# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.33681145
_cell_length_b   19.52444199
_cell_length_c   20.16935723
_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   9189.93005078
_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  0.887214  0.592584  0.430701  1
  C  C2  1  0.035563  0.561406  0.817506  1
  C  C3  1  0.536732  0.557814  0.824906  1
  C  C4  1  0.376914  0.726661  0.678855  1
  C  C5  1  0.876914  0.726661  0.678855  1
  C  C6  1  0.099346  0.239419  0.248029  1
  C  C7  1  0.599346  0.239419  0.248029  1
  C  C8  1  0.113087  0.592584  0.430701  1
  C  C9  1  0.611134  0.601575  0.430553  1
  C  C10  1  0.467527  0.807176  0.098187  1
  C  C11  1  0.964996  0.810196  0.108626  1
  C  C12  1  0.330998  0.623593  0.316510  1
  C  C13  1  0.830643  0.614922  0.317341  1
  C  C14  1  0.000150  0.561385  0.011832  1
  C  C15  1  0.502834  0.553782  0.015706  1
  C  C16  1  0.353375  0.647508  0.104512  1
  C  C17  1  0.851409  0.650217  0.108569  1
  C  C18  1  0.035305  0.189785  0.608626  1
  C  C19  1  0.534250  0.193043  0.605408  1
  C  C20  1  0.035592  0.693785  0.023502  1
  C  C21  1  0.538813  0.686568  0.019926  1
  C  C22  1  0.035563  0.561406  0.678551  1
  C  C23  1  0.535254  0.564101  0.687863  1
  C  C24  1  0.113087  0.407396  0.930701  1
  C  C25  1  0.615071  0.399461  0.933247  1
  C  C26  1  0.056229  0.613565  0.023063  1
  C  C27  1  0.559028  0.606345  0.024468  1
  C  C28  1  0.148892  0.349764  0.887488  1
  C  C29  1  0.650459  0.343337  0.887752  1
  C  C30  1  0.374645  0.727402  0.100245  1
  C  C31  1  0.872652  0.730244  0.108613  1
  C  C32  1  0.428330  0.550760  0.756991  1
  C  C33  1  0.928754  0.552044  0.748029  1
  C  C34  1  0.071546  0.447937  0.248029  1
  C  C35  1  0.571364  0.448756  0.254101  1
  C  C36  1  0.467909  0.686985  0.018913  1
  C  C37  1  0.964709  0.693785  0.023502  1
  C  C38  1  0.148892  0.349764  0.608569  1
  C  C39  1  0.648143  0.352265  0.608834  1
  C  C40  1  0.056229  0.613565  0.472994  1
  C  C41  1  0.551927  0.626653  0.466261  1
  C  C42  1  0.035563  0.438575  0.317506  1
  C  C43  1  0.534340  0.441761  0.323291  1
  C  C44  1  0.422579  0.840943  0.748029  1
  C  C45  1  0.922579  0.840943  0.748029  1
  C  C46  1  0.147916  0.465222  0.678613  1
  C  C47  1  0.649080  0.465295  0.682573  1
  C  C48  1  0.465929  0.557674  0.825682  1
  C  C49  1  0.964738  0.561406  0.817506  1
  C  C50  1  0.000150  0.485182  0.057558  1
  C  C51  1  0.502360  0.477832  0.061681  1
  C  C52  1  0.320652  0.252418  0.430648  1
  C  C53  1  0.820652  0.252418  0.430648  1
  C  C54  1  0.112969  0.520737  0.108856  1
  C  C55  1  0.614580  0.515904  0.113158  1
  C  C56  1  0.071546  0.552044  0.748029  1
  C  C57  1  0.572976  0.550809  0.755256  1
  C  C58  1  0.123387  0.273320  0.317202  1
  C  C59  1  0.623387  0.273320  0.317202  1
  C  C60  1  0.431711  0.240291  0.930426  1
  C  C61  1  0.929649  0.247563  0.930648  1
  C  C62  1  0.123387  0.273320  0.178855  1
  C  C63  1  0.623387  0.273320  0.178855  1
  C  C64  1  0.035592  0.306195  0.972555  1
  C  C65  1  0.537956  0.297799  0.972811  1
  C  C66  1  0.441730  0.392338  0.526374  1
  C  C67  1  0.944072  0.386416  0.523063  1
  C  C68  1  0.112969  0.520737  0.387201  1
