# generated using pymatgen
data_C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   45.08036642
_cell_length_b   32.01834958
_cell_length_c   48.49432568
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   53.93463334
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C
_chemical_formula_sum   C2016
_cell_volume   56581.5103755
_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  0.831495  0.392131  0.336069  1
  C  C2  1  0.831495  0.892131  0.336069  1
  C  C3  1  0.331495  0.392131  0.336069  1
  C  C4  1  0.331495  0.892131  0.336069  1
  C  C5  1  0.998162  0.392131  0.336069  1
  C  C6  1  0.998162  0.892131  0.336069  1
  C  C7  1  0.498162  0.392131  0.336069  1
  C  C8  1  0.498162  0.892131  0.336069  1
  C  C9  1  0.925366  0.452462  0.315381  1
  C  C10  1  0.925366  0.952462  0.315381  1
  C  C11  1  0.425366  0.452462  0.315381  1
  C  C12  1  0.425366  0.952462  0.315381  1
  C  C13  1  0.853978  0.510577  0.295453  1
  C  C14  1  0.853978  0.010577  0.295453  1
  C  C15  1  0.353978  0.510577  0.295453  1
  C  C16  1  0.353978  0.010577  0.295453  1
  C  C17  1  0.164828  0.392131  0.336069  1
  C  C18  1  0.164828  0.892131  0.336069  1
  C  C19  1  0.664828  0.392131  0.336069  1
  C  C20  1  0.664828  0.892131  0.336069  1
  C  C21  1  0.092033  0.452462  0.315381  1
  C  C22  1  0.092033  0.952462  0.315381  1
  C  C23  1  0.592033  0.452462  0.315381  1
  C  C24  1  0.592033  0.952462  0.315381  1
  C  C25  1  0.020645  0.510577  0.295453  1
  C  C26  1  0.020645  0.010577  0.295453  1
  C  C27  1  0.520645  0.510577  0.295453  1
  C  C28  1  0.520645  0.010577  0.295453  1
  C  C29  1  0.914828  0.642131  0.336069  1
  C  C30  1  0.914828  0.142131  0.336069  1
  C  C31  1  0.414828  0.642131  0.336069  1
  C  C32  1  0.414828  0.142131  0.336069  1
  C  C33  1  0.842033  0.702462  0.315381  1
  C  C34  1  0.842033  0.202462  0.315381  1
  C  C35  1  0.342033  0.702462  0.315381  1
  C  C36  1  0.342033  0.202462  0.315381  1
  C  C37  1  0.258699  0.452462  0.315381  1
  C  C38  1  0.258699  0.952462  0.315381  1
  C  C39  1  0.758699  0.452462  0.315381  1
  C  C40  1  0.758699  0.952462  0.315381  1
  C  C41  1  0.187311  0.510577  0.295453  1
  C  C42  1  0.187311  0.010577  0.295453  1
  C  C43  1  0.687311  0.510577  0.295453  1
  C  C44  1  0.687311  0.010577  0.295453  1
  C  C45  1  0.081495  0.642131  0.336069  1
  C  C46  1  0.081495  0.142131  0.336069  1
  C  C47  1  0.581495  0.642131  0.336069  1
  C  C48  1  0.581495  0.142131  0.336069  1
  C  C49  1  0.008699  0.702462  0.315381  1
  C  C50  1  0.008699  0.202462  0.315381  1
  C  C51  1  0.508699  0.702462  0.315381  1
  C  C52  1  0.508699  0.202462  0.315381  1
  C  C53  1  0.937311  0.760577  0.295453  1
  C  C54  1  0.937311  0.260577  0.295453  1
  C  C55  1  0.437311  0.760577  0.295453  1
  C  C56  1  0.437311  0.260577  0.295453  1
  C  C57  1  0.248162  0.642131  0.336069  1
  C  C58  1  0.248162  0.142131  0.336069  1
  C  C59  1  0.748162  0.642131  0.336069  1
  C  C60  1  0.748162  0.142131  0.336069  1
  C  C61  1  0.175366  0.702462  0.315381  1
  C  C62  1  0.175366  0.202462  0.315381  1
  C  C63  1  0.675366  0.702462  0.315381  1
  C  C64  1  0.675366  0.202462  0.315381  1
  C  C65  1  0.103978  0.760577  0.295453  1
  C  C66  1  0.103978  0.260577  0.295453  1
  C  C67  1  0.603978  0.760577  0.295453  1
  C  C68  1  0.603978  0.260577  0.295453  1
  C  C69  1  0.270645  0.760577  0.295453  1
  C  C70  1  0.270645  0.260577  0.295453  1
  C  C71  1  0.770645  0.760577  0.295453  1
  C  C72  1  0.770645  0.260577  0.295453  1
