# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   45.08293077
_cell_length_b   33.62611448
_cell_length_c   46.43873495
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   53.47442274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C2016
_cell_volume   56572.3743543
_cell_formula_units_Z   2016
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  0.274919  0.747242  0.308131  1
  C  C2  1  0.274919  0.247242  0.308131  1
  C  C3  1  0.774919  0.747242  0.308131  1
  C  C4  1  0.774919  0.247242  0.308131  1
  C  C5  1  0.108252  0.747242  0.308131  1
  C  C6  1  0.108252  0.247242  0.308131  1
  C  C7  1  0.608252  0.747242  0.308131  1
  C  C8  1  0.608252  0.247242  0.308131  1
  C  C9  1  0.182076  0.687428  0.329188  1
  C  C10  1  0.182076  0.187428  0.329188  1
  C  C11  1  0.682076  0.687428  0.329188  1
  C  C12  1  0.682076  0.187428  0.329188  1
  C  C13  1  0.282913  0.554158  0.288093  1
  C  C14  1  0.282913  0.054158  0.288093  1
  C  C15  1  0.782913  0.554158  0.288093  1
  C  C16  1  0.782913  0.054158  0.288093  1
  C  C17  1  0.941586  0.747242  0.308131  1
  C  C18  1  0.941586  0.247242  0.308131  1
  C  C19  1  0.441586  0.747242  0.308131  1
  C  C20  1  0.441586  0.247242  0.308131  1
  C  C21  1  0.015410  0.687428  0.329188  1
  C  C22  1  0.015410  0.187428  0.329188  1
  C  C23  1  0.515410  0.687428  0.329188  1
  C  C24  1  0.515410  0.187428  0.329188  1
  C  C25  1  0.116247  0.554158  0.288093  1
  C  C26  1  0.116247  0.054158  0.288093  1
  C  C27  1  0.616247  0.554158  0.288093  1
  C  C28  1  0.616247  0.054158  0.288093  1
  C  C29  1  0.191586  0.497242  0.308131  1
  C  C30  1  0.191586  0.997242  0.308131  1
  C  C31  1  0.691586  0.497242  0.308131  1
  C  C32  1  0.691586  0.997242  0.308131  1
  C  C33  1  0.265410  0.437428  0.329188  1
  C  C34  1  0.265410  0.937428  0.329188  1
  C  C35  1  0.765410  0.437428  0.329188  1
  C  C36  1  0.765410  0.937428  0.329188  1
  C  C37  1  0.848743  0.687428  0.329188  1
  C  C38  1  0.848743  0.187428  0.329188  1
  C  C39  1  0.348743  0.687428  0.329188  1
  C  C40  1  0.348743  0.187428  0.329188  1
  C  C41  1  0.949580  0.554158  0.288093  1
  C  C42  1  0.949580  0.054158  0.288093  1
  C  C43  1  0.449580  0.554158  0.288093  1
  C  C44  1  0.449580  0.054158  0.288093  1
  C  C45  1  0.024919  0.497242  0.308131  1
  C  C46  1  0.024919  0.997242  0.308131  1
  C  C47  1  0.524919  0.497242  0.308131  1
  C  C48  1  0.524919  0.997242  0.308131  1
  C  C49  1  0.098743  0.437428  0.329188  1
  C  C50  1  0.098743  0.937428  0.329188  1
  C  C51  1  0.598743  0.437428  0.329188  1
  C  C52  1  0.598743  0.937428  0.329188  1
  C  C53  1  0.199580  0.804158  0.288093  1
  C  C54  1  0.199580  0.304158  0.288093  1
  C  C55  1  0.699580  0.804158  0.288093  1
  C  C56  1  0.699580  0.304158  0.288093  1
  C  C57  1  0.858252  0.497242  0.308131  1
  C  C58  1  0.858252  0.997242  0.308131  1
  C  C59  1  0.358252  0.497242  0.308131  1
  C  C60  1  0.358252  0.997242  0.308131  1
  C  C61  1  0.932076  0.437428  0.329188  1
  C  C62  1  0.932076  0.937428  0.329188  1
  C  C63  1  0.432076  0.437428  0.329188  1
  C  C64  1  0.432076  0.937428  0.329188  1
  C  C65  1  0.032913  0.804158  0.288093  1
  C  C66  1  0.032913  0.304158  0.288093  1
  C  C67  1  0.532913  0.804158  0.288093  1
