# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.40041376
_cell_length_b   19.46424453
_cell_length_c   20.15017746
_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   9177.82904435
_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  0.386094  0.594548  0.431312  1
  C  C2  1  0.886129  0.594525  0.431311  1
  C  C3  1  0.034109  0.563117  0.817992  1
  C  C4  1  0.534096  0.563165  0.817993  1
  C  C5  1  0.382589  0.725662  0.679272  1
  C  C6  1  0.879890  0.737015  0.679268  1
  C  C7  1  0.588614  0.239913  0.248503  1
  C  C8  1  0.111453  0.594525  0.431311  1
  C  C9  1  0.611418  0.594635  0.431317  1
  C  C10  1  0.463644  0.812870  0.108973  1
  C  C11  1  0.963732  0.812819  0.108974  1
  C  C12  1  0.329656  0.616952  0.317874  1
  C  C13  1  0.829698  0.616948  0.317873  1
  C  C14  1  0.998791  0.563213  0.012269  1
  C  C15  1  0.498764  0.563273  0.012265  1
  C  C16  1  0.350375  0.652365  0.108927  1
  C  C17  1  0.850423  0.652355  0.108927  1
  C  C18  1  0.033850  0.190255  0.608974  1
  C  C19  1  0.533850  0.190303  0.608974  1
  C  C20  1  0.034136  0.696041  0.023796  1
  C  C21  1  0.534076  0.696118  0.023795  1
  C  C22  1  0.034109  0.563117  0.679013  1
  C  C23  1  0.534096  0.563165  0.679012  1
  C  C24  1  0.111453  0.408549  0.931311  1
  C  C25  1  0.611444  0.408601  0.931312  1
  C  C26  1  0.054719  0.615574  0.023420  1
  C  C27  1  0.554678  0.615657  0.023413  1
  C  C28  1  0.147159  0.350719  0.888078  1
  C  C29  1  0.647151  0.350773  0.888079  1
  C  C30  1  0.371560  0.732641  0.108962  1
  C  C31  1  0.871627  0.732623  0.108962  1
  C  C32  1  0.427504  0.553740  0.748503  1
  C  C33  1  0.927517  0.553700  0.748503  1
  C  C34  1  0.070065  0.449373  0.248503  1
  C  C35  1  0.570050  0.449477  0.248503  1
  C  C36  1  0.463386  0.696090  0.023797  1
  C  C37  1  0.963446  0.696041  0.023796  1
  C  C38  1  0.147159  0.350719  0.608927  1
  C  C39  1  0.647151  0.350773  0.608926  1
  C  C40  1  0.054719  0.615574  0.473586  1
  C  C41  1  0.554678  0.615657  0.473592  1
  C  C42  1  0.034109  0.439957  0.317992  1
  C  C43  1  0.534106  0.440035  0.317997  1
  C  C44  1  0.426434  0.841266  0.748503  1
  C  C45  1  0.922169  0.853453  0.748503  1
  C  C46  1  0.146220  0.466546  0.679041  1
  C  C47  1  0.646208  0.466598  0.679041  1
  C  C48  1  0.463459  0.563161  0.817992  1
  C  C49  1  0.963473  0.563117  0.817992  1
  C  C50  1  0.998791  0.486779  0.058031  1
  C  C51  1  0.498778  0.486839  0.058028  1
  C  C52  1  0.319131  0.251676  0.431908  1
  C  C53  1  0.808846  0.261948  0.431284  1
  C  C54  1  0.111353  0.522452  0.109232  1
  C  C55  1  0.611329  0.522563  0.109227  1
  C  C56  1  0.070065  0.553700  0.748503  1
  C  C57  1  0.570051  0.553749  0.748503  1
  C  C58  1  0.117934  0.280812  0.329335  1
  C  C59  1  0.611614  0.274874  0.317744  1
  C  C60  1  0.428472  0.248254  0.931282  1
  C  C61  1  0.928473  0.248210  0.931282  1
  C  C62  1  0.117934  0.280815  0.167667  1
  C  C63  1  0.611614  0.274874  0.179261  1
  C  C64  1  0.034136  0.307032  0.973209  1
  C  C65  1  0.534132  0.307083  0.973209  1
  C  C66  1  0.442857  0.387546  0.523419  1
  C  C67  1  0.942863  0.387500  0.523420  1
  C  C68  1  0.111353  0.522452  0.387773  1
