# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.99515978
_cell_length_b   23.46708817
_cell_length_c   53.37212315
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.06226421
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C840
_cell_volume   27827.8772661
_cell_formula_units_Z   840
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  0.100224  0.970542  0.387424  1
  C  C2  1  0.145561  0.429441  0.331739  1
  C  C3  1  0.365460  0.331040  0.294859  1
  C  C4  1  0.769049  0.811717  0.368031  1
  C  C5  1  0.234415  0.047824  0.261744  1
  C  C6  1  0.308313  0.641976  0.396264  1
  C  C7  1  0.163778  0.897603  0.352951  1
  C  C8  1  0.118044  0.597050  0.352436  1
  C  C9  1  0.226814  0.715758  0.331495  1
  C  C10  1  0.687513  0.131124  0.400832  1
  C  C11  1  0.206131  0.567954  0.387830  1
  C  C12  1  0.175348  0.318185  0.309022  1
  C  C13  1  0.970735  0.514871  0.354184  1
  C  C14  1  0.134779  0.574464  0.381929  1
  C  C15  1  0.920301  0.476509  0.350332  1
  C  C16  1  0.281582  0.692692  0.351671  1
  C  C17  1  0.211358  0.411892  0.287902  1
  C  C18  1  0.951161  0.779423  0.397644  1
  C  C19  1  0.234186  0.595506  0.363496  1
  C  C20  1  0.977067  0.255577  0.301636  1
  C  C21  1  0.263979  0.107393  0.264145  1
  C  C22  1  0.943577  0.850776  0.395109  1
  C  C23  1  0.433603  0.358282  0.333060  1
  C  C24  1  0.056265  0.291920  0.330185  1
  C  C25  1  0.175075  0.457270  0.307161  1
  C  C26  1  0.048065  0.647796  0.347807  1
  C  C27  1  0.871273  0.031746  0.285034  1
  C  C28  1  0.021319  0.638272  0.400735  1
  C  C29  1  0.139536  0.361367  0.331081  1
  C  C30  1  0.771931  0.851517  0.393103  1
  C  C31  1  0.896141  0.627372  0.268628  1
  C  C32  1  0.800715  0.740677  0.370387  1
  C  C33  1  0.910201  0.596817  0.318644  1
  C  C34  1  0.896872  0.060675  0.388384  1
  C  C35  1  0.193469  0.027701  0.242385  1
  C  C36  1  0.729974  0.577008  0.416174  1
  C  C37  1  0.078469  0.346268  0.342906  1
  C  C38  1  0.830111  0.552978  0.286573  1
  C  C39  1  0.972352  0.739608  0.372322  1
  C  C40  1  0.229193  0.291873  0.266405  1
  C  C41  1  0.385323  0.122212  0.255768  1
  C  C42  1  0.202815  0.238015  0.273041  1
  C  C43  1  0.829464  0.395338  0.410321  1
  C  C44  1  0.556611  0.917992  0.254593  1
  C  C45  1  0.223606  0.916056  0.397456  1
  C  C46  1  0.027395  0.400180  0.355804  1
  C  C47  1  0.007357  0.621492  0.299019  1
  C  C48  1  0.096247  0.482509  0.345313  1
  C  C49  1  0.984615  0.297768  0.326154  1
  C  C50  1  0.049785  0.712288  0.334797  1
  C  C51  1  0.338776  0.092414  0.269352  1
  C  C52  1  0.009883  0.883545  0.266400  1
  C  C53  1  0.026123  0.597583  0.328698  1
  C  C54  1  0.991844  0.936229  0.380641  1
  C  C55  1  0.168825  0.939178  0.377292  1
  C  C56  1  0.676651  0.341092  0.397217  1
  C  C57  1  0.223929  0.171504  0.263931  1
  C  C58  1  0.917197  0.020244  0.414295  1
  C  C59  1  0.192545  0.786560  0.330200  1
  C  C60  1  0.663867  0.275595  0.394765  1
  C  C61  1  0.825513  0.068192  0.382152  1
  C  C62  1  0.487237  0.031313  0.263858  1
  C  C63  1  0.087108  0.590125  0.405083  1
  C  C64  1  0.909467  0.229374  0.374906  1
  C  C65  1  0.738759  0.353757  0.385947  1
  C  C66  1  0.705743  0.230178  0.374543  1