  C  C68  1  0.532913  0.304158  0.288093  1
  C  C69  1  0.866247  0.804158  0.288093  1
  C  C70  1  0.866247  0.304158  0.288093  1
  C  C71  1  0.366247  0.804158  0.288093  1
  C  C72  1  0.366247  0.304158  0.288093  1
  C  C73  1  0.262112  0.667677  0.336142  1
  C  C74  1  0.262112  0.167677  0.336142  1
  C  C75  1  0.762112  0.667677  0.336142  1
  C  C76  1  0.762112  0.167677  0.336142  1
  C  C77  1  0.095446  0.667677  0.336142  1
  C  C78  1  0.095446  0.167677  0.336142  1
  C  C79  1  0.595446  0.667677  0.336142  1
  C  C80  1  0.595446  0.167677  0.336142  1
  C  C81  1  0.199573  0.533045  0.295526  1
  C  C82  1  0.199573  0.033045  0.295526  1
  C  C83  1  0.699573  0.533045  0.295526  1
  C  C84  1  0.699573  0.033045  0.295526  1
  C  C85  1  0.271790  0.476440  0.315454  1
  C  C86  1  0.271790  0.976440  0.315454  1
  C  C87  1  0.771790  0.476440  0.315454  1
  C  C88  1  0.771790  0.976440  0.315454  1
  C  C89  1  0.928779  0.667677  0.336142  1
  C  C90  1  0.928779  0.167677  0.336142  1
  C  C91  1  0.428779  0.667677  0.336142  1
  C  C92  1  0.428779  0.167677  0.336142  1
  C  C93  1  0.032906  0.533045  0.295526  1
  C  C94  1  0.032906  0.033045  0.295526  1
  C  C95  1  0.532906  0.533045  0.295526  1
  C  C96  1  0.532906  0.033045  0.295526  1
  C  C97  1  0.105123  0.476440  0.315454  1
  C  C98  1  0.105123  0.976440  0.315454  1
  C  C99  1  0.605123  0.476440  0.315454  1
  C  C100  1  0.605123  0.976440  0.315454  1
  C  C101  1  0.178779  0.417677  0.336142  1
  C  C102  1  0.178779  0.917677  0.336142  1
  C  C103  1  0.678779  0.417677  0.336142  1
  C  C104  1  0.678779  0.917677  0.336142  1
  C  C105  1  0.282906  0.783045  0.295526  1
  C  C106  1  0.282906  0.283045  0.295526  1
  C  C107  1  0.782906  0.783045  0.295526  1
  C  C108  1  0.782906  0.283045  0.295526  1
  C  C109  1  0.866239  0.533045  0.295526  1
  C  C110  1  0.866239  0.033045  0.295526  1
  C  C111  1  0.366239  0.533045  0.295526  1
  C  C112  1  0.366239  0.033045  0.295526  1
  C  C113  1  0.938456  0.476440  0.315454  1
  C  C114  1  0.938456  0.976440  0.315454  1
  C  C115  1  0.438456  0.476440  0.315454  1
  C  C116  1  0.438456  0.976440  0.315454  1
  C  C117  1  0.012112  0.417677  0.336142  1
  C  C118  1  0.012112  0.917677  0.336142  1
  C  C119  1  0.512112  0.417677  0.336142  1
  C  C120  1  0.512112  0.917677  0.336142  1
  C  C121  1  0.116239  0.783045  0.295526  1
  C  C122  1  0.116239  0.283045  0.295526  1
  C  C123  1  0.616239  0.783045  0.295526  1
  C  C124  1  0.616239  0.283045  0.295526  1
  C  C125  1  0.188456  0.726440  0.315454  1
  C  C126  1  0.188456  0.226440  0.315454  1
  C  C127  1  0.688456  0.726440  0.315454  1
  C  C128  1  0.688456  0.226440  0.315454  1
  C  C129  1  0.845446  0.417677  0.336142  1
  C  C130  1  0.845446  0.917677  0.336142  1
  C  C131  1  0.345446  0.417677  0.336142  1
  C  C132  1  0.345446  0.917677  0.336142  1
  C  C133  1  0.949573  0.783045  0.295526  1
  C  C134  1  0.949573  0.283045  0.295526  1
  C  C135  1  0.449573  0.783045  0.295526  1
  C  C136  1  0.449573  0.283045  0.295526  1
  C  C137  1  0.021790  0.726440  0.315454  1
  C  C138  1  0.021790  0.226440  0.315454  1
  C  C139  1  0.521790  0.726440  0.315454  1
  C  C140  1  0.521790  0.226440  0.315454  1
