# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.63546576
_cell_length_b   17.66702279
_cell_length_c   49.41798032
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C672
_cell_volume   10950.7283279
_cell_formula_units_Z   672
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  0.366797  0.185037  0.295547  1
  C  C2  1  0.866799  0.185040  0.295547  1
  C  C3  1  0.691452  0.879726  0.246503  1
  C  C4  1  0.311794  0.564742  0.264458  1
  C  C5  1  0.191450  0.879727  0.246502  1
  C  C6  1  0.811789  0.564745  0.264464  1
  C  C7  1  0.407315  0.468776  0.322071  1
  C  C8  1  0.907315  0.468777  0.322073  1
  C  C9  1  0.772476  0.187398  0.274611  1
  C  C10  1  0.322650  0.819476  0.287230  1
  C  C11  1  0.272474  0.187396  0.274612  1
  C  C12  1  0.822643  0.819471  0.287229  1
  C  C13  1  0.476194  0.189973  0.281132  1
  C  C14  1  0.976196  0.189976  0.281132  1
  C  C15  1  0.025942  0.831814  0.319237  1
  C  C16  1  0.415195  0.550826  0.265552  1
  C  C17  1  0.525935  0.831808  0.319237  1
  C  C18  1  0.915191  0.550832  0.265557  1
  C  C19  1  0.455908  0.516716  0.290895  1
  C  C20  1  0.955911  0.516718  0.290898  1
  C  C21  1  0.047798  0.153936  0.299077  1
  C  C22  1  0.396621  0.861388  0.262619  1
  C  C23  1  0.547799  0.153936  0.299077  1
  C  C24  1  0.896614  0.861366  0.262617  1
  C  C25  1  0.423928  0.361244  0.276267  1
  C  C26  1  0.923930  0.361247  0.276267  1
  C  C27  1  0.000648  0.992532  0.298513  1
  C  C28  1  0.574329  0.631459  0.321422  1
  C  C29  1  0.500650  0.992535  0.298513  1
  C  C30  1  0.074333  0.631466  0.321423  1
  C  C31  1  0.483541  0.342858  0.302483  1
  C  C32  1  0.983548  0.342864  0.302482  1
  C  C33  1  0.869378  0.037727  0.249152  1
  C  C34  1  0.456555  0.711815  0.279722  1
  C  C35  1  0.369379  0.037726  0.249152  1
  C  C36  1  0.956571  0.711820  0.279723  1
  C  C37  1  0.303281  0.348937  0.287122  1
  C  C38  1  0.803281  0.348938  0.287122  1
  C  C39  1  0.870879  0.975368  0.307089  1
  C  C40  1  0.257164  0.704858  0.236405  1
  C  C41  1  0.370880  0.975369  0.307089  1
  C  C42  1  0.757013  0.704722  0.236418  1
  C  C43  1  0.248807  0.412918  0.272753  1
  C  C44  1  0.748804  0.412914  0.272750  1
  C  C45  1  0.837232  0.021577  0.282127  1
  C  C46  1  0.413676  0.671855  0.308493  1
  C  C47  1  0.337232  0.021577  0.282127  1
  C  C48  1  0.913683  0.671865  0.308494  1
  C  C49  1  0.958588  0.398225  0.245235  1
  C  C50  1  0.458609  0.398242  0.245238  1
  C  C51  1  0.567564  0.081729  0.282322  1
  C  C52  1  0.127220  0.696431  0.294968  1
  C  C53  1  0.067562  0.081728  0.282322  1
  C  C54  1  0.627214  0.696432  0.294968  1
  C  C55  1  0.104660  0.343258  0.301626  1
  C  C56  1  0.604653  0.343254  0.301628  1
  C  C57  1  0.698376  0.005363  0.322716  1
  C  C58  1  0.062433  0.711790  0.270255  1
  C  C59  1  0.198375  0.005363  0.322717  1
  C  C60  1  0.562424  0.711793  0.270257  1
  C  C61  1  0.305822  0.373128  0.322036  1
  C  C62  1  0.805821  0.373128  0.322035  1
  C  C63  1  0.685315  0.091284  0.272030  1
  C  C64  1  0.256837  0.723406  0.296771  1
  C  C65  1  0.185313  0.091282  0.272030  1
  C  C66  1  0.756831  0.723403  0.296770  1
  C  C67  1  0.129819  0.355770  0.270495  1