  C  C69  1  0.610359  0.527644  0.390730  1
  C  C70  1  0.320652  0.252418  0.065409  1
  C  C71  1  0.820652  0.252418  0.065409  1
  C  C72  1  0.129042  0.503012  0.748029  1
  C  C73  1  0.630048  0.501041  0.753030  1
  C  C74  1  0.035305  0.189785  0.887431  1
  C  C75  1  0.536796  0.183845  0.884220  1
  C  C76  1  0.035563  0.438575  0.178551  1
  C  C77  1  0.536399  0.436382  0.184389  1
  C  C78  1  0.442431  0.528527  0.618951  1
  C  C79  1  0.944278  0.527617  0.608102  1
  C  C80  1  0.459407  0.706276  0.467069  1
  C  C81  1  0.964709  0.693785  0.472555  1
  C  C82  1  0.000150  0.514799  0.557558  1
  C  C83  1  0.499068  0.501922  0.578773  1
  C  C84  1  0.352887  0.343339  0.891333  1
  C  C85  1  0.851409  0.349764  0.887488  1
  C  C86  1  0.465312  0.843144  0.236146  1
  C  C87  1  0.964818  0.839753  0.248029  1
  C  C88  1  0.366669  0.742970  0.379248  1
  C  C89  1  0.872652  0.730244  0.387444  1
  C  C90  1  0.147916  0.465222  0.817445  1
  C  C91  1  0.649517  0.460737  0.820800  1
  C  C92  1  0.446381  0.377790  0.977206  1
  C  C93  1  0.944072  0.386416  0.972994  1
  C  C94  1  0.056023  0.527617  0.887956  1
  C  C95  1  0.558149  0.520329  0.893133  1
  C  C96  1  0.169658  0.385058  0.678716  1
  C  C97  1  0.669994  0.384718  0.679712  1
  C  C98  1  0.445573  0.467822  0.111599  1
  C  C99  1  0.944278  0.472364  0.108102  1
  C  C100  1  0.035592  0.693785  0.472555  1
  C  C101  1  0.531935  0.706405  0.467317  1
  C  C102  1  0.285483  0.339753  0.248029  1
  C  C103  1  0.785483  0.339753  0.248029  1
  C  C104  1  0.000150  0.438596  0.984225  1
  C  C105  1  0.502590  0.429602  0.989274  1
  C  C106  1  0.439827  0.473452  0.391883  1
  C  C107  1  0.944278  0.472364  0.387956  1
  C  C108  1  0.334297  0.672284  0.377656  1
  C  C109  1  0.851409  0.650217  0.387488  1
  C  C110  1  0.431408  0.173284  0.814908  1
  C  C111  1  0.930492  0.177198  0.817220  1
  C  C112  1  0.000150  0.561385  0.484225  1
  C  C113  1  0.492682  0.578168  0.459431  1
  C  C114  1  0.000150  0.438596  0.511832  1
  C  C115  1  0.498267  0.445201  0.516497  1
  C  C116  1  0.332706  0.615627  0.176340  1
  C  C117  1  0.830643  0.614922  0.178716  1
  C  C118  1  0.465028  0.158652  0.744756  1
  C  C119  1  0.964818  0.160227  0.748029  1
  C  C120  1  0.462854  0.312655  0.524939  1
  C  C121  1  0.964709  0.306195  0.523502  1
  C  C122  1  0.462666  0.817926  0.377066  1
  C  C123  1  0.964996  0.810196  0.387431  1
  C  C124  1  0.113087  0.592584  0.065356  1
  C  C125  1  0.615747  0.586201  0.067334  1
  C  C126  1  0.329663  0.384860  0.683891  1
  C  C127  1  0.830643  0.385058  0.678716  1
  C  C128  1  0.374220  0.222543  0.817117  1
  C  C129  1  0.873387  0.226661  0.817202  1
  C  C130  1  0.430142  0.177831  0.676484  1
  C  C131  1  0.930492  0.177198  0.678837  1
  C  C132  1  0.389207  0.587400  0.064727  1
  C  C133  1  0.887214  0.592584  0.065356  1
  C  C134  1  0.389141  0.399451  0.935920  1
  C  C135  1  0.887214  0.407396  0.930701  1
  C  C136  1  0.285305  0.310196  0.108626  1
  C  C137  1  0.785305  0.310196  0.108626  1
  C  C138  1  0.056023  0.472364  0.387956  1
  C  C139  1  0.553231  0.479240  0.393069  1
  C  C140  1  0.056229  0.386416  0.972994  1