  C  C141  1  0.855123  0.726440  0.315454  1
  C  C142  1  0.855123  0.226440  0.315454  1
  C  C143  1  0.355123  0.726440  0.315454  1
  C  C144  1  0.355123  0.226440  0.315454  1
  C  C145  1  0.302370  0.657810  0.339615  1
  C  C146  1  0.302370  0.157810  0.339615  1
  C  C147  1  0.802370  0.657810  0.339615  1
  C  C148  1  0.802370  0.157810  0.339615  1
  C  C149  1  0.135704  0.657810  0.339615  1
  C  C150  1  0.135704  0.157810  0.339615  1
  C  C151  1  0.635704  0.657810  0.339615  1
  C  C152  1  0.635704  0.157810  0.339615  1
  C  C153  1  0.236932  0.527304  0.297547  1
  C  C154  1  0.236932  0.027304  0.297547  1
  C  C155  1  0.736932  0.527304  0.297547  1
  C  C156  1  0.736932  0.027304  0.297547  1
  C  C157  1  0.311427  0.466919  0.318806  1
  C  C158  1  0.311427  0.966919  0.318806  1
  C  C159  1  0.811427  0.466919  0.318806  1
  C  C160  1  0.811427  0.966919  0.318806  1
  C  C161  1  0.969037  0.657810  0.339615  1
  C  C162  1  0.969037  0.157810  0.339615  1
  C  C163  1  0.469037  0.657810  0.339615  1
  C  C164  1  0.469037  0.157810  0.339615  1
  C  C165  1  0.070266  0.527304  0.297547  1
  C  C166  1  0.070266  0.027304  0.297547  1
  C  C167  1  0.570266  0.527304  0.297547  1
  C  C168  1  0.570266  0.027304  0.297547  1
  C  C169  1  0.144761  0.466919  0.318806  1
  C  C170  1  0.144761  0.966919  0.318806  1
  C  C171  1  0.644761  0.466919  0.318806  1
  C  C172  1  0.644761  0.966919  0.318806  1
  C  C173  1  0.219037  0.407810  0.339615  1
  C  C174  1  0.219037  0.907810  0.339615  1
  C  C175  1  0.719037  0.407810  0.339615  1
  C  C176  1  0.719037  0.907810  0.339615  1
  C  C177  1  0.320266  0.777304  0.297547  1
  C  C178  1  0.320266  0.277304  0.297547  1
  C  C179  1  0.820266  0.777304  0.297547  1
  C  C180  1  0.820266  0.277304  0.297547  1
  C  C181  1  0.903599  0.527304  0.297547  1
  C  C182  1  0.903599  0.027304  0.297547  1
  C  C183  1  0.403599  0.527304  0.297547  1
  C  C184  1  0.403599  0.027304  0.297547  1
  C  C185  1  0.978094  0.466919  0.318806  1
  C  C186  1  0.978094  0.966919  0.318806  1
  C  C187  1  0.478094  0.466919  0.318806  1
  C  C188  1  0.478094  0.966919  0.318806  1
  C  C189  1  0.052370  0.407810  0.339615  1
  C  C190  1  0.052370  0.907810  0.339615  1
  C  C191  1  0.552370  0.407810  0.339615  1
  C  C192  1  0.552370  0.907810  0.339615  1
  C  C193  1  0.153599  0.777304  0.297547  1
  C  C194  1  0.153599  0.277304  0.297547  1
  C  C195  1  0.653599  0.777304  0.297547  1
  C  C196  1  0.653599  0.277304  0.297547  1
  C  C197  1  0.228094  0.716919  0.318806  1
  C  C198  1  0.228094  0.216919  0.318806  1
  C  C199  1  0.728094  0.716919  0.318806  1
  C  C200  1  0.728094  0.216919  0.318806  1
  C  C201  1  0.885704  0.407810  0.339615  1
  C  C202  1  0.885704  0.907810  0.339615  1
  C  C203  1  0.385704  0.407810  0.339615  1
  C  C204  1  0.385704  0.907810  0.339615  1
  C  C205  1  0.986932  0.777304  0.297547  1
  C  C206  1  0.986932  0.277304  0.297547  1
  C  C207  1  0.486932  0.777304  0.297547  1
  C  C208  1  0.486932  0.277304  0.297547  1
  C  C209  1  0.061427  0.716919  0.318806  1
  C  C210  1  0.061427  0.216919  0.318806  1
  C  C211  1  0.561427  0.716919  0.318806  1
  C  C212  1  0.561427  0.216919  0.318806  1