  C  C67  1  0.176134  0.677969  0.327447  1
  C  C68  1  0.060269  0.614500  0.279393  1
  C  C69  1  0.780545  0.614640  0.420417  1
  C  C70  1  0.947561  0.892997  0.419141  1
  C  C71  1  0.966606  0.575067  0.338231  1
  C  C72  1  0.000370  0.767001  0.347955  1
  C  C73  1  0.727407  0.071977  0.415358  1
  C  C74  1  0.805259  0.868074  0.259572  1
  C  C75  1  0.214149  0.835022  0.347670  1
  C  C76  1  0.546383  0.983641  0.253463  1
  C  C77  1  0.792147  0.821705  0.237025  1
  C  C78  1  0.912189  0.274213  0.288710  1
  C  C79  1  0.994721  0.824408  0.258456  1
  C  C80  1  0.911608  0.760528  0.240476  1
  C  C81  1  0.888287  0.914621  0.285851  1
  C  C82  1  0.052569  0.948980  0.368737  1
  C  C83  1  0.634967  0.248356  0.418835  1
  C  C84  1  0.121735  0.570932  0.282938  1
  C  C85  1  0.758061  0.402228  0.404338  1
  C  C86  1  0.789687  0.301210  0.372028  1
  C  C87  1  0.062369  0.171078  0.269760  1
  C  C88  1  0.859240  0.560698  0.315640  1
  C  C89  1  0.214414  0.343892  0.285927  1
  C  C90  1  0.452355  0.095256  0.253429  1
  C  C91  1  0.120726  0.792852  0.324780  1
  C  C92  1  0.927638  0.112495  0.379341  1
  C  C93  1  0.192426  0.908653  0.221535  1
  C  C94  1  0.848698  0.766291  0.231246  1
  C  C95  1  0.872638  0.860675  0.270315  1
  C  C96  1  0.880370  0.340492  0.397595  1
  C  C97  1  0.096086  0.548035  0.332581  1
  C  C98  1  0.179053  0.618179  0.343468  1
  C  C99  1  0.285597  0.631821  0.367732  1
  C  C100  1  0.648764  0.176472  0.422001  1
  C  C101  1  0.935096  0.626082  0.293560  1
  C  C102  1  0.969278  0.952709  0.410185  1
  C  C103  1  0.094045  0.248878  0.307582  1
  C  C104  1  0.796496  0.040836  0.406276  1
  C  C105  1  0.138068  0.529511  0.306579  1
  C  C106  1  0.716274  0.158230  0.376886  1
  C  C107  1  0.785087  0.126317  0.367355  1
  C  C108  1  0.036932  0.467331  0.357729  1
  C  C109  1  0.085465  0.978373  0.417280  1
  C  C110  1  0.767835  0.242878  0.363274  1
  C  C111  1  0.934299  0.317012  0.418274  1
  C  C112  1  0.374606  0.379542  0.314233  1
  C  C113  1  0.770310  0.986260  0.277225  1
  C  C114  1  0.069018  0.848142  0.336574  1
  C  C115  1  0.091928  0.904077  0.347527  1
  C  C116  1  0.963453  0.205799  0.395552  1
  C  C117  1  0.232600  0.847049  0.220358  1
  C  C118  1  0.816652  0.178743  0.358667  1
  C  C119  1  0.110275  0.726016  0.323124  1
  C  C120  1  0.202376  0.958419  0.240968  1
  C  C121  1  0.931815  0.809510  0.257574  1
  C  C122  1  0.837302  0.978872  0.289073  1
  C  C123  1  0.953643  0.929685  0.283018  1
  C  C124  1  0.864883  0.499616  0.330596  1
  C  C125  1  0.007641  0.834865  0.348444  1
  C  C126  1  0.974798  0.133785  0.398379  1
  C  C127  1  0.045699  0.222487  0.292031  1
  C  C128  1  0.755260  0.930246  0.263365  1
  C  C129  1  0.317257  0.709300  0.397962  1
  C  C130  1  0.970814  0.246995  0.419624  1
  C  C131  1  0.861527  0.294363  0.377951  1
  C  C132  1  0.955387  0.405857  0.350953  1
  C  C133  1  0.818308  0.489362  0.287238  1
  C  C134  1  0.888062  0.171774  0.364665  1
  C  C135  1  0.158182  0.260272  0.298952  1
  C  C136  1  0.342702  0.452577  0.311021  1
  C  C137  1  0.848121  0.594686  0.265365  1
  C  C138  1  0.971549  0.878164  0.370735  1
  C  C139  1  0.005573  0.668980  0.373315  1