  C  C69  1  0.611329  0.522563  0.387778  1
  C  C70  1  0.319131  0.251676  0.065096  1
  C  C71  1  0.808846  0.261948  0.065721  1
  C  C72  1  0.127387  0.504485  0.748503  1
  C  C73  1  0.627374  0.504536  0.748503  1
  C  C74  1  0.033850  0.190255  0.888031  1
  C  C75  1  0.533850  0.190303  0.888032  1
  C  C76  1  0.034109  0.439957  0.179013  1
  C  C77  1  0.534106  0.440035  0.179008  1
  C  C78  1  0.443009  0.529186  0.608554  1
  C  C79  1  0.943023  0.529142  0.608554  1
  C  C80  1  0.463386  0.696090  0.473209  1
  C  C81  1  0.963446  0.696041  0.473209  1
  C  C82  1  0.998791  0.516294  0.558031  1
  C  C83  1  0.498777  0.516346  0.558029  1
  C  C84  1  0.350418  0.350756  0.888079  1
  C  C85  1  0.850423  0.350719  0.888078  1
  C  C86  1  0.463461  0.842524  0.248503  1
  C  C87  1  0.963554  0.842472  0.248503  1
  C  C88  1  0.371560  0.732641  0.388043  1
  C  C89  1  0.871627  0.732623  0.388043  1
  C  C90  1  0.146220  0.466546  0.817964  1
  C  C91  1  0.646208  0.466598  0.817965  1
  C  C92  1  0.442857  0.387546  0.973586  1
  C  C93  1  0.942863  0.387500  0.973586  1
  C  C94  1  0.054559  0.529142  0.888451  1
  C  C95  1  0.554546  0.529194  0.888454  1
  C  C96  1  0.167884  0.386126  0.679132  1
  C  C97  1  0.667875  0.386179  0.679132  1
  C  C98  1  0.443013  0.473973  0.108552  1
  C  C99  1  0.943023  0.473931  0.108554  1
  C  C100  1  0.034136  0.696041  0.473209  1
  C  C101  1  0.534076  0.696118  0.473210  1
  C  C102  1  0.279831  0.336082  0.248502  1
  C  C103  1  0.771316  0.348059  0.248503  1
  C  C104  1  0.998791  0.439860  0.984737  1
  C  C105  1  0.498782  0.439912  0.984739  1
  C  C106  1  0.443013  0.473973  0.388453  1
  C  C107  1  0.943023  0.473931  0.388451  1
  C  C108  1  0.350375  0.652365  0.388079  1
  C  C109  1  0.850423  0.652355  0.388078  1
  C  C110  1  0.429318  0.177666  0.817757  1
  C  C111  1  0.929317  0.177625  0.817757  1
  C  C112  1  0.998791  0.563213  0.484737  1
  C  C113  1  0.498764  0.563273  0.484740  1
  C  C114  1  0.998791  0.439861  0.512269  1
  C  C115  1  0.498782  0.439912  0.512267  1
  C  C116  1  0.329656  0.616952  0.179132  1
  C  C117  1  0.829698  0.616948  0.179132  1
  C  C118  1  0.463555  0.160645  0.748503  1
  C  C119  1  0.963554  0.160602  0.748503  1
  C  C120  1  0.463442  0.307079  0.523798  1
  C  C121  1  0.963446  0.307032  0.523796  1
  C  C122  1  0.463644  0.812870  0.388032  1
  C  C123  1  0.963732  0.812819  0.388031  1
  C  C124  1  0.111453  0.594525  0.065694  1
  C  C125  1  0.611418  0.594635  0.065688  1
  C  C126  1  0.329690  0.386160  0.679132  1
  C  C127  1  0.829698  0.386126  0.679132  1
  C  C128  1  0.372362  0.227272  0.817739  1
  C  C129  1  0.872364  0.227234  0.817738  1
  C  C130  1  0.429318  0.177666  0.679248  1
  C  C131  1  0.929317  0.177625  0.679248  1
  C  C132  1  0.386094  0.594548  0.065693  1
  C  C133  1  0.886129  0.594525  0.065694  1
  C  C134  1  0.386121  0.408588  0.931312  1
  C  C135  1  0.886129  0.408549  0.931311  1
  C  C136  1  0.282486  0.308770  0.108478  1
  C  C137  1  0.771968  0.318428  0.108972  1
  C  C138  1  0.054559  0.473931  0.388451  1
  C  C139  1  0.554550  0.474016  0.388455  1
  C  C140  1  0.054719  0.387500  0.973586  1
  C  C141  1  0.554711  0.387552  0.973589  1