  C  C73  1  0.845469  0.473816  0.308059  1
  C  C74  1  0.845469  0.973816  0.308059  1
  C  C75  1  0.345469  0.473816  0.308059  1
  C  C76  1  0.345469  0.973816  0.308059  1
  C  C77  1  0.012136  0.473816  0.308059  1
  C  C78  1  0.012136  0.973816  0.308059  1
  C  C79  1  0.512136  0.473816  0.308059  1
  C  C80  1  0.512136  0.973816  0.308059  1
  C  C81  1  0.937631  0.532252  0.288020  1
  C  C82  1  0.937631  0.032252  0.288020  1
  C  C83  1  0.437631  0.532252  0.288020  1
  C  C84  1  0.437631  0.032252  0.288020  1
  C  C85  1  0.835084  0.662408  0.329116  1
  C  C86  1  0.835084  0.162408  0.329116  1
  C  C87  1  0.335084  0.662408  0.329116  1
  C  C88  1  0.335084  0.162408  0.329116  1
  C  C89  1  0.178803  0.473816  0.308059  1
  C  C90  1  0.178803  0.973816  0.308059  1
  C  C91  1  0.678803  0.473816  0.308059  1
  C  C92  1  0.678803  0.973816  0.308059  1
  C  C93  1  0.104298  0.532252  0.288020  1
  C  C94  1  0.104298  0.032252  0.288020  1
  C  C95  1  0.604298  0.532252  0.288020  1
  C  C96  1  0.604298  0.032252  0.288020  1
  C  C97  1  1.001751  0.662408  0.329116  1
  C  C98  1  1.001751  0.162408  0.329116  1
  C  C99  1  0.501751  0.662408  0.329116  1
  C  C100  1  0.501751  0.162408  0.329116  1
  C  C101  1  0.928803  0.723816  0.308059  1
  C  C102  1  0.928803  0.223816  0.308059  1
  C  C103  1  0.428803  0.723816  0.308059  1
  C  C104  1  0.428803  0.223816  0.308059  1
  C  C105  1  0.854298  0.782252  0.288020  1
  C  C106  1  0.854298  0.282252  0.288020  1
  C  C107  1  0.354298  0.782252  0.288020  1
  C  C108  1  0.354298  0.282252  0.288020  1
  C  C109  1  0.270964  0.532252  0.288020  1
  C  C110  1  0.270964  0.032252  0.288020  1
  C  C111  1  0.770964  0.532252  0.288020  1
  C  C112  1  0.770964  0.032252  0.288020  1
  C  C113  1  0.168417  0.662408  0.329116  1
  C  C114  1  0.168417  0.162408  0.329116  1
  C  C115  1  0.668417  0.662408  0.329116  1
  C  C116  1  0.668417  0.162408  0.329116  1
  C  C117  1  0.095469  0.723816  0.308059  1
  C  C118  1  0.095469  0.223816  0.308059  1
  C  C119  1  0.595469  0.723816  0.308059  1
  C  C120  1  0.595469  0.223816  0.308059  1
  C  C121  1  0.020964  0.782252  0.288020  1
  C  C122  1  0.020964  0.282252  0.288020  1
  C  C123  1  0.520964  0.782252  0.288020  1
  C  C124  1  0.520964  0.282252  0.288020  1
  C  C125  1  0.918417  0.412408  0.329116  1
  C  C126  1  0.918417  0.912408  0.329116  1
  C  C127  1  0.418417  0.412408  0.329116  1
  C  C128  1  0.418417  0.912408  0.329116  1
  C  C129  1  0.262136  0.723816  0.308059  1
  C  C130  1  0.262136  0.223816  0.308059  1
  C  C131  1  0.762136  0.723816  0.308059  1
  C  C132  1  0.762136  0.223816  0.308059  1
  C  C133  1  0.187631  0.782252  0.288020  1
  C  C134  1  0.187631  0.282252  0.288020  1
  C  C135  1  0.687631  0.782252  0.288020  1
  C  C136  1  0.687631  0.282252  0.288020  1
  C  C137  1  0.085084  0.412408  0.329116  1
  C  C138  1  0.085084  0.912408  0.329116  1
  C  C139  1  0.585084  0.412408  0.329116  1
  C  C140  1  0.585084  0.912408  0.329116  1
  C  C141  1  0.251751  0.412408  0.329116  1
  C  C142  1  0.251751  0.912408  0.329116  1
  C  C143  1  0.751751  0.412408  0.329116  1
  C  C144  1  0.751751  0.912408  0.329116  1
  C  C145  1  0.304270  0.484182  0.304504  1
  C  C146  1  0.304270  0.984182  0.304504  1
  C  C147  1  0.804270  0.484182  0.304504  1
  C  C148  1  0.804270  0.984182  0.304504  1
  C  C149  1  0.970937  0.484182  0.304504  1
  C  C150  1  0.970937  0.984182  0.304504  1
  C  C151  1  0.470937  0.484182  0.304504  1