  C  C68  1  0.629815  0.355763  0.270496  1
  C  C69  1  0.730584  0.034842  0.290994  1
  C  C70  1  0.298737  0.671951  0.318372  1
  C  C71  1  0.230583  0.034841  0.290995  1
  C  C72  1  0.798735  0.671946  0.318371  1
  C  C73  1  0.232881  0.497541  0.284224  1
  C  C74  1  0.732871  0.497530  0.284225  1
  C  C75  1  0.837272  0.160286  0.327469  1
  C  C76  1  0.183903  0.873443  0.280200  1
  C  C77  1  0.337270  0.160286  0.327470  1
  C  C78  1  0.683905  0.873442  0.280201  1
  C  C79  1  0.230167  0.248912  0.290319  1
  C  C80  1  0.730168  0.248913  0.290320  1
  C  C81  1  0.768610  0.877761  0.305089  1
  C  C82  1  0.122499  0.580380  0.238734  1
  C  C83  1  0.268609  0.877763  0.305089  1
  C  C84  1  0.622626  0.580516  0.238735  1
  C  C85  1  0.153083  0.508387  0.307766  1
  C  C86  1  0.653074  0.508382  0.307766  1
  C  C87  1  0.504290  0.213319  0.248026  1
  C  C88  1  0.069213  0.871522  0.289202  1
  C  C89  1  0.004291  0.213321  0.248026  1
  C  C90  1  0.569212  0.871517  0.289202  1
  C  C91  1  0.156540  0.206812  0.317755  1
  C  C92  1  0.656542  0.206813  0.317756  1
  C  C93  1  0.504268  0.922666  0.274264  1
  C  C94  1  0.079971  0.559228  0.299858  1
  C  C95  1  0.004248  0.922655  0.274265  1
  C  C96  1  0.579967  0.559225  0.299855  1
  C  C97  1  0.557919  0.097239  0.369368  1
  C  C98  1  0.057919  0.097240  0.369368  1
  C  C99  1  0.948742  0.865280  0.337305  1
  C  C100  1  0.495757  0.462919  0.345505  1
  C  C101  1  0.448741  0.865279  0.337305  1
  C  C102  1  0.995761  0.462921  0.345506  1
  C  C103  1  0.610452  0.375810  0.388750  1
  C  C104  1  0.110453  0.375811  0.388750  1
  C  C105  1  0.963409  0.092278  0.348062  1
  C  C106  1  0.543359  0.740555  0.367394  1
  C  C107  1  0.463408  0.092277  0.348062  1
  C  C108  1  0.043360  0.740556  0.367394  1
  C  C109  1  0.681945  0.109225  0.363693  1
  C  C110  1  0.181945  0.109225  0.363693  1
  C  C111  1  0.242831  0.743393  0.387047  1
  C  C112  1  0.614445  0.469097  0.338140  1
  C  C113  1  0.742830  0.743392  0.387046  1
  C  C114  1  0.114449  0.469100  0.338139  1
  C  C115  1  0.663820  0.414449  0.356946  1
  C  C116  1  0.163820  0.414449  0.356946  1
  C  C117  1  0.233838  0.051892  0.380209  1
  C  C118  1  0.589455  0.789220  0.337610  1
  C  C119  1  0.733838  0.051891  0.380209  1
  C  C120  1  0.089458  0.789224  0.337610  1
  C  C121  1  0.629219  0.261412  0.345186  1
  C  C122  1  0.129219  0.261413  0.345186  1
  C  C123  1  0.202198  0.912062  0.371529  1
  C  C124  1  0.767039  0.538855  0.392854  1
  C  C125  1  0.702198  0.912058  0.371527  1
  C  C126  1  0.267039  0.538855  0.392855  1
  C  C127  1  0.694508  0.257388  0.373287  1
  C  C128  1  0.194505  0.257388  0.373287  1
  C  C129  1  0.077745  -0.002441  0.325413  1
  C  C130  1  0.633742  0.622140  0.350232  1
  C  C131  1  0.577745  -0.002442  0.325413  1
  C  C132  1  0.133743  0.622142  0.350233  1
  C  C133  1  0.506157  0.255053  0.354852  1
  C  C134  1  0.006158  0.255055  0.354851  1
  C  C135  1  0.078077  0.891113  0.380372  1
  C  C136  1  0.447378  0.620134  0.333421  1
  C  C137  1  0.578080  0.891113  0.380371  1
  C  C138  1  0.947379  0.620138  0.333421  1
  C  C139  1  0.459173  0.306880  0.333599  1