  C  C140  1  0.943329  0.000204  0.282018  1
  C  C141  1  0.600224  0.970542  0.387424  1
  C  C142  1  0.645561  0.429441  0.331739  1
  C  C143  1  0.865460  0.331040  0.294859  1
  C  C144  1  0.269049  0.811716  0.368031  1
  C  C145  1  0.734415  0.047823  0.261744  1
  C  C146  1  0.808313  0.641976  0.396264  1
  C  C147  1  0.663777  0.897603  0.352951  1
  C  C148  1  0.618044  0.597050  0.352436  1
  C  C149  1  0.726814  0.715758  0.331495  1
  C  C150  1  0.187513  0.131124  0.400832  1
  C  C151  1  0.706131  0.567954  0.387830  1
  C  C152  1  0.675348  0.318185  0.309022  1
  C  C153  1  0.470735  0.514871  0.354184  1
  C  C154  1  0.634779  0.574464  0.381929  1
  C  C155  1  0.420301  0.476510  0.350332  1
  C  C156  1  0.781582  0.692692  0.351671  1
  C  C157  1  0.711358  0.411892  0.287902  1
  C  C158  1  0.451161  0.779423  0.397644  1
  C  C159  1  0.734186  0.595506  0.363496  1
  C  C160  1  0.477067  0.255577  0.301636  1
  C  C161  1  0.763979  0.107393  0.264145  1
  C  C162  1  0.443577  0.850776  0.395109  1
  C  C163  1  0.933603  0.358282  0.333060  1
  C  C164  1  0.556265  0.291920  0.330185  1
  C  C165  1  0.675076  0.457270  0.307161  1
  C  C166  1  0.548064  0.647796  0.347807  1
  C  C167  1  0.371273  0.031746  0.285034  1
  C  C168  1  0.521319  0.638272  0.400735  1
  C  C169  1  0.639536  0.361367  0.331081  1
  C  C170  1  0.271931  0.851517  0.393103  1
  C  C171  1  0.396140  0.627372  0.268628  1
  C  C172  1  0.300715  0.740677  0.370387  1
  C  C173  1  0.410201  0.596817  0.318644  1
  C  C174  1  0.396872  0.060675  0.388384  1
  C  C175  1  0.693469  0.027701  0.242385  1
  C  C176  1  0.229974  0.577009  0.416174  1
  C  C177  1  0.578469  0.346268  0.342906  1
  C  C178  1  0.330111  0.552978  0.286573  1
  C  C179  1  0.472352  0.739608  0.372322  1
  C  C180  1  0.729193  0.291873  0.266405  1
  C  C181  1  0.885323  0.122212  0.255768  1
  C  C182  1  0.702815  0.238015  0.273041  1
  C  C183  1  0.329464  0.395338  0.410321  1
  C  C184  1  0.056611  0.917992  0.254593  1
  C  C185  1  0.723606  0.916056  0.397456  1
  C  C186  1  0.527395  0.400180  0.355804  1
  C  C187  1  0.507357  0.621492  0.299019  1
  C  C188  1  0.596247  0.482509  0.345314  1
  C  C189  1  0.484615  0.297768  0.326154  1
  C  C190  1  0.549785  0.712288  0.334797  1
  C  C191  1  0.838776  0.092414  0.269352  1
  C  C192  1  0.509883  0.883545  0.266400  1
  C  C193  1  0.526123  0.597583  0.328698  1
  C  C194  1  0.491844  0.936229  0.380641  1
  C  C195  1  0.668825  0.939178  0.377292  1
  C  C196  1  0.176651  0.341092  0.397217  1
  C  C197  1  0.723929  0.171504  0.263931  1
  C  C198  1  0.417197  0.020244  0.414295  1
  C  C199  1  0.692545  0.786561  0.330200  1
  C  C200  1  0.163867  0.275595  0.394765  1
  C  C201  1  0.325513  0.068192  0.382152  1
  C  C202  1  0.987237  0.031313  0.263858  1
  C  C203  1  0.587107  0.590125  0.405083  1
  C  C204  1  0.409467  0.229374  0.374906  1
  C  C205  1  0.238759  0.353757  0.385947  1
  C  C206  1  0.205743  0.230178  0.374543  1
  C  C207  1  0.676134  0.677969  0.327447  1
  C  C208  1  0.560269  0.614500  0.279393  1
  C  C209  1  0.280545  0.614640  0.420417  1
  C  C210  1  0.447561  0.892997  0.419141  1
  C  C211  1  0.466606  0.575067  0.338231  1