  C  C141  1  0.558687  0.377905  0.976138  1
  C  C142  1  0.465663  0.436672  0.183184  1
  C  C143  1  0.964738  0.438575  0.178551  1
  C  C144  1  0.070652  0.247563  0.565409  1
  C  C145  1  0.569045  0.252343  0.563620  1
  C  C146  1  0.422579  0.159038  0.248029  1
  C  C147  1  0.922579  0.159038  0.248029  1
  C  C148  1  0.330195  0.662690  0.243079  1
  C  C149  1  0.827722  0.659038  0.248029  1
  C  C150  1  0.429396  0.829666  0.305119  1
  C  C151  1  0.930492  0.822783  0.317220  1
  C  C152  1  0.419658  0.114922  0.178716  1
  C  C153  1  0.919658  0.114922  0.178716  1
  C  C154  1  0.127649  0.269737  0.608613  1
  C  C155  1  0.626627  0.272413  0.606723  1
  C  C156  1  0.319809  0.322783  0.178837  1
  C  C157  1  0.819809  0.322783  0.178837  1
  C  C158  1  0.377649  0.230244  0.108613  1
  C  C159  1  0.877649  0.230244  0.108613  1
  C  C160  1  0.376914  0.273320  0.317202  1
  C  C161  1  0.876914  0.273320  0.317202  1
  C  C162  1  0.380053  0.509148  0.385363  1
  C  C163  1  0.887331  0.520737  0.387201  1
  C  C164  1  0.035483  0.160227  0.748029  1
  C  C165  1  0.535686  0.158658  0.743902  1
  C  C166  1  0.388368  0.472368  0.894163  1
  C  C167  1  0.887331  0.479244  0.887201  1
  C  C168  1  0.374209  0.263394  0.888610  1
  C  C169  1  0.872652  0.269737  0.887444  1
  C  C170  1  0.349449  0.258411  0.749233  1
  C  C171  1  0.849346  0.260561  0.748029  1
  C  C172  1  0.056229  0.386416  0.523063  1
  C  C173  1  0.555048  0.392413  0.524793  1
  C  C174  1  0.070652  0.247563  0.930648  1
  C  C175  1  0.572396  0.240334  0.928736  1
  C  C176  1  0.464842  0.564059  0.688713  1
  C  C177  1  0.964738  0.561406  0.678551  1
  C  C178  1  0.425689  0.764006  0.421164  1
  C  C179  1  0.929649  0.752418  0.430648  1
  C  C180  1  0.354576  0.535138  0.180027  1
  C  C181  1  0.852385  0.534759  0.178613  1
  C  C182  1  0.385373  0.411431  0.570239  1
  C  C183  1  0.887214  0.407396  0.565356  1
  C  C184  1  0.129042  0.496968  0.248029  1
  C  C185  1  0.628599  0.498054  0.253218  1
  C  C186  1  0.398892  0.150217  0.108569  1
  C  C187  1  0.898892  0.150217  0.108569  1
  C  C188  1  0.400954  0.239419  0.248029  1
  C  C189  1  0.900954  0.239419  0.248029  1
  C  C190  1  0.331263  0.380558  0.822489  1
  C  C191  1  0.830643  0.385058  0.817341  1
  C  C192  1  0.000150  0.514799  0.938499  1
  C  C193  1  0.502386  0.505564  0.943373  1
  C  C194  1  0.447031  0.607019  0.023528  1
  C  C195  1  0.944072  0.613565  0.023063  1
  C  C196  1  0.432276  0.747733  0.057140  1
  C  C197  1  0.929649  0.752418  0.065409  1
  C  C198  1  0.069809  0.177198  0.678837  1
  C  C199  1  0.569307  0.177824  0.674782  1
  C  C200  1  0.467077  0.297690  0.973594  1
  C  C201  1  0.964709  0.306195  0.972555  1
  C  C202  1  0.000150  0.485182  0.438499  1
  C  C203  1  0.496874  0.493302  0.441270  1
  C  C204  1  0.112969  0.479244  0.608856  1
  C  C205  1  0.614494  0.481312  0.613331  1
  C  C206  1  0.035592  0.306195  0.523502  1
  C  C207  1  0.533925  0.312721  0.524025  1
  C  C208  1  0.445780  0.519939  0.894289  1
  C  C209  1  0.944278  0.527617  0.887956  1
  C  C210  1  0.463934  0.193022  0.606271  1
  C  C211  1  0.964996  0.189785  0.608626  1