  C  C213  1  0.894761  0.716919  0.318806  1
  C  C214  1  0.894761  0.216919  0.318806  1
  C  C215  1  0.394761  0.716919  0.318806  1
  C  C216  1  0.394761  0.216919  0.318806  1
  C  C217  1  0.308807  0.696785  0.325894  1
  C  C218  1  0.308807  0.196785  0.325894  1
  C  C219  1  0.808807  0.696785  0.325894  1
  C  C220  1  0.808807  0.196785  0.325894  1
  C  C221  1  0.142140  0.696785  0.325894  1
  C  C222  1  0.142140  0.196785  0.325894  1
  C  C223  1  0.642140  0.696785  0.325894  1
  C  C224  1  0.642140  0.196785  0.325894  1
  C  C225  1  0.245794  0.563903  0.284662  1
  C  C226  1  0.245794  0.063903  0.284662  1
  C  C227  1  0.745794  0.563903  0.284662  1
  C  C228  1  0.745794  0.063903  0.284662  1
  C  C229  1  0.316908  0.507336  0.304577  1
  C  C230  1  0.316908  0.007336  0.304577  1
  C  C231  1  0.816908  0.507336  0.304577  1
  C  C232  1  0.816908  0.007336  0.304577  1
  C  C233  1  0.975474  0.696785  0.325894  1
  C  C234  1  0.975474  0.196785  0.325894  1
  C  C235  1  0.475474  0.696785  0.325894  1
  C  C236  1  0.475474  0.196785  0.325894  1
  C  C237  1  0.079128  0.563903  0.284662  1
  C  C238  1  0.079128  0.063903  0.284662  1
  C  C239  1  0.579128  0.563903  0.284662  1
  C  C240  1  0.579128  0.063903  0.284662  1
  C  C241  1  0.150241  0.507336  0.304577  1
  C  C242  1  0.150241  0.007336  0.304577  1
  C  C243  1  0.650241  0.507336  0.304577  1
  C  C244  1  0.650241  0.007336  0.304577  1
  C  C245  1  0.225474  0.446785  0.325894  1
  C  C246  1  0.225474  0.946785  0.325894  1
  C  C247  1  0.725474  0.446785  0.325894  1
  C  C248  1  0.725474  0.946785  0.325894  1
  C  C249  1  0.329128  0.813903  0.284662  1
  C  C250  1  0.329128  0.313903  0.284662  1
  C  C251  1  0.829128  0.813903  0.284662  1
  C  C252  1  0.829128  0.313903  0.284662  1
  C  C253  1  0.912461  0.563903  0.284662  1
  C  C254  1  0.912461  0.063903  0.284662  1
  C  C255  1  0.412461  0.563903  0.284662  1
  C  C256  1  0.412461  0.063903  0.284662  1
  C  C257  1  0.983575  0.507336  0.304577  1
  C  C258  1  0.983575  0.007336  0.304577  1
  C  C259  1  0.483575  0.507336  0.304577  1
  C  C260  1  0.483575  0.007336  0.304577  1
  C  C261  1  0.058807  0.446785  0.325894  1
  C  C262  1  0.058807  0.946785  0.325894  1
  C  C263  1  0.558807  0.446785  0.325894  1
  C  C264  1  0.558807  0.946785  0.325894  1
  C  C265  1  0.162461  0.813903  0.284662  1
  C  C266  1  0.162461  0.313903  0.284662  1
  C  C267  1  0.662461  0.813903  0.284662  1
  C  C268  1  0.662461  0.313903  0.284662  1
  C  C269  1  0.233575  0.757336  0.304577  1
  C  C270  1  0.233575  0.257336  0.304577  1
  C  C271  1  0.733575  0.757336  0.304577  1
  C  C272  1  0.733575  0.257336  0.304577  1
  C  C273  1  0.892140  0.446785  0.325894  1
  C  C274  1  0.892140  0.946785  0.325894  1
  C  C275  1  0.392140  0.446785  0.325894  1
  C  C276  1  0.392140  0.946785  0.325894  1
  C  C277  1  0.995794  0.813903  0.284662  1
  C  C278  1  0.995794  0.313903  0.284662  1
  C  C279  1  0.495794  0.813903  0.284662  1
  C  C280  1  0.495794  0.313903  0.284662  1
  C  C281  1  0.066908  0.757336  0.304577  1
  C  C282  1  0.066908  0.257336  0.304577  1
  C  C283  1  0.566908  0.757336  0.304577  1
  C  C284  1  0.566908  0.257336  0.304577  1