  C  C212  1  0.500370  0.767001  0.347955  1
  C  C213  1  0.227407  0.071977  0.415358  1
  C  C214  1  0.305259  0.868074  0.259572  1
  C  C215  1  0.714149  0.835022  0.347670  1
  C  C216  1  0.046383  0.983641  0.253463  1
  C  C217  1  0.292147  0.821705  0.237025  1
  C  C218  1  0.412189  0.274213  0.288710  1
  C  C219  1  0.494721  0.824408  0.258456  1
  C  C220  1  0.411608  0.760528  0.240476  1
  C  C221  1  0.388287  0.914621  0.285851  1
  C  C222  1  0.552569  0.948980  0.368737  1
  C  C223  1  0.134967  0.248356  0.418835  1
  C  C224  1  0.621735  0.570932  0.282938  1
  C  C225  1  0.258061  0.402228  0.404338  1
  C  C226  1  0.289687  0.301210  0.372028  1
  C  C227  1  0.562369  0.171078  0.269760  1
  C  C228  1  0.359240  0.560698  0.315640  1
  C  C229  1  0.714414  0.343892  0.285927  1
  C  C230  1  0.952355  0.095256  0.253429  1
  C  C231  1  0.620726  0.792852  0.324780  1
  C  C232  1  0.427638  0.112495  0.379341  1
  C  C233  1  0.692426  0.908653  0.221535  1
  C  C234  1  0.348698  0.766291  0.231246  1
  C  C235  1  0.372638  0.860675  0.270315  1
  C  C236  1  0.380370  0.340492  0.397595  1
  C  C237  1  0.596086  0.548035  0.332581  1
  C  C238  1  0.679053  0.618179  0.343468  1
  C  C239  1  0.785597  0.631821  0.367732  1
  C  C240  1  0.148764  0.176472  0.422001  1
  C  C241  1  0.435096  0.626082  0.293560  1
  C  C242  1  0.469278  0.952708  0.410185  1
  C  C243  1  0.594045  0.248878  0.307582  1
  C  C244  1  0.296496  0.040836  0.406276  1
  C  C245  1  0.638068  0.529511  0.306579  1
  C  C246  1  0.216274  0.158230  0.376886  1
  C  C247  1  0.285087  0.126317  0.367355  1
  C  C248  1  0.536932  0.467331  0.357729  1
  C  C249  1  0.585465  0.978373  0.417280  1
  C  C250  1  0.267835  0.242878  0.363274  1
  C  C251  1  0.434299  0.317012  0.418274  1
  C  C252  1  0.874606  0.379542  0.314233  1
  C  C253  1  0.270310  0.986260  0.277225  1
  C  C254  1  0.569018  0.848142  0.336574  1
  C  C255  1  0.591928  0.904077  0.347527  1
  C  C256  1  0.463453  0.205799  0.395552  1
  C  C257  1  0.732600  0.847049  0.220358  1
  C  C258  1  0.316653  0.178743  0.358667  1
  C  C259  1  0.610275  0.726016  0.323124  1
  C  C260  1  0.702376  0.958419  0.240968  1
  C  C261  1  0.431815  0.809510  0.257574  1
  C  C262  1  0.337302  0.978872  0.289073  1
  C  C263  1  0.453643  0.929685  0.283018  1
  C  C264  1  0.364884  0.499616  0.330596  1
  C  C265  1  0.507641  0.834865  0.348444  1
  C  C266  1  0.474798  0.133785  0.398379  1
  C  C267  1  0.545699  0.222487  0.292031  1
  C  C268  1  0.255259  0.930246  0.263365  1
  C  C269  1  0.817257  0.709300  0.397962  1
  C  C270  1  0.470814  0.246995  0.419624  1
  C  C271  1  0.361527  0.294363  0.377951  1
  C  C272  1  0.455387  0.405857  0.350953  1
  C  C273  1  0.318308  0.489362  0.287238  1
  C  C274  1  0.388062  0.171774  0.364665  1
  C  C275  1  0.658182  0.260272  0.298952  1
  C  C276  1  0.842702  0.452577  0.311021  1
  C  C277  1  0.348121  0.594686  0.265365  1
  C  C278  1  0.471549  0.878164  0.370735  1
  C  C279  1  0.505573  0.668980  0.373315  1
  C  C280  1  0.443329  0.000204  0.282018  1
  C  C281  1  0.891395  0.769820  0.551567  1
  C  C282  1  0.934878  0.228040  0.496682  1
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