# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.16253912
_cell_length_b   22.77405154
_cell_length_c   50.42077901
_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   C560
_cell_volume   23152.3497072
_cell_formula_units_Z   560
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  0.565584  0.845512  0.423256  1
  C  C2  1  0.178749  0.946441  0.370722  1
  C  C3  1  0.317386  0.740843  0.401099  1
  C  C4  1  0.748197  0.216618  0.409812  1
  C  C5  1  0.562014  0.967130  0.333927  1
  C  C6  1  0.884867  0.727443  0.349219  1
  C  C7  1  0.678875  0.799418  0.441490  1
  C  C8  1  0.984619  0.927906  0.384838  1
  C  C9  1  0.887606  0.784313  0.426158  1
  C  C10  1  0.387635  0.219713  0.444814  1
  C  C11  1  0.967852  0.849869  0.344033  1
  C  C12  1  0.317645  0.946441  0.370722  1
  C  C13  1  0.065526  0.100644  0.370596  1
  C  C14  1  0.972998  0.919402  0.351907  1
  C  C15  1  0.108719  0.161903  0.367860  1
  C  C16  1  0.887198  0.736351  0.401913  1
  C  C17  1  0.248197  0.897045  0.415021  1
  C  C18  1  0.748197  0.045515  0.377254  1
  C  C19  1  0.970329  0.812663  0.371869  1
  C  C20  1  0.387675  0.161903  0.367860  1
  C  C21  1  0.523396  0.919402  0.351907  1
  C  C22  1  0.679078  0.035522  0.394263  1
  C  C23  1  0.248197  0.680868  0.360212  1
  C  C24  1  0.317609  0.076470  0.345258  1
  C  C25  1  0.178741  0.909111  0.398841  1
  C  C26  1  0.939053  0.983840  0.399857  1
  C  C27  1  0.572077  0.328071  0.317745  1
  C  C28  1  0.889660  0.017246  0.347826  1
  C  C29  1  0.248197  0.972344  0.358281  1
  C  C30  1  0.678953  0.203940  0.393700  1
  C  C31  1  0.065531  0.121561  0.475263  1
  C  C32  1  0.817441  0.203940  0.393700  1
  C  C33  1  0.023629  0.134270  0.421536  1
  C  C34  1  0.473146  0.027048  0.441896  1
  C  C35  1  0.606734  0.017246  0.347826  1
  C  C36  1  0.924316  0.328071  0.317745  1
  C  C37  1  0.248197  0.038701  0.345229  1
  C  C38  1  0.108759  0.219713  0.444814  1
  C  C39  1  0.817316  0.035522  0.394263  1
  C  C40  1  0.388073  0.923153  0.413723  1
  C  C41  1  0.526065  0.812663  0.371869  1
  C  C42  1  0.438555  0.962052  0.394058  1
  C  C43  1  0.108712  0.005178  0.485981  1
  C  C44  1  0.748197  0.696641  0.344311  1
  C  C45  1  0.609196  0.736351  0.401913  1
  C  C46  1  0.178784  0.076470  0.345258  1
  C  C47  1  0.023248  0.027048  0.441896  1
  C  C48  1  0.108344  0.982141  0.369305  1
  C  C49  1  0.317517  0.146872  0.352583  1
  C  C50  1  0.888143  0.964002  0.424472  1
  C  C51  1  0.528542  0.849869  0.344033  1
  C  C52  1  0.748197  0.227283  0.313460  1
  C  C53  1  0.012148  0.018247  0.409243  1
  C  C54  1  0.608251  0.964002  0.424472  1
  C  C55  1  0.608787  0.784313  0.426158  1
  C  C56  1  0.178987  0.173746  0.488931  1
  C  C57  1  0.511775  0.927906  0.384838  1
  C  C58  1  0.484246  0.018247  0.409243  1
  C  C59  1  0.817519  0.799418  0.441490  1
  C  C60  1  0.248197  0.204312  0.478680  1
  C  C61  1  0.472773  0.096917  0.449671  1
  C  C62  1  0.611527  0.727443  0.349219  1
  C  C63  1  0.934380  0.967130  0.333927  1
  C  C64  1  0.317522  0.968267  0.487208  1
  C  C65  1  0.177237  0.370761  0.303297  1
  C  C66  1  0.317407  0.173746  0.488931  1
  C  C67  1  0.930810  0.845512  0.423256  1