  C  C140  1  0.959176  0.306882  0.333598  1
  C  C141  1  0.040324  0.945245  0.354395  1
  C  C142  1  0.600739  0.582984  0.380514  1
  C  C143  1  0.540324  0.945243  0.354395  1
  C  C144  1  0.100739  0.582985  0.380515  1
  C  C145  1  0.178930  0.355742  0.330778  1
  C  C146  1  0.678929  0.355741  0.330778  1
  C  C147  1  0.752405  -0.005172  0.352343  1
  C  C148  1  0.319734  0.631995  0.377621  1
  C  C149  1  0.252405  -0.005172  0.352343  1
  C  C150  1  0.819733  0.631995  0.377620  1
  C  C151  1  0.321416  0.277413  0.372470  1
  C  C152  1  0.821419  0.277415  0.372469  1
  C  C153  1  0.897388  0.915033  0.392940  1
  C  C154  1  0.257319  0.633246  0.348454  1
  C  C155  1  0.397390  0.915034  0.392940  1
  C  C156  1  0.757318  0.633245  0.348453  1
  C  C157  1  0.511737  0.279797  0.389190  1
  C  C158  1  0.011738  0.279798  0.389189  1
  C  C159  1  0.874273  -0.001827  0.341263  1
  C  C160  1  0.445181  0.643557  0.367326  1
  C  C161  1  0.374272  -0.001828  0.341263  1
  C  C162  1  0.945182  0.643559  0.367327  1
  C  C163  1  0.351246  0.318397  0.342202  1
  C  C164  1  0.851249  0.318398  0.342201  1
  C  C165  1  0.917409  0.938480  0.360823  1
  C  C166  1  0.489262  0.590089  0.388532  1
  C  C167  1  0.417409  0.938479  0.360824  1
  C  C168  1  0.989261  0.590090  0.388532  1
  C  C169  1  0.467921  0.435109  0.376861  1
  C  C170  1  0.967921  0.435110  0.376862  1
  C  C171  1  0.031772  0.066764  0.400844  1
  C  C172  1  0.389109  0.788748  0.357892  1
  C  C173  1  0.531772  0.066765  0.400843  1
  C  C174  1  0.889108  0.788747  0.357891  1
  C  C175  1  0.410024  0.158654  0.354262  1
  C  C176  1  0.910025  0.158655  0.354261  1
  C  C177  1  0.977943  0.795906  0.382056  1
  C  C178  1  0.357695  0.526894  0.338406  1
  C  C179  1  0.477946  0.795906  0.382056  1
  C  C180  1  0.857695  0.526898  0.338406  1
  C  C181  1  0.347400  0.428138  0.382821  1
  C  C182  1  0.847399  0.428138  0.382821  1
  C  C183  1  0.718824  0.156064  0.334778  1
  C  C184  1  0.266988  0.783606  0.356315  1
  C  C185  1  0.218823  0.156064  0.334778  1
  C  C186  1  0.766987  0.783604  0.356314  1
  C  C187  1  0.353607  0.117939  0.389135  1
  C  C188  1  0.853607  0.117939  0.389135  1
  C  C189  1  0.717561  0.828355  0.334220  1
  C  C190  1  0.288566  0.481472  0.365830  1
  C  C191  1  0.217564  0.828351  0.334219  1
  C  C192  1  0.788567  0.481472  0.365830  1
  C  C193  1  0.757646  0.010475  0.437836  1
  C  C194  1  0.257646  0.010475  0.437836  1
  C  C195  1  0.124030  0.738741  0.393043  1
  C  C196  1  0.687913  0.373273  0.414795  1
  C  C197  1  0.624030  0.738740  0.393043  1
  C  C198  1  0.187913  0.373273  0.414795  1
  C  C199  1  0.814099  0.284216  0.458708  1
  C  C200  1  0.314098  0.284216  0.458708  1
  C  C201  1  0.180209  0.013534  0.411973  1
  C  C202  1  0.746308  0.648296  0.435689  1
  C  C203  1  0.680209  0.013534  0.411973  1
  C  C204  1  0.246308  0.648296  0.435690  1
  C  C205  1  0.878693  0.016323  0.433849  1
  C  C206  1  0.378694  0.016323  0.433850  1
  C  C207  1  0.446034  0.651783  0.457911  1
  C  C208  1  0.809651  0.379516  0.411466  1
  C  C209  1  0.946033  0.651783  0.457911  1
  C  C210  1  0.309650  0.379516  0.411466  1
  C  C211  1  0.867452  0.323988  0.427171  1
