# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.31399915
_cell_length_b   19.55630793
_cell_length_c   20.15062502
_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   9187.39026029
_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  0.387562  0.591725  0.431297  1
  C  C2  1  0.887409  0.593648  0.433393  1
  C  C3  1  0.036325  0.557402  0.818540  1
  C  C4  1  0.536089  0.560465  0.817981  1
  C  C5  1  0.377535  0.726166  0.679257  1
  C  C6  1  0.877535  0.726166  0.679257  1
  C  C7  1  0.099671  0.238342  0.248492  1
  C  C8  1  0.599671  0.238342  0.248492  1
  C  C9  1  0.113870  0.593648  0.433393  1
  C  C10  1  0.613718  0.591725  0.431297  1
  C  C11  1  0.465451  0.808992  0.108966  1
  C  C12  1  0.965489  0.812642  0.111566  1
  C  C13  1  0.330921  0.614042  0.317861  1
  C  C14  1  0.830700  0.616299  0.320059  1
  C  C15  1  0.000640  0.571584  0.000449  1
  C  C16  1  0.500640  0.560560  0.012258  1
  C  C17  1  0.351723  0.649282  0.108919  1
  C  C18  1  0.854403  0.650524  0.110968  1
  C  C19  1  0.035829  0.188906  0.605687  1
  C  C20  1  0.535829  0.189360  0.608966  1
  C  C21  1  0.035776  0.697061  0.025687  1
  C  C22  1  0.536116  0.692763  0.023790  1
  C  C23  1  0.036122  0.559316  0.679662  1
  C  C24  1  0.536089  0.560465  0.679002  1
  C  C25  1  0.115093  0.403193  0.929806  1
  C  C26  1  0.613718  0.406626  0.931297  1
  C  C27  1  0.056845  0.615870  0.022344  1
  C  C28  1  0.556775  0.612674  0.023411  1
  C  C29  1  0.150127  0.345819  0.886215  1
  C  C30  1  0.649556  0.349069  0.888064  1
  C  C31  1  0.373005  0.729173  0.108954  1
  C  C32  1  0.873800  0.731256  0.111512  1
  C  C33  1  0.429103  0.551093  0.748492  1
  C  C34  1  0.928853  0.549031  0.748770  1
  C  C35  1  0.071970  0.450380  0.249603  1
  C  C36  1  0.572176  0.447258  0.248492  1
  C  C37  1  0.465164  0.692763  0.023790  1
  C  C38  1  0.965504  0.697061  0.025687  1
  C  C39  1  0.149732  0.348560  0.607065  1
  C  C40  1  0.649556  0.349069  0.608919  1
  C  C41  1  0.056759  0.614339  0.475463  1
  C  C42  1  0.556775  0.612674  0.473572  1
  C  C43  1  0.036255  0.440357  0.318619  1
  C  C44  1  0.536089  0.437886  0.317981  1
  C  C45  1  0.423274  0.840252  0.748492  1
  C  C46  1  0.923274  0.840252  0.748492  1
  C  C47  1  0.149002  0.463184  0.678245  1
  C  C48  1  0.648614  0.464350  0.679031  1
  C  C49  1  0.465191  0.560465  0.817981  1
  C  C50  1  0.964955  0.557402  0.818540  1
  C  C51  1  0.500640  0.484486  0.058019  1
  C  C52  1  0.321218  0.251309  0.431267  1
  C  C53  1  0.821218  0.251309  0.431267  1
  C  C54  1  0.115745  0.519487  0.110272  1
  C  C55  1  0.613618  0.519992  0.109224  1
  C  C56  1  0.072427  0.549031  0.748770  1
  C  C57  1  0.572176  0.551093  0.748492  1
  C  C58  1  0.123744  0.272185  0.317726  1
  C  C59  1  0.623744  0.272185  0.317726  1
  C  C60  1  0.430061  0.247042  0.931267  1
  C  C61  1  0.930038  0.243386  0.928540  1
  C  C62  1  0.123744  0.272185  0.179257  1
  C  C63  1  0.623744  0.272185  0.179257  1
  C  C64  1  0.035836  0.300645  0.971393  1
  C  C65  1  0.536116  0.305588  0.973193  1
  C  C66  1  0.444505  0.385677  0.523411  1
  C  C67  1  0.944519  0.386080  0.522409  1
  C  C68  1  0.113890  0.521963  0.389639  1
  C  C69  1  0.613618  0.519992  0.387760  1