  C  C68  1  0.065514  0.981634  0.460292  1
  C  C69  1  0.881108  0.262718  0.320368  1
  C  C70  1  0.607754  0.022739  0.379924  1
  C  C71  1  0.023288  0.086156  0.397368  1
  C  C72  1  0.817506  -0.000576  0.422617  1
  C  C73  1  0.430860  0.195858  0.419275  1
  C  C74  1  0.748197  0.183158  0.496310  1
  C  C75  1  0.748197  0.765257  0.434098  1
  C  C76  1  0.679256  0.696474  0.361013  1
  C  C77  1  0.831211  0.487851  0.303975  1
  C  C78  1  0.387646  0.209551  0.392229  1
  C  C79  1  0.818723  0.248990  0.303451  1
  C  C80  1  0.902872  0.377718  0.298516  1
  C  C81  1  0.679006  0.075054  0.491703  1
  C  C82  1  0.609001  0.898512  0.437512  1
  C  C83  1  0.248197  0.241538  0.450626  1
  C  C84  1  0.109007  0.928831  0.445954  1
  C  C85  1  0.108746  0.075220  0.493473  1
  C  C86  1  0.248197  0.334645  0.301785  1
  C  C87  1  0.473106  0.086156  0.397368  1
  C  C88  1  0.065534  0.195858  0.419275  1
  C  C89  1  0.317653  0.909111  0.398841  1
  C  C90  1  0.567745  0.750603  0.374349  1
  C  C91  1  0.817651  0.869903  0.448671  1
  C  C92  1  0.430880  0.981634  0.460292  1
  C  C93  1  0.748197  0.039251  0.345118  1
  C  C94  1  0.892945  0.445052  0.305636  1
  C  C95  1  0.748197  0.112653  0.488903  1
  C  C96  1  0.178872  0.968267  0.487208  1
  C  C97  1  0.057839  0.962052  0.394058  1
  C  C98  1  0.972779  0.860020  0.396428  1
  C  C99  1  0.928649  0.750603  0.374349  1
  C  C100  1  0.317405  0.247142  0.433616  1
  C  C101  1  0.023621  0.096917  0.449671  1
  C  C102  1  0.557341  0.983840  0.399857  1
  C  C103  1  0.387372  0.047724  0.356347  1
  C  C104  1  0.472765  0.134270  0.421536  1
  C  C105  1  0.108321  0.923153  0.413723  1
  C  C106  1  0.387637  0.182672  0.472726  1
  C  C107  1  0.430863  0.121561  0.475263  1
  C  C108  1  0.109022  0.047724  0.356347  1
  C  C109  1  0.523615  0.860020  0.396428  1
  C  C110  1  0.319156  0.370761  0.303297  1
  C  C111  1  0.178778  0.920748  0.462629  1
  C  C112  1  0.248197  0.728576  0.384802  1
  C  C113  1  0.603449  0.445052  0.305636  1
  C  C114  1  0.748197  0.907638  0.448598  1
  C  C115  1  0.678743  0.869903  0.448671  1
  C  C116  1  0.317616  0.920748  0.462629  1
  C  C117  1  0.819007  0.025206  0.329485  1
  C  C118  1  0.387648  0.075220  0.493473  1
  C  C119  1  0.887393  0.898512  0.437512  1
  C  C120  1  0.677387  0.025206  0.329485  1
  C  C121  1  0.817388  0.075054  0.491703  1
  C  C122  1  0.593522  0.377718  0.298516  1
  C  C123  1  0.677670  0.248990  0.303451  1
  C  C124  1  0.108748  0.209551  0.392229  1
  C  C125  1  0.748197  0.973710  0.435299  1
  C  C126  1  0.387387  0.928831  0.445954  1
  C  C127  1  0.430868  0.100644  0.370596  1
  C  C128  1  0.665183  0.487851  0.303975  1
  C  C129  1  0.817138  0.696474  0.361013  1
  C  C130  1  0.248197  0.902875  0.447605  1
  C  C131  1  0.248197  0.262414  0.298760  1
  C  C132  1  0.178877  0.146872  0.352583  1
  C  C133  1  0.178989  0.247142  0.433616  1
  C  C134  1  0.387682  0.005178  0.485981  1
  C  C135  1  0.388050  0.982141  0.369305  1
  C  C136  1  0.179008  0.740843  0.401099  1
  C  C137  1  0.108757  0.182672  0.472726  1
  C  C138  1  0.678888  -0.000576  0.422617  1
  C  C139  1  0.888640  0.022739  0.379924  1
  C  C140  1  0.615285  0.262718  0.320368  1
