# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.34128185
_cell_length_b   19.50356440
_cell_length_c   20.14667790
_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   9171.53725448
_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  0.387618  0.590685  0.431262  1
  C  C2  1  0.887102  0.593347  0.431422  1
  C  C3  1  0.035463  0.561976  0.818081  1
  C  C4  1  0.533603  0.563141  0.819024  1
  C  C5  1  0.375219  0.727811  0.679342  1
  C  C6  1  0.876803  0.726751  0.679342  1
  C  C7  1  0.099409  0.242764  0.248589  1
  C  C8  1  0.599259  0.240366  0.248589  1
  C  C9  1  0.113007  0.593347  0.431422  1
  C  C10  1  0.613675  0.592155  0.431294  1
  C  C11  1  0.464526  0.809130  0.109068  1
  C  C12  1  0.964907  0.811203  0.109038  1
  C  C13  1  0.330911  0.612747  0.317937  1
  C  C14  1  0.830524  0.615728  0.317970  1
  C  C15  1  1.000055  0.562095  0.012347  1
  C  C16  1  0.500811  0.560103  0.012712  1
  C  C17  1  0.351552  0.648267  0.109080  1
  C  C18  1  0.851306  0.651064  0.108993  1
  C  C19  1  0.035202  0.189848  0.609038  1
  C  C20  1  0.538131  0.188237  0.609032  1
  C  C21  1  0.035489  0.694660  0.023851  1
  C  C22  1  0.535656  0.693043  0.023956  1
  C  C23  1  0.035463  0.561976  0.679097  1
  C  C24  1  0.533603  0.563142  0.678154  1
  C  C25  1  0.113007  0.407704  0.931422  1
  C  C26  1  0.614535  0.406622  0.932036  1
  C  C27  1  0.056124  0.614354  0.023485  1
  C  C28  1  0.556696  0.612968  0.023797  1
  C  C29  1  0.148803  0.349987  0.888186  1
  C  C30  1  0.650503  0.349611  0.888339  1
  C  C31  1  0.372495  0.728487  0.109064  1
  C  C32  1  0.872566  0.731170  0.109026  1
  C  C33  1  0.928587  0.552573  0.748589  1
  C  C34  1  0.071522  0.448478  0.248589  1
  C  C35  1  0.572767  0.446861  0.248589  1
  C  C36  1  0.464742  0.692557  0.023994  1
  C  C37  1  0.964620  0.694660  0.023851  1
  C  C38  1  0.148803  0.349987  0.608993  1
  C  C39  1  0.650503  0.349611  0.608839  1
  C  C40  1  0.056124  0.614354  0.473694  1
  C  C41  1  0.556696  0.612969  0.473381  1
  C  C42  1  0.035463  0.439075  0.318081  1
  C  C43  1  0.536583  0.437136  0.317943  1
  C  C44  1  0.421294  0.841983  0.748589  1
  C  C45  1  0.922495  0.841145  0.748589  1
  C  C46  1  0.147869  0.465582  0.679119  1
  C  C47  1  0.647262  0.465016  0.679369  1
  C  C48  1  0.466952  0.571633  0.828986  1
  C  C49  1  0.964647  0.561976  0.818081  1
  C  C50  1  1.000055  0.485816  0.058117  1
  C  C51  1  0.501005  0.483766  0.058652  1
  C  C52  1  0.320745  0.254687  0.431397  1
  C  C53  1  0.820552  0.253365  0.431397  1
  C  C54  1  0.112911  0.521419  0.109301  1
  C  C55  1  0.613806  0.520212  0.109413  1
  C  C56  1  0.071522  0.552573  0.748589  1
  C  C57  1  0.569164  0.550584  0.748589  1
  C  C58  1  0.123572  0.276581  0.317836  1
  C  C59  1  0.623306  0.274300  0.317836  1
  C  C60  1  0.432019  0.245139  0.931133  1
  C  C61  1  0.929557  0.247686  0.931397  1
  C  C62  1  0.123572  0.276581  0.179342  1
  C  C63  1  0.623306  0.274300  0.179342  1
  C  C64  1  0.035489  0.306392  0.973328  1
  C  C65  1  0.537510  0.304709  0.973449  1
  C  C66  1  0.445656  0.384617  0.524689  1
  C  C67  1  0.943985  0.386697  0.523485  1
  C  C68  1  0.112911  0.521419  0.387877  1