  C  C212  1  0.428380  0.252326  0.565352  1
  C  C213  1  0.929649  0.247563  0.565409  1
  C  C214  1  0.112969  0.479244  0.887201  1
  C  C215  1  0.615325  0.472381  0.891492  1
  C  C216  1  0.441941  0.628451  0.471846  1
  C  C217  1  0.944072  0.613565  0.472994  1
  C  C218  1  0.372935  0.227037  0.678715  1
  C  C219  1  0.873387  0.226661  0.678855  1
  C  C220  1  0.352817  0.460796  0.824366  1
  C  C221  1  0.852385  0.465222  0.817445  1
  C  C222  1  0.400954  0.760561  0.748029  1
  C  C223  1  0.900954  0.760561  0.748029  1
  C  C224  1  0.398892  0.150217  0.387488  1
  C  C225  1  0.898892  0.150217  0.387488  1
  C  C226  1  0.373443  0.501447  0.250723  1
  C  C227  1  0.871259  0.496968  0.248029  1
  C  C228  1  0.353982  0.540241  0.320667  1
  C  C229  1  0.852385  0.534759  0.317445  1
  C  C230  1  0.350766  0.465388  0.686232  1
  C  C231  1  0.852385  0.465222  0.678613  1
  C  C232  1  0.147916  0.534759  0.178613  1
  C  C233  1  0.648610  0.533063  0.182839  1
  C  C234  1  0.371614  0.272471  0.609848  1
  C  C235  1  0.872652  0.269737  0.608613  1
  C  C236  1  0.389327  0.517353  0.110841  1
  C  C237  1  0.887331  0.520737  0.108856  1
  C  C238  1  0.147916  0.534759  0.317445  1
  C  C239  1  0.646440  0.538995  0.321369  1
  C  C240  1  0.376914  0.273320  0.178855  1
  C  C241  1  0.876914  0.273320  0.178855  1
  C  C242  1  0.377649  0.230244  0.387444  1
  C  C243  1  0.877649  0.230244  0.387444  1
  C  C244  1  0.319809  0.322783  0.317220  1
  C  C245  1  0.819809  0.322783  0.317220  1
  C  C246  1  0.127649  0.269737  0.887444  1
  C  C247  1  0.629130  0.263380  0.885511  1
  C  C248  1  0.429053  0.449666  0.252019  1
  C  C249  1  0.928754  0.447937  0.248029  1
  C  C250  1  0.384154  0.481404  0.616209  1
  C  C251  1  0.887331  0.479244  0.608856  1
  C  C252  1  0.113087  0.407396  0.565356  1
  C  C253  1  0.612164  0.411358  0.567391  1
  C  C254  1  0.419658  0.114922  0.317341  1
  C  C255  1  0.919658  0.114922  0.317341  1
  C  C256  1  0.431917  0.823370  0.167033  1
  C  C257  1  0.930492  0.822783  0.178837  1
  C  C258  1  0.371151  0.501122  0.756185  1
  C  C259  1  0.871259  0.503012  0.748029  1
  C  C260  1  0.327600  0.338676  0.751938  1
  C  C261  1  0.827722  0.340943  0.748029  1
  C  C262  1  0.169658  0.385058  0.817341  1
  C  C263  1  0.670900  0.380452  0.818373  1
  C  C264  1  0.069809  0.177198  0.817220  1
  C  C265  1  0.570574  0.173292  0.813221  1
  C  C266  1  0.350134  0.352321  0.612503  1
  C  C267  1  0.851409  0.349764  0.608569  1
  C  C268  1  0.056023  0.527617  0.608102  1
  C  C269  1  0.556396  0.528635  0.617540  1
  C  C270  1  0.376914  0.726661  0.817202  1
  C  C271  1  0.876914  0.726661  0.817202  1
  C  C272  1  0.466496  0.183802  0.885059  1
  C  C273  1  0.964996  0.189785  0.887431  1
  C  C274  1  0.464159  0.439329  0.321565  1
  C  C275  1  0.964738  0.438575  0.317506  1
  C  C276  1  0.056023  0.472364  0.108102  1
  C  C277  1  0.557960  0.466968  0.112932  1
  C  C278  1  0.285305  0.310196  0.387431  1
  C  C279  1  0.785305  0.310196  0.387431  1
  C  C280  1  0.137214  0.092584  0.430701  1
  C  C281  1  0.637214  0.092584  0.430701  1
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