  C  C142  1  0.463469  0.440007  0.179012  1
  C  C143  1  0.963473  0.439957  0.179013  1
  C  C144  1  0.069109  0.248210  0.565723  1
  C  C145  1  0.569106  0.248261  0.565723  1
  C  C146  1  0.421775  0.160406  0.248502  1
  C  C147  1  0.913107  0.172500  0.248503  1
  C  C148  1  0.326742  0.661216  0.248503  1
  C  C149  1  0.826793  0.661213  0.248503  1
  C  C150  1  0.429228  0.825488  0.317757  1
  C  C151  1  0.929317  0.825448  0.317757  1
  C  C152  1  0.419697  0.116090  0.179100  1
  C  C153  1  0.911457  0.128142  0.179132  1
  C  C154  1  0.125955  0.270450  0.608962  1
  C  C155  1  0.625951  0.270503  0.608962  1
  C  C156  1  0.315767  0.321160  0.179502  1
  C  C157  1  0.806011  0.332455  0.179244  1
  C  C158  1  0.375925  0.230759  0.108817  1
  C  C159  1  0.866288  0.242041  0.108958  1
  C  C160  1  0.373768  0.273745  0.317642  1
  C  C161  1  0.864333  0.285200  0.317741  1
  C  C162  1  0.386207  0.522476  0.387774  1
  C  C163  1  0.886228  0.522452  0.387773  1
  C  C164  1  0.034028  0.160602  0.748503  1
  C  C165  1  0.534028  0.160649  0.748503  1
  C  C166  1  0.386217  0.480660  0.887774  1
  C  C167  1  0.886228  0.480621  0.887773  1
  C  C168  1  0.371624  0.270488  0.888043  1
  C  C169  1  0.871627  0.270450  0.888043  1
  C  C170  1  0.348376  0.261273  0.748503  1
  C  C171  1  0.848379  0.261237  0.748503  1
  C  C172  1  0.054719  0.387500  0.523420  1
  C  C173  1  0.554711  0.387552  0.523416  1
  C  C174  1  0.069109  0.248210  0.931282  1
  C  C175  1  0.569106  0.248261  0.931282  1
  C  C176  1  0.463459  0.563161  0.679013  1
  C  C177  1  0.963473  0.563117  0.679013  1
  C  C178  1  0.428400  0.754901  0.431282  1
  C  C179  1  0.928473  0.754863  0.431282  1
  C  C180  1  0.351338  0.536539  0.179040  1
  C  C181  1  0.851362  0.536528  0.179041  1
  C  C182  1  0.386121  0.408588  0.565693  1
  C  C183  1  0.886129  0.408549  0.565694  1
  C  C184  1  0.127387  0.498589  0.248503  1
  C  C185  1  0.627343  0.498743  0.248503  1
  C  C186  1  0.398419  0.151002  0.108896  1
  C  C187  1  0.889746  0.162684  0.108926  1
  C  C188  1  0.398632  0.240344  0.248502  1
  C  C189  1  0.889261  0.252197  0.248503  1
  C  C190  1  0.329690  0.386160  0.817873  1
  C  C191  1  0.829698  0.386126  0.817873  1
  C  C192  1  0.998791  0.516294  0.938974  1
  C  C193  1  0.498777  0.516346  0.938976  1
  C  C194  1  0.442824  0.615614  0.023419  1
  C  C195  1  0.942863  0.615574  0.023420  1
  C  C196  1  0.428400  0.754901  0.065723  1
  C  C197  1  0.928473  0.754863  0.065723  1
  C  C198  1  0.068265  0.177625  0.679248  1
  C  C199  1  0.568265  0.177674  0.679248  1
  C  C200  1  0.463442  0.307079  0.973208  1
  C  C201  1  0.963446  0.307032  0.973209  1
  C  C202  1  0.998791  0.486779  0.438975  1
  C  C203  1  0.498778  0.486839  0.438978  1
  C  C204  1  0.111353  0.480621  0.609232  1
  C  C205  1  0.611341  0.480673  0.609232  1
  C  C206  1  0.034136  0.307032  0.523796  1
  C  C207  1  0.534132  0.307083  0.523796  1
  C  C208  1  0.443009  0.529186  0.888451  1
  C  C209  1  0.943023  0.529142  0.888451  1
  C  C210  1  0.463732  0.190299  0.608974  1
  C  C211  1  0.963732  0.190255  0.608974  1
  C  C212  1  0.428472  0.248254  0.565723  1