  C  C69  1  0.613806  0.520212  0.387765  1
  C  C70  1  0.320745  0.254686  0.065781  1
  C  C71  1  0.820552  0.253365  0.065781  1
  C  C72  1  0.128987  0.503451  0.748589  1
  C  C73  1  0.626248  0.502635  0.748589  1
  C  C74  1  0.035202  0.189848  0.888141  1
  C  C75  1  0.538131  0.188237  0.888146  1
  C  C76  1  0.035463  0.439075  0.179097  1
  C  C77  1  0.536583  0.437136  0.179235  1
  C  C78  1  0.443328  0.529170  0.608639  1
  C  C79  1  0.944137  0.528056  0.608636  1
  C  C80  1  0.464742  0.692557  0.473184  1
  C  C81  1  0.964620  0.694660  0.473328  1
  C  C82  1  0.000055  0.515235  0.558117  1
  C  C83  1  0.501607  0.513083  0.556847  1
  C  C84  1  0.353099  0.346484  0.887089  1
  C  C85  1  0.851306  0.349987  0.888186  1
  C  C86  1  0.464218  0.838729  0.248589  1
  C  C87  1  0.964729  0.840798  0.248589  1
  C  C88  1  0.372495  0.728487  0.388114  1
  C  C89  1  0.872566  0.731170  0.388152  1
  C  C90  1  0.147869  0.465582  0.818059  1
  C  C91  1  0.647262  0.465015  0.817809  1
  C  C92  1  0.445656  0.384616  0.972490  1
  C  C93  1  0.943985  0.386697  0.973694  1
  C  C94  1  0.055973  0.528056  0.888542  1
  C  C95  1  0.555920  0.525869  0.889820  1
  C  C96  1  0.169585  0.385323  0.679208  1
  C  C97  1  0.670321  0.385532  0.679295  1
  C  C98  1  0.445042  0.470431  0.108725  1
  C  C99  1  0.944137  0.472996  0.108636  1
  C  C100  1  0.035489  0.694660  0.473328  1
  C  C101  1  0.535656  0.693043  0.473222  1
  C  C102  1  0.285871  0.342290  0.248589  1
  C  C103  1  0.785380  0.340798  0.248589  1
  C  C104  1  1.000055  0.438956  0.984831  1
  C  C105  1  0.501414  0.437156  0.984826  1
  C  C106  1  0.445042  0.470431  0.388453  1
  C  C107  1  0.944137  0.472996  0.388542  1
  C  C108  1  0.351552  0.648267  0.388098  1
  C  C109  1  0.851306  0.651064  0.388186  1
  C  C110  1  0.433493  0.174187  0.817867  1
  C  C111  1  0.930404  0.177243  0.817855  1
  C  C112  1  0.000055  0.562095  0.484831  1
  C  C113  1  0.500812  0.560103  0.484466  1
  C  C114  1  0.000055  0.438956  0.512347  1
  C  C115  1  0.501414  0.437156  0.512353  1
  C  C116  1  0.330911  0.612747  0.179241  1
  C  C117  1  0.830524  0.615728  0.179208  1
  C  C118  1  0.467925  0.157660  0.748589  1
  C  C119  1  0.964729  0.160253  0.748589  1
  C  C120  1  0.466577  0.304598  0.524407  1
  C  C121  1  0.964620  0.306392  0.523851  1
  C  C122  1  0.464526  0.809130  0.388109  1
  C  C123  1  0.964907  0.811203  0.388141  1
  C  C124  1  0.113007  0.593347  0.065756  1
  C  C125  1  0.613675  0.592155  0.065884  1
  C  C126  1  0.330270  0.379977  0.679141  1
  C  C127  1  0.830524  0.385323  0.679208  1
  C  C128  1  0.375843  0.222935  0.817764  1
  C  C129  1  0.873306  0.226751  0.817836  1
  C  C130  1  0.433493  0.174188  0.679312  1
  C  C131  1  0.930404  0.177243  0.679324  1
  C  C132  1  0.387618  0.590685  0.065916  1
  C  C133  1  0.887102  0.593347  0.065756  1
  C  C134  1  0.389518  0.406069  0.928718  1
  C  C135  1  0.887102  0.407704  0.931422  1
  C  C136  1  0.285592  0.312697  0.109038  1
  C  C137  1  0.785202  0.311203  0.109038  1
  C  C138  1  0.055973  0.472996  0.388542  1
  C  C139  1  0.557043  0.471418  0.388322  1
  C  C140  1  0.056124  0.386697  0.973694  1
  C  C141  1  0.557975  0.384982  0.974283  1