  C  C70  1  0.321218  0.251309  0.065716  1
  C  C71  1  0.821218  0.251309  0.065716  1
  C  C72  1  0.130093  0.500293  0.748097  1
  C  C73  1  0.629711  0.502110  0.748492  1
  C  C74  1  0.035801  0.186086  0.884641  1
  C  C75  1  0.535829  0.189360  0.888017  1
  C  C76  1  0.037499  0.438274  0.178277  1
  C  C77  1  0.536089  0.437886  0.179002  1
  C  C78  1  0.444666  0.526653  0.608543  1
  C  C79  1  0.944500  0.526214  0.608936  1
  C  C80  1  0.465164  0.692763  0.473193  1
  C  C81  1  0.965168  0.694452  0.475437  1
  C  C82  1  1.000640  0.514079  0.558502  1
  C  C83  1  0.500640  0.513865  0.558019  1
  C  C84  1  0.351723  0.349069  0.888064  1
  C  C85  1  0.851153  0.345819  0.886215  1
  C  C86  1  0.465273  0.838505  0.248492  1
  C  C87  1  0.965274  0.840972  0.251222  1
  C  C88  1  0.373005  0.729173  0.388029  1
  C  C89  1  0.872984  0.731193  0.390443  1
  C  C90  1  0.149280  0.461769  0.816964  1
  C  C91  1  0.648614  0.464350  0.817952  1
  C  C92  1  0.444505  0.385677  0.973572  1
  C  C93  1  0.944301  0.381640  0.970942  1
  C  C94  1  0.057643  0.523702  0.887875  1
  C  C95  1  0.556613  0.526653  0.888440  1
  C  C96  1  0.170681  0.383145  0.677522  1
  C  C97  1  0.670359  0.384309  0.679123  1
  C  C98  1  0.444666  0.471698  0.108543  1
  C  C99  1  0.930410  0.459695  0.114497  1
  C  C100  1  0.036111  0.694452  0.475437  1
  C  C101  1  0.536116  0.692763  0.473193  1
  C  C102  1  0.286007  0.338505  0.248492  1
  C  C103  1  0.786007  0.338505  0.248492  1
  C  C104  1  1.000640  0.430897  0.970987  1
  C  C105  1  0.500640  0.437791  0.984725  1
  C  C106  1  0.444666  0.471698  0.388440  1
  C  C107  1  0.944524  0.473888  0.389331  1
  C  C108  1  0.351723  0.649282  0.388064  1
  C  C109  1  0.851613  0.651348  0.390390  1
  C  C110  1  0.430909  0.176789  0.817744  1
  C  C111  1  0.930914  0.174317  0.814301  1
  C  C112  1  0.000640  0.562099  0.486035  1
  C  C113  1  0.500640  0.560560  0.484725  1
  C  C114  1  1.000640  0.438390  0.512179  1
  C  C115  1  0.500640  0.437791  0.512258  1
  C  C116  1  0.330921  0.614042  0.179123  1
  C  C117  1  0.831407  0.616187  0.181311  1
  C  C118  1  0.465273  0.159846  0.748492  1
  C  C119  1  0.965271  0.158028  0.744896  1
  C  C120  1  0.465164  0.305588  0.523790  1
  C  C121  1  0.965166  0.305979  0.521711  1
  C  C122  1  0.465451  0.808992  0.388017  1
  C  C123  1  0.965452  0.810968  0.390645  1
  C  C124  1  0.111436  0.593340  0.068353  1
  C  C125  1  0.613718  0.591725  0.065686  1
  C  C126  1  0.330921  0.384309  0.679123  1
  C  C127  1  0.830599  0.383145  0.677522  1
  C  C128  1  0.373744  0.226166  0.817726  1
  C  C129  1  0.873776  0.223809  0.814770  1
  C  C130  1  0.430909  0.176789  0.679239  1
  C  C131  1  0.930884  0.175653  0.675823  1
  C  C132  1  0.387562  0.591725  0.065686  1
  C  C133  1  0.889843  0.593340  0.068353  1
  C  C134  1  0.387562  0.406626  0.931297  1
  C  C135  1  0.886187  0.403193  0.929806  1
  C  C136  1  0.285829  0.308992  0.108966  1
  C  C137  1  0.785829  0.308992  0.108966  1
  C  C138  1  0.056756  0.473888  0.389331  1
  C  C139  1  0.556613  0.471698  0.388440  1
  C  C140  1  0.056979  0.381640  0.970942  1
  C  C141  1  0.556775  0.385677  0.973572  1