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  C  C1933  1  0.818395  0.210264  0.673201  1
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  C  C1945  1  0.140270  0.129745  0.701548  1
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  C  C1949  1  0.973603  0.129745  0.701548  1
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  C  C1953  1  0.074832  -0.000762  0.659480  1
  C  C1954  1  0.074832  0.499238  0.659480  1
  C  C1955  1  0.574832  -0.000762  0.659480  1
  C  C1956  1  0.574832  0.499238  0.659480  1
  C  C1957  1  0.149108  0.940130  0.680289  1
  C  C1958  1  0.149108  0.440130  0.680289  1
  C  C1959  1  0.649108  0.940130  0.680289  1
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  C  C1961  1  0.806936  0.129745  0.701548  1
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  C  C1963  1  0.306936  0.129745  0.701548  1
  C  C1964  1  0.306936  0.629745  0.701548  1
  C  C1965  1  0.908165  -0.000762  0.659480  1
  C  C1966  1  0.908165  0.499238  0.659480  1
  C  C1967  1  0.408165  -0.000762  0.659480  1
  C  C1968  1  0.408165  0.499238  0.659480  1
  C  C1969  1  0.982441  0.940130  0.680289  1
  C  C1970  1  0.982441  0.440130  0.680289  1
  C  C1971  1  0.482441  0.940130  0.680289  1
  C  C1972  1  0.482441  0.440130  0.680289  1
  C  C1973  1  0.056936  0.879745  0.701548  1
  C  C1974  1  0.056936  0.379745  0.701548  1
  C  C1975  1  0.556936  0.879745  0.701548  1
  C  C1976  1  0.556936  0.379745  0.701548  1
  C  C1977  1  0.158165  0.249238  0.659480  1
  C  C1978  1  0.158165  0.749238  0.659480  1
  C  C1979  1  0.658165  0.249238  0.659480  1
  C  C1980  1  0.658165  0.749238  0.659480  1
  C  C1981  1  0.741498  -0.000762  0.659480  1
  C  C1982  1  0.741498  0.499238  0.659480  1
  C  C1983  1  0.241498  -0.000762  0.659480  1
  C  C1984  1  0.241498  0.499238  0.659480  1
  C  C1985  1  0.815775  0.940130  0.680289  1
  C  C1986  1  0.815775  0.440130  0.680289  1
  C  C1987  1  0.315775  0.940130  0.680289  1
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  C  C1989  1  0.890270  0.879745  0.701548  1
  C  C1990  1  0.890270  0.379745  0.701548  1
  C  C1991  1  0.390270  0.879745  0.701548  1
  C  C1992  1  0.390270  0.379745  0.701548  1
  C  C1993  1  0.991498  0.249238  0.659480  1
  C  C1994  1  0.991498  0.749238  0.659480  1
  C  C1995  1  0.491498  0.249238  0.659480  1
  C  C1996  1  0.491498  0.749238  0.659480  1
  C  C1997  1  0.065775  0.190130  0.680289  1
  C  C1998  1  0.065775  0.690130  0.680289  1
  C  C1999  1  0.565775  0.190130  0.680289  1
  C  C2000  1  0.565775  0.690130  0.680289  1
  C  C2001  1  0.723603  0.879745  0.701548  1
  C  C2002  1  0.723603  0.379745  0.701548  1
  C  C2003  1  0.223603  0.879745  0.701548  1
  C  C2004  1  0.223603  0.379745  0.701548  1
  C  C2005  1  0.824832  0.249238  0.659480  1
  C  C2006  1  0.824832  0.749238  0.659480  1
  C  C2007  1  0.324832  0.249238  0.659480  1
  C  C2008  1  0.324832  0.749238  0.659480  1
  C  C2009  1  0.899108  0.190130  0.680289  1
  C  C2010  1  0.899108  0.690130  0.680289  1
  C  C2011  1  0.399108  0.190130  0.680289  1
  C  C2012  1  0.399108  0.690130  0.680289  1
  C  C2013  1  0.732441  0.190130  0.680289  1
  C  C2014  1  0.732441  0.690130  0.680289  1
  C  C2015  1  0.232441  0.190130  0.680289  1
  C  C2016  1  0.232441  0.690130  0.680289  1