  C  C142  1  0.465803  0.436586  0.179188  1
  C  C143  1  0.964647  0.439075  0.179097  1
  C  C144  1  0.070552  0.247686  0.565781  1
  C  C145  1  0.573013  0.246437  0.565744  1
  C  C146  1  0.422370  0.160733  0.248589  1
  C  C147  1  0.922495  0.159907  0.248589  1
  C  C148  1  0.327823  0.656958  0.248589  1
  C  C149  1  0.827614  0.659907  0.248589  1
  C  C150  1  0.429946  0.821514  0.317837  1
  C  C151  1  0.930404  0.823809  0.317855  1
  C  C152  1  0.419310  0.116569  0.179208  1
  C  C153  1  0.919585  0.115728  0.179208  1
  C  C154  1  0.127543  0.269881  0.609026  1
  C  C155  1  0.629834  0.269286  0.608984  1
  C  C156  1  0.320137  0.325134  0.179324  1
  C  C157  1  0.819705  0.323809  0.179324  1
  C  C158  1  0.377660  0.232214  0.109026  1
  C  C159  1  0.877543  0.231170  0.109026  1
  C  C160  1  0.377067  0.275348  0.317836  1
  C  C161  1  0.876803  0.274300  0.317836  1
  C  C162  1  0.387966  0.518702  0.387800  1
  C  C163  1  0.887198  0.521419  0.387877  1
  C  C164  1  0.035380  0.160253  0.748589  1
  C  C165  1  0.538591  0.158586  0.748589  1
  C  C166  1  0.388069  0.476992  0.885822  1
  C  C167  1  0.887198  0.479632  0.887877  1
  C  C168  1  0.374922  0.266442  0.887892  1
  C  C169  1  0.872566  0.269881  0.888152  1
  C  C170  1  0.351356  0.256119  0.748589  1
  C  C171  1  0.849259  0.260685  0.748589  1
  C  C172  1  0.056124  0.386697  0.523485  1
  C  C173  1  0.557974  0.384982  0.522896  1
  C  C174  1  0.070552  0.247686  0.931397  1
  C  C175  1  0.573014  0.246437  0.931434  1
  C  C176  1  0.466953  0.571634  0.668192  1
  C  C177  1  0.964647  0.561976  0.679097  1
  C  C178  1  0.429389  0.751090  0.431330  1
  C  C179  1  0.929557  0.753365  0.431397  1
  C  C180  1  0.352957  0.532592  0.179156  1
  C  C181  1  0.852240  0.535469  0.179119  1
  C  C182  1  0.389518  0.406070  0.568461  1
  C  C183  1  0.887102  0.407704  0.565756  1
  C  C184  1  0.128987  0.497600  0.248589  1
  C  C185  1  0.629969  0.496431  0.248589  1
  C  C186  1  0.398648  0.152006  0.108993  1
  C  C187  1  0.898803  0.151064  0.108993  1
  C  C188  1  0.400999  0.241297  0.248589  1
  C  C189  1  0.900851  0.240366  0.248589  1
  C  C190  1  0.330269  0.379977  0.818039  1
  C  C191  1  0.830524  0.385323  0.817970  1
  C  C192  1  1.000055  0.515235  0.939062  1
  C  C193  1  0.501607  0.513082  0.940332  1
  C  C194  1  0.444448  0.612205  0.023889  1
  C  C195  1  0.943985  0.614354  0.023485  1
  C  C196  1  0.429389  0.751089  0.065848  1
  C  C197  1  0.929557  0.753365  0.065781  1
  C  C198  1  0.069705  0.177243  0.679324  1
  C  C199  1  0.572743  0.176013  0.679319  1
  C  C200  1  0.466577  0.304598  0.972771  1
  C  C201  1  0.964620  0.306392  0.973328  1
  C  C202  1  0.000055  0.485816  0.439062  1
  C  C203  1  0.501005  0.483766  0.438527  1
  C  C204  1  0.112911  0.479632  0.609301  1
  C  C205  1  0.613163  0.478767  0.608951  1
  C  C206  1  0.035489  0.306392  0.523851  1
  C  C207  1  0.537510  0.304710  0.523729  1
  C  C208  1  0.443328  0.529170  0.888540  1
  C  C209  1  0.944137  0.528056  0.888542  1
  C  C210  1  0.467834  0.187487  0.609097  1
  C  C211  1  0.964907  0.189848  0.609038  1
  C  C212  1  0.432019  0.245139  0.566046  1