  C  C141  1  0.565584  0.345512  0.423256  1
  C  C142  1  0.178749  0.446441  0.370722  1
  C  C143  1  0.317386  0.240843  0.401099  1
  C  C144  1  0.748197  0.716618  0.409812  1
  C  C145  1  0.562014  0.467130  0.333927  1
  C  C146  1  0.884867  0.227443  0.349219  1
  C  C147  1  0.678875  0.299418  0.441490  1
  C  C148  1  0.984619  0.427906  0.384838  1
  C  C149  1  0.887606  0.284313  0.426158  1
  C  C150  1  0.387635  0.719713  0.444814  1
  C  C151  1  0.967852  0.349869  0.344033  1
  C  C152  1  0.317645  0.446441  0.370722  1
  C  C153  1  0.065526  0.600644  0.370596  1
  C  C154  1  0.972998  0.419402  0.351907  1
  C  C155  1  0.108719  0.661903  0.367860  1
  C  C156  1  0.887198  0.236351  0.401913  1
  C  C157  1  0.248197  0.397045  0.415021  1
  C  C158  1  0.748197  0.545515  0.377254  1
  C  C159  1  0.970329  0.312663  0.371869  1
  C  C160  1  0.387675  0.661903  0.367860  1
  C  C161  1  0.523396  0.419402  0.351907  1
  C  C162  1  0.679078  0.535522  0.394263  1
  C  C163  1  0.248197  0.180868  0.360212  1
  C  C164  1  0.317609  0.576470  0.345258  1
  C  C165  1  0.178741  0.409111  0.398841  1
  C  C166  1  0.939053  0.483840  0.399857  1
  C  C167  1  0.572077  0.828071  0.317745  1
  C  C168  1  0.889660  0.517246  0.347826  1
  C  C169  1  0.248197  0.472344  0.358281  1
  C  C170  1  0.678953  0.703940  0.393700  1
  C  C171  1  0.065531  0.621561  0.475263  1
  C  C172  1  0.817441  0.703940  0.393700  1
  C  C173  1  0.023629  0.634270  0.421536  1
  C  C174  1  0.473146  0.527048  0.441896  1
  C  C175  1  0.606734  0.517246  0.347826  1
  C  C176  1  0.924316  0.828071  0.317745  1
  C  C177  1  0.248197  0.538701  0.345229  1
  C  C178  1  0.108759  0.719713  0.444814  1
  C  C179  1  0.817316  0.535522  0.394263  1
  C  C180  1  0.388073  0.423153  0.413723  1
  C  C181  1  0.526065  0.312663  0.371869  1
  C  C182  1  0.438555  0.462052  0.394058  1
  C  C183  1  0.108712  0.505178  0.485981  1
  C  C184  1  0.748197  0.196641  0.344311  1
  C  C185  1  0.609196  0.236351  0.401913  1
  C  C186  1  0.178784  0.576470  0.345258  1
  C  C187  1  0.023248  0.527048  0.441896  1
  C  C188  1  0.108344  0.482141  0.369305  1
  C  C189  1  0.317517  0.646872  0.352583  1
  C  C190  1  0.888143  0.464002  0.424472  1
  C  C191  1  0.528542  0.349869  0.344033  1
  C  C192  1  0.748197  0.727283  0.313460  1
  C  C193  1  0.012148  0.518247  0.409243  1
  C  C194  1  0.608251  0.464002  0.424472  1
  C  C195  1  0.608787  0.284313  0.426158  1
  C  C196  1  0.178987  0.673746  0.488931  1
  C  C197  1  0.511775  0.427906  0.384838  1
  C  C198  1  0.484246  0.518247  0.409243  1
  C  C199  1  0.817519  0.299418  0.441490  1
  C  C200  1  0.248197  0.704312  0.478680  1
  C  C201  1  0.472773  0.596917  0.449671  1
  C  C202  1  0.611527  0.227443  0.349219  1
  C  C203  1  0.934380  0.467130  0.333927  1
  C  C204  1  0.317522  0.468267  0.487208  1
  C  C205  1  0.177237  0.870761  0.303297  1
  C  C206  1  0.317407  0.673746  0.488931  1
  C  C207  1  0.930810  0.345512  0.423256  1
  C  C208  1  0.065514  0.481634  0.460292  1
  C  C209  1  0.881108  0.762718  0.320368  1
  C  C210  1  0.607754  0.522739  0.379924  1
  C  C211  1  0.023288  0.586156  0.397368  1
  C  C212  1  0.817506  0.499424  0.422617  1