  C  C142  1  0.465191  0.437886  0.179002  1
  C  C143  1  0.963781  0.438274  0.178277  1
  C  C144  1  0.071262  0.246993  0.562994  1
  C  C145  1  0.571218  0.247042  0.565716  1
  C  C146  1  0.423274  0.158099  0.248492  1
  C  C147  1  0.923274  0.158099  0.248492  1
  C  C148  1  0.328005  0.658099  0.248492  1
  C  C149  1  0.828080  0.660411  0.250711  1
  C  C150  1  0.430909  0.821562  0.317744  1
  C  C151  1  0.930903  0.823741  0.320404  1
  C  C152  1  0.420359  0.114042  0.179123  1
  C  C153  1  0.920359  0.114042  0.179123  1
  C  C154  1  0.128338  0.268714  0.606393  1
  C  C155  1  0.628275  0.269178  0.608954  1
  C  C156  1  0.320371  0.321562  0.179239  1
  C  C157  1  0.820371  0.321562  0.179239  1
  C  C158  1  0.378275  0.229173  0.108954  1
  C  C159  1  0.878275  0.229173  0.108954  1
  C  C160  1  0.377535  0.272185  0.317726  1
  C  C161  1  0.877535  0.272185  0.317726  1
  C  C162  1  0.387662  0.519992  0.387760  1
  C  C163  1  0.887389  0.521963  0.389639  1
  C  C164  1  0.036008  0.158028  0.744896  1
  C  C165  1  0.536007  0.159846  0.748492  1
  C  C166  1  0.387662  0.478359  0.887760  1
  C  C167  1  0.887078  0.475418  0.887175  1
  C  C168  1  0.373005  0.269178  0.888029  1
  C  C169  1  0.873033  0.266052  0.885414  1
  C  C170  1  0.349671  0.260009  0.748492  1
  C  C171  1  0.849601  0.258201  0.745810  1
  C  C172  1  0.056761  0.386080  0.522409  1
  C  C173  1  0.556775  0.385677  0.523411  1
  C  C174  1  0.071241  0.243386  0.928540  1
  C  C175  1  0.571218  0.247042  0.931267  1
  C  C176  1  0.465191  0.560465  0.679002  1
  C  C177  1  0.965158  0.559316  0.679662  1
  C  C178  1  0.430061  0.751309  0.431267  1
  C  C179  1  0.930067  0.753159  0.433734  1
  C  C180  1  0.352666  0.534001  0.179031  1
  C  C181  1  0.851110  0.536196  0.181740  1
  C  C182  1  0.387562  0.406626  0.565686  1
  C  C183  1  0.887404  0.406650  0.564544  1
  C  C184  1  0.129757  0.498722  0.250357  1
  C  C185  1  0.629711  0.496241  0.248492  1
  C  C186  1  0.399556  0.149282  0.108919  1
  C  C187  1  0.899556  0.149282  0.108919  1
  C  C188  1  0.401609  0.238342  0.248492  1
  C  C189  1  0.901609  0.238342  0.248492  1
  C  C190  1  0.330921  0.384309  0.817861  1
  C  C191  1  0.830409  0.381870  0.816135  1
  C  C192  1  0.000640  0.511565  0.940112  1
  C  C193  1  0.500640  0.513865  0.938964  1
  C  C194  1  0.444505  0.612674  0.023411  1
  C  C195  1  0.944434  0.615870  0.022344  1
  C  C196  1  0.430061  0.751309  0.065716  1
  C  C197  1  0.930273  0.754862  0.067946  1
  C  C198  1  0.070395  0.175653  0.675823  1
  C  C199  1  0.570371  0.176789  0.679239  1
  C  C200  1  0.465164  0.305588  0.973193  1
  C  C201  1  0.965443  0.300645  0.971393  1
  C  C202  1  1.000640  0.486372  0.439598  1
  C  C203  1  0.500640  0.484486  0.438964  1
  C  C204  1  0.113817  0.477970  0.608741  1
  C  C205  1  0.613618  0.478359  0.609224  1
  C  C206  1  0.036113  0.305979  0.521711  1
  C  C207  1  0.536116  0.305588  0.523790  1
  C  C208  1  0.444666  0.526653  0.888440  1
  C  C209  1  0.943637  0.523702  0.887875  1
  C  C210  1  0.465451  0.189360  0.608966  1
  C  C211  1  0.965450  0.188906  0.605687  1
  C  C212  1  0.430061  0.247042  0.565716  1
  C  C213  1  0.930018  0.246993  0.562994  1