  C  C213  1  0.929557  0.247686  0.565781  1
  C  C214  1  0.112911  0.479632  0.887877  1
  C  C215  1  0.613162  0.478767  0.888227  1
  C  C216  1  0.444449  0.612205  0.473290  1
  C  C217  1  0.943985  0.614354  0.473694  1
  C  C218  1  0.375843  0.222935  0.679415  1
  C  C219  1  0.873306  0.226751  0.679342  1
  C  C220  1  0.348423  0.463652  0.817840  1
  C  C221  1  0.852240  0.465582  0.818059  1
  C  C222  1  0.399380  0.761629  0.748589  1
  C  C223  1  0.900851  0.760685  0.748589  1
  C  C224  1  0.398648  0.152006  0.388186  1
  C  C225  1  0.898803  0.151064  0.388186  1
  C  C226  1  0.372005  0.494771  0.248589  1
  C  C227  1  0.871122  0.497600  0.248589  1
  C  C228  1  0.352957  0.532592  0.318022  1
  C  C229  1  0.852240  0.535469  0.318059  1
  C  C230  1  0.348423  0.463652  0.679340  1
  C  C231  1  0.852240  0.465582  0.679119  1
  C  C232  1  0.147869  0.535469  0.179119  1
  C  C233  1  0.648728  0.534495  0.179174  1
  C  C234  1  0.374922  0.266443  0.609287  1
  C  C235  1  0.872566  0.269881  0.609026  1
  C  C236  1  0.387966  0.518701  0.109378  1
  C  C237  1  0.887198  0.521419  0.109301  1
  C  C238  1  0.147869  0.535469  0.318059  1
  C  C239  1  0.648728  0.534495  0.318004  1
  C  C240  1  0.377067  0.275348  0.179342  1
  C  C241  1  0.876803  0.274300  0.179342  1
  C  C242  1  0.377660  0.232214  0.388152  1
  C  C243  1  0.877543  0.231170  0.388152  1
  C  C244  1  0.320137  0.325134  0.317855  1
  C  C245  1  0.819705  0.323809  0.317855  1
  C  C246  1  0.127543  0.269881  0.888152  1
  C  C247  1  0.629834  0.269286  0.888195  1
  C  C248  1  0.429605  0.445863  0.248589  1
  C  C249  1  0.928587  0.448478  0.248589  1
  C  C250  1  0.388069  0.476992  0.611357  1
  C  C251  1  0.887198  0.479632  0.609301  1
  C  C252  1  0.113007  0.407704  0.565756  1
  C  C253  1  0.614535  0.406622  0.565142  1
  C  C254  1  0.419310  0.116569  0.317970  1
  C  C255  1  0.919585  0.115728  0.317970  1
  C  C256  1  0.429946  0.821514  0.179341  1
  C  C257  1  0.930404  0.823809  0.179324  1
  C  C258  1  0.348050  0.500349  0.748590  1
  C  C259  1  0.871122  0.503451  0.748589  1
  C  C260  1  0.328404  0.336598  0.748590  1
  C  C261  1  0.827614  0.341145  0.748589  1
  C  C262  1  0.169585  0.385323  0.817970  1
  C  C263  1  0.670321  0.385532  0.817883  1
  C  C264  1  0.069705  0.177243  0.817855  1
  C  C265  1  0.572743  0.176013  0.817859  1
  C  C266  1  0.353099  0.346484  0.610090  1
  C  C267  1  0.851306  0.349987  0.608993  1
  C  C268  1  0.055973  0.528056  0.608636  1
  C  C269  1  0.555921  0.525869  0.607358  1
  C  C270  1  0.375219  0.727811  0.817836  1
  C  C271  1  0.876803  0.726751  0.817836  1
  C  C272  1  0.467834  0.187486  0.888082  1
  C  C273  1  0.964907  0.189848  0.888141  1
  C  C274  1  0.465803  0.436586  0.317990  1
  C  C275  1  0.964647  0.439075  0.318081  1
  C  C276  1  0.055973  0.472996  0.108636  1
  C  C277  1  0.557043  0.471417  0.108856  1
  C  C278  1  0.285592  0.312697  0.388141  1
  C  C279  1  0.785202  0.311203  0.388141  1
  C  C280  1  0.136753  0.095563  0.431422  1
  C  C281  1  0.637102  0.093347  0.431422  1
  C  C282  1  0.285003  0.063470  0.818081  1
  C  C283  1  0.785463  0.061976  0.818081  1
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