  C  C213  1  0.928473  0.248210  0.565723  1
  C  C214  1  0.111353  0.480621  0.887773  1
  C  C215  1  0.611341  0.480673  0.887774  1
  C  C216  1  0.442824  0.615614  0.473586  1
  C  C217  1  0.942863  0.615574  0.473586  1
  C  C218  1  0.372362  0.227272  0.679266  1
  C  C219  1  0.872364  0.227234  0.679267  1
  C  C220  1  0.351352  0.466580  0.817965  1
  C  C221  1  0.851362  0.466546  0.817964  1
  C  C222  1  0.406061  0.760188  0.748503  1
  C  C223  1  0.902892  0.771988  0.748503  1
  C  C224  1  0.398418  0.151002  0.388109  1
  C  C225  1  0.889746  0.162684  0.388079  1
  C  C226  1  0.370179  0.498607  0.248503  1
  C  C227  1  0.870195  0.498589  0.248503  1
  C  C228  1  0.351338  0.536539  0.317965  1
  C  C229  1  0.851362  0.536528  0.317964  1
  C  C230  1  0.351352  0.466580  0.679041  1
  C  C231  1  0.851362  0.466546  0.679041  1
  C  C232  1  0.146220  0.536528  0.179041  1
  C  C233  1  0.646189  0.536663  0.179037  1
  C  C234  1  0.371624  0.270488  0.608962  1
  C  C235  1  0.871627  0.270450  0.608962  1
  C  C236  1  0.386207  0.522476  0.109231  1
  C  C237  1  0.886228  0.522452  0.109232  1
  C  C238  1  0.146220  0.536528  0.317964  1
  C  C239  1  0.646189  0.536663  0.317969  1
  C  C240  1  0.373768  0.273745  0.179362  1
  C  C241  1  0.864333  0.285200  0.179264  1
  C  C242  1  0.375924  0.230759  0.388187  1
  C  C243  1  0.866288  0.242041  0.388047  1
  C  C244  1  0.315766  0.321160  0.317501  1
  C  C245  1  0.806011  0.332455  0.317761  1
  C  C246  1  0.125955  0.270450  0.888043  1
  C  C247  1  0.625951  0.270503  0.888043  1
  C  C248  1  0.427513  0.449411  0.248503  1
  C  C249  1  0.927517  0.449373  0.248503  1
  C  C250  1  0.386217  0.480660  0.609232  1
  C  C251  1  0.886228  0.480621  0.609232  1
  C  C252  1  0.111453  0.408549  0.565694  1
  C  C253  1  0.611444  0.408601  0.565693  1
  C  C254  1  0.419696  0.116090  0.317905  1
  C  C255  1  0.911457  0.128142  0.317873  1
  C  C256  1  0.429228  0.825488  0.179249  1
  C  C257  1  0.929317  0.825448  0.179248  1
  C  C258  1  0.370186  0.504518  0.748503  1
  C  C259  1  0.870195  0.504485  0.748503  1
  C  C260  1  0.326788  0.341895  0.748503  1
  C  C261  1  0.826793  0.341860  0.748503  1
  C  C262  1  0.167884  0.386126  0.817873  1
  C  C263  1  0.667875  0.386179  0.817873  1
  C  C264  1  0.068265  0.177625  0.817757  1
  C  C265  1  0.568265  0.177674  0.817757  1
  C  C266  1  0.350418  0.350756  0.608926  1
  C  C267  1  0.850423  0.350719  0.608927  1
  C  C268  1  0.054559  0.529142  0.608554  1
  C  C269  1  0.554546  0.529194  0.608552  1
  C  C270  1  0.382589  0.725662  0.817734  1
  C  C271  1  0.879890  0.737015  0.817737  1
  C  C272  1  0.463732  0.190299  0.888031  1
  C  C273  1  0.963732  0.190255  0.888031  1
  C  C274  1  0.463469  0.440007  0.317994  1
  C  C275  1  0.963473  0.439957  0.317992  1
  C  C276  1  0.054559  0.473931  0.108554  1
  C  C277  1  0.554550  0.474016  0.108550  1
  C  C278  1  0.282486  0.308770  0.388526  1
  C  C279  1  0.771968  0.318428  0.388033  1
  C  C280  1  0.138663  0.089337  0.428477  1
  C  C281  1  0.630493  0.094222  0.431314  1
  C  C282  1  0.286428  0.059446  0.818023  1
  C  C283  1  0.779253  0.068937  0.817990  1
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