  C  C214  1  0.114201  0.475418  0.887175  1
  C  C215  1  0.613618  0.478359  0.887760  1
  C  C216  1  0.444505  0.612674  0.473572  1
  C  C217  1  0.944521  0.614339  0.475463  1
  C  C218  1  0.373744  0.226166  0.679257  1
  C  C219  1  0.873711  0.225023  0.676303  1
  C  C220  1  0.352666  0.464350  0.817952  1
  C  C221  1  0.852000  0.461769  0.816964  1
  C  C222  1  0.401609  0.760009  0.748492  1
  C  C223  1  0.901609  0.760009  0.748492  1
  C  C224  1  0.399556  0.149282  0.388064  1
  C  C225  1  0.899556  0.149282  0.388064  1
  C  C226  1  0.371568  0.496241  0.248492  1
  C  C227  1  0.871523  0.498722  0.250357  1
  C  C228  1  0.352666  0.534001  0.317952  1
  C  C229  1  0.852256  0.536294  0.320118  1
  C  C230  1  0.352666  0.464350  0.679031  1
  C  C231  1  0.852278  0.463184  0.678245  1
  C  C232  1  0.150169  0.536196  0.181740  1
  C  C233  1  0.648614  0.534001  0.179031  1
  C  C234  1  0.373005  0.269178  0.608954  1
  C  C235  1  0.872942  0.268714  0.606393  1
  C  C236  1  0.387662  0.519992  0.109224  1
  C  C237  1  0.885535  0.519487  0.110272  1
  C  C238  1  0.149023  0.536294  0.320118  1
  C  C239  1  0.648614  0.534001  0.317952  1
  C  C240  1  0.377535  0.272185  0.179257  1
  C  C241  1  0.877535  0.272185  0.179257  1
  C  C242  1  0.378275  0.229173  0.388029  1
  C  C243  1  0.878275  0.229173  0.388029  1
  C  C244  1  0.320371  0.321562  0.317744  1
  C  C245  1  0.820371  0.321562  0.317744  1
  C  C246  1  0.128246  0.266052  0.885414  1
  C  C247  1  0.628275  0.269178  0.888029  1
  C  C248  1  0.429103  0.447258  0.248492  1
  C  C249  1  0.929310  0.450380  0.249603  1
  C  C250  1  0.387662  0.478359  0.609224  1
  C  C251  1  0.887462  0.477970  0.608741  1
  C  C252  1  0.113876  0.406650  0.564544  1
  C  C253  1  0.613718  0.406626  0.565686  1
  C  C254  1  0.420359  0.114042  0.317861  1
  C  C255  1  0.920359  0.114042  0.317861  1
  C  C256  1  0.430909  0.821562  0.179239  1
  C  C257  1  0.930909  0.824311  0.181902  1
  C  C258  1  0.371568  0.502110  0.748492  1
  C  C259  1  0.871187  0.500293  0.748097  1
  C  C260  1  0.328005  0.340252  0.748492  1
  C  C261  1  0.827692  0.338341  0.746458  1
  C  C262  1  0.170871  0.381870  0.816135  1
  C  C263  1  0.670359  0.384309  0.817861  1
  C  C264  1  0.070366  0.174317  0.814301  1
  C  C265  1  0.570371  0.176789  0.817744  1
  C  C266  1  0.351723  0.349069  0.608919  1
  C  C267  1  0.851547  0.348560  0.607065  1
  C  C268  1  0.056779  0.526214  0.608936  1
  C  C269  1  0.556613  0.526653  0.608543  1
  C  C270  1  0.377535  0.726166  0.817726  1
  C  C271  1  0.877535  0.726166  0.817726  1
  C  C272  1  0.465451  0.189360  0.888017  1
  C  C273  1  0.965478  0.186086  0.884641  1
  C  C274  1  0.465191  0.437886  0.317981  1
  C  C275  1  0.965024  0.440357  0.318619  1
  C  C276  1  0.070869  0.459695  0.114497  1
  C  C277  1  0.556613  0.471698  0.108543  1
  C  C278  1  0.285829  0.308992  0.388017  1
  C  C279  1  0.785829  0.308992  0.388017  1
  C  C280  1  0.137562  0.091725  0.431297  1
  C  C281  1  0.637562  0.091725  0.431297  1
  C  C282  1  0.286089  0.060465  0.817981  1
  C  C283  1  0.786089  0.060465  0.817981  1
  C  C284  1  0.127569  0.225023  0.676303  1
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