  C  C213  1  0.430860  0.695858  0.419275  1
  C  C214  1  0.748197  0.683158  0.496310  1
  C  C215  1  0.748197  0.265257  0.434098  1
  C  C216  1  0.679256  0.196474  0.361013  1
  C  C217  1  0.831211  0.987851  0.303975  1
  C  C218  1  0.387646  0.709551  0.392229  1
  C  C219  1  0.818723  0.748990  0.303451  1
  C  C220  1  0.902872  0.877718  0.298516  1
  C  C221  1  0.679006  0.575054  0.491703  1
  C  C222  1  0.609001  0.398512  0.437512  1
  C  C223  1  0.248197  0.741538  0.450626  1
  C  C224  1  0.109007  0.428831  0.445954  1
  C  C225  1  0.108746  0.575220  0.493473  1
  C  C226  1  0.248197  0.834645  0.301785  1
  C  C227  1  0.473106  0.586156  0.397368  1
  C  C228  1  0.065534  0.695858  0.419275  1
  C  C229  1  0.317653  0.409111  0.398841  1
  C  C230  1  0.567745  0.250603  0.374349  1
  C  C231  1  0.817651  0.369903  0.448671  1
  C  C232  1  0.430880  0.481634  0.460292  1
  C  C233  1  0.748197  0.539251  0.345118  1
  C  C234  1  0.892945  0.945052  0.305636  1
  C  C235  1  0.748197  0.612653  0.488903  1
  C  C236  1  0.178872  0.468267  0.487208  1
  C  C237  1  0.057839  0.462052  0.394058  1
  C  C238  1  0.972779  0.360020  0.396428  1
  C  C239  1  0.928649  0.250603  0.374349  1
  C  C240  1  0.317405  0.747142  0.433616  1
  C  C241  1  0.023621  0.596917  0.449671  1
  C  C242  1  0.557341  0.483840  0.399857  1
  C  C243  1  0.387372  0.547724  0.356347  1
  C  C244  1  0.472765  0.634270  0.421536  1
  C  C245  1  0.108321  0.423153  0.413723  1
  C  C246  1  0.387637  0.682672  0.472726  1
  C  C247  1  0.430863  0.621561  0.475263  1
  C  C248  1  0.109022  0.547724  0.356347  1
  C  C249  1  0.523615  0.360020  0.396428  1
  C  C250  1  0.319156  0.870761  0.303297  1
  C  C251  1  0.178778  0.420748  0.462629  1
  C  C252  1  0.248197  0.228576  0.384802  1
  C  C253  1  0.603449  0.945052  0.305636  1
  C  C254  1  0.748197  0.407638  0.448598  1
  C  C255  1  0.678743  0.369903  0.448671  1
  C  C256  1  0.317616  0.420748  0.462629  1
  C  C257  1  0.819007  0.525206  0.329485  1
  C  C258  1  0.387648  0.575220  0.493473  1
  C  C259  1  0.887393  0.398512  0.437512  1
  C  C260  1  0.677387  0.525206  0.329485  1
  C  C261  1  0.817388  0.575054  0.491703  1
  C  C262  1  0.593522  0.877718  0.298516  1
  C  C263  1  0.677670  0.748990  0.303451  1
  C  C264  1  0.108748  0.709551  0.392229  1
  C  C265  1  0.748197  0.473710  0.435299  1
  C  C266  1  0.387387  0.428831  0.445954  1
  C  C267  1  0.430868  0.600644  0.370596  1
  C  C268  1  0.665183  0.987851  0.303975  1
  C  C269  1  0.817138  0.196474  0.361013  1
  C  C270  1  0.248197  0.402875  0.447605  1
  C  C271  1  0.248197  0.762414  0.298760  1
  C  C272  1  0.178877  0.646872  0.352583  1
  C  C273  1  0.178989  0.747142  0.433616  1
  C  C274  1  0.387682  0.505178  0.485981  1
  C  C275  1  0.388050  0.482141  0.369305  1
  C  C276  1  0.179008  0.240843  0.401099  1
  C  C277  1  0.108757  0.682672  0.472726  1
  C  C278  1  0.678888  0.499424  0.422617  1
  C  C279  1  0.888640  0.522739  0.379924  1
  C  C280  1  0.615285  0.762718  0.320368  1
  C  C281  1  0.565526  0.581702  0.622863  1
  C  C282  1  0.178888  0.682921  0.570842  1
  C  C283  1  0.317441  0.478406  0.599759  1
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