C  C242  1  0.378110  0.229361  0.386126  1
  C  C243  1  0.877921  0.230873  0.388351  1
  C  C244  1  0.321055  0.322682  0.315808  1
  C  C245  1  0.820047  0.323470  0.318033  1
  C  C246  1  0.127921  0.269714  0.888351  1
  C  C247  1  0.627277  0.267927  0.891408  1
  C  C248  1  0.429549  0.449431  0.251589  1
  C  C249  1  0.928819  0.448290  0.248747  1
  C  C250  1  0.389671  0.479935  0.610978  1
  C  C251  1  0.887413  0.479372  0.609426  1
  C  C252  1  0.113384  0.407477  0.565868  1
  C  C253  1  0.615253  0.405827  0.568819  1
  C  C254  1  0.419165  0.113448  0.315922  1
  C  C255  1  0.920000  0.115486  0.318147  1
  C  C256  1  0.428653  0.836132  0.191510  1
  C  C257  1  0.930660  0.823470  0.179460  1
  C  C258  1  0.373081  0.503933  0.750158  1
  C  C259  1  0.871326  0.503187  0.748747  1
  C  C260  1  0.328340  0.342122  0.749878  1
  C  C261  1  0.827798  0.340938  0.748747  1
  C  C262  1  0.170000  0.385101  0.818147  1
  C  C263  1  0.670534  0.382869  0.821482  1
  C  C264  1  0.070047  0.177117  0.818033  1
  C  C265  1  0.569102  0.175910  0.820717  1
  C  C266  1  0.352768  0.350717  0.610405  1
  C  C267  1  0.851506  0.349780  0.609112  1
  C  C268  1  0.056321  0.527774  0.608787  1
  C  C269  1  0.559008  0.526766  0.611422  1
  C  C270  1  0.372907  0.725122  0.815804  1
  C  C271  1  0.877180  0.726601  0.818014  1
  C  C272  1  0.463991  0.189574  0.890357  1
  C  C273  1  0.965184  0.189718  0.888340  1
  C  C274  1  0.465911  0.439360  0.320826  1
  C  C275  1  0.964923  0.438882  0.318243  1
  C  C276  1  0.056321  0.472813  0.108787  1
  C  C277  1  0.556266  0.471827  0.110714  1
  C  C278  1  0.286423  0.310519  0.386117  1
  C  C279  1  0.785522  0.310869  0.388340  1
  C  C280  1  0.136311  0.094646  0.429412  1
  C  C281  1  0.637323  0.093111  0.431625  1
  C  C282  1  0.284476  0.061362  0.816030  1
  C  C283  1  0.785783  0.061705  0.818243  1
  C  C284  1  0.127180  0.226601  0.679479  1
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