  C  C212  1  0.367452  0.323988  0.427171  1
  C  C213  1  0.434598  0.960135  0.449589  1
  C  C214  1  0.796585  0.687862  0.404000  1
  C  C215  1  0.934597  0.960135  0.449588  1
  C  C216  1  0.296586  0.687863  0.404001  1
  C  C217  1  0.835723  0.174755  0.414807  1
  C  C218  1  0.335722  0.174755  0.414808  1
  C  C219  1  0.404525  0.813674  0.438427  1
  C  C220  1  0.971623  0.446034  0.461269  1
  C  C221  1  0.904523  0.813674  0.438426  1
  C  C222  1  0.471623  0.446035  0.461269  1
  C  C223  1  0.900758  0.167866  0.443076  1
  C  C224  1  0.400758  0.167865  0.443077  1
  C  C225  1  0.270984  0.896039  0.396559  1
  C  C226  1  0.832767  0.531895  0.420611  1
  C  C227  1  0.770982  0.896038  0.396558  1
  C  C228  1  0.332768  0.531895  0.420611  1
  C  C229  1  0.710299  0.165174  0.425072  1
  C  C230  1  0.210299  0.165174  0.425072  1
  C  C231  1  0.278187  0.801046  0.448184  1
  C  C232  1  0.641721  0.528132  0.402169  1
  C  C233  1  0.778186  0.801046  0.448184  1
  C  C234  1  0.141722  0.528132  0.402170  1
  C  C235  1  0.666339  0.218606  0.403860  1
  C  C236  1  0.166338  0.218606  0.403860  1
  C  C237  1  0.236964  0.856045  0.426976  1
  C  C238  1  0.803869  0.491265  0.450856  1
  C  C239  1  0.736964  0.856045  0.426975  1
  C  C240  1  0.303870  0.491265  0.450856  1
  C  C241  1  0.388210  0.270143  0.400011  1
  C  C242  1  0.888211  0.270144  0.400010  1
  C  C243  1  0.953362  0.906179  0.422208  1
  C  C244  1  0.523063  0.540950  0.446695  1
  C  C245  1  0.453363  0.906179  0.422208  1
  C  C246  1  0.023062  0.540949  0.446695  1
  C  C247  1  0.526335  0.185473  0.440944  1
  C  C248  1  0.026335  0.185474  0.440943  1
  C  C249  1  0.093951  0.820264  0.464310  1
  C  C250  1  0.458756  0.549366  0.418705  1
  C  C251  1  0.593952  0.820264  0.464310  1
  C  C252  1  0.958755  0.549366  0.418705  1
  C  C253  1  0.715387  0.187674  0.459048  1
  C  C254  1  0.215387  0.187674  0.459048  1
  C  C255  1  0.080782  0.917400  0.413643  1
  C  C256  1  0.647917  0.551843  0.436268  1
  C  C257  1  0.580783  0.917399  0.413643  1
  C  C258  1  0.147917  0.551843  0.436268  1
  C  C259  1  0.553201  0.224886  0.410469  1
  C  C260  1  0.053200  0.224887  0.410468  1
  C  C261  1  0.123697  0.860768  0.434140  1
  C  C262  1  0.690039  0.496540  0.457301  1
  C  C263  1  0.623698  0.860769  0.434140  1
  C  C264  1  0.190040  0.496540  0.457301  1
  C  C265  1  0.668324  0.342156  0.446182  1
  C  C266  1  0.168325  0.342157  0.446182  1
  C  C267  1  0.236173  0.977394  0.469053  1
  C  C268  1  0.600175  0.705484  0.424155  1
  C  C269  1  0.736173  0.977394  0.469053  1
  C  C270  1  0.100174  0.705484  0.424155  1
  C  C271  1  0.614020  0.067712  0.425928  1
  C  C272  1  0.114020  0.067713  0.425928  1
  C  C273  1  0.181133  0.703797  0.449392  1
  C  C274  1  0.545559  0.430824  0.402741  1
  C  C275  1  0.681133  0.703797  0.449392  1
  C  C276  1  0.045560  0.430824  0.402741  1
  C  C277  1  0.547357  0.335825  0.450872  1
  C  C278  1  0.047357  0.335825  0.450872  1
  C  C279  1  0.911107  0.062994  0.404392  1
  C  C280  1  0.478871  0.698601  0.428702  1
  C  C281  1  0.411108  0.062994  0.404392  1
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