  C  C152  1  0.470937  0.984182  0.304504  1
  C  C153  1  0.900653  0.542258  0.284589  1
  C  C154  1  0.900653  0.042258  0.284589  1
  C  C155  1  0.400653  0.542258  0.284589  1
  C  C156  1  0.400653  0.042258  0.284589  1
  C  C157  1  0.295283  0.672015  0.325822  1
  C  C158  1  0.295283  0.172015  0.325822  1
  C  C159  1  0.795283  0.672015  0.325822  1
  C  C160  1  0.795283  0.172015  0.325822  1
  C  C161  1  0.137604  0.484182  0.304504  1
  C  C162  1  0.137604  0.984182  0.304504  1
  C  C163  1  0.637604  0.484182  0.304504  1
  C  C164  1  0.637604  0.984182  0.304504  1
  C  C165  1  0.067320  0.542258  0.284589  1
  C  C166  1  0.067320  0.042258  0.284589  1
  C  C167  1  0.567320  0.542258  0.284589  1
  C  C168  1  0.567320  0.042258  0.284589  1
  C  C169  1  0.961950  0.672015  0.325822  1
  C  C170  1  0.961950  0.172015  0.325822  1
  C  C171  1  0.461950  0.672015  0.325822  1
  C  C172  1  0.461950  0.172015  0.325822  1
  C  C173  1  0.887604  0.734182  0.304504  1
  C  C174  1  0.887604  0.234182  0.304504  1
  C  C175  1  0.387604  0.734182  0.304504  1
  C  C176  1  0.387604  0.234182  0.304504  1
  C  C177  1  0.317320  0.792258  0.284589  1
  C  C178  1  0.317320  0.292258  0.284589  1
  C  C179  1  0.817320  0.792258  0.284589  1
  C  C180  1  0.817320  0.292258  0.284589  1
  C  C181  1  0.233986  0.542258  0.284589  1
  C  C182  1  0.233986  0.042258  0.284589  1
  C  C183  1  0.733986  0.542258  0.284589  1
  C  C184  1  0.733986  0.042258  0.284589  1
  C  C185  1  0.128616  0.672015  0.325822  1
  C  C186  1  0.128616  0.172015  0.325822  1
  C  C187  1  0.628616  0.672015  0.325822  1
  C  C188  1  0.628616  0.172015  0.325822  1
  C  C189  1  0.054270  0.734182  0.304504  1
  C  C190  1  0.054270  0.234182  0.304504  1
  C  C191  1  0.554270  0.734182  0.304504  1
  C  C192  1  0.554270  0.234182  0.304504  1
  C  C193  1  0.983986  0.792258  0.284589  1
  C  C194  1  0.983986  0.292258  0.284589  1
  C  C195  1  0.483986  0.792258  0.284589  1
  C  C196  1  0.483986  0.292258  0.284589  1
  C  C197  1  0.878616  0.422015  0.325822  1
  C  C198  1  0.878616  0.922015  0.325822  1
  C  C199  1  0.378616  0.422015  0.325822  1
  C  C200  1  0.378616  0.922015  0.325822  1
  C  C201  1  0.220937  0.734182  0.304504  1
  C  C202  1  0.220937  0.234182  0.304504  1
  C  C203  1  0.720937  0.734182  0.304504  1
  C  C204  1  0.720937  0.234182  0.304504  1
  C  C205  1  0.150653  0.792258  0.284589  1
  C  C206  1  0.150653  0.292258  0.284589  1
  C  C207  1  0.650653  0.792258  0.284589  1
  C  C208  1  0.650653  0.292258  0.284589  1
  C  C209  1  0.045283  0.422015  0.325822  1
  C  C210  1  0.045283  0.922015  0.325822  1
  C  C211  1  0.545283  0.422015  0.325822  1
  C  C212  1  0.545283  0.922015  0.325822  1
  C  C213  1  0.211950  0.422015  0.325822  1
  C  C214  1  0.211950  0.922015  0.325822  1
  C  C215  1  0.711950  0.422015  0.325822  1
  C  C216  1  0.711950  0.922015  0.325822  1
  C  C217  1  0.298200  0.442685  0.318734  1
  C  C218  1  0.298200  0.942685  0.318734  1
  C  C219  1  0.798200  0.442685  0.318734  1
  C  C220  1  0.798200  0.942685  0.318734  1
  C  C221  1  0.964867  0.442685  0.318734  1
  C  C222  1  0.964867  0.942685  0.318734  1
  C  C223  1  0.464867  0.442685  0.318734  1
  C  C224  1  0.464867  0.942685  0.318734  1
  C  C225  1  0.891256  0.504681  0.297475  1
  C  C226  1  0.891256  0.004681  0.297475  1
  C  C227  1  0.391256  0.504681  0.297475  1
  C  C228  1  0.391256  0.004681  0.297475  1
  C  C229  1  0.288278  0.631999  0.339543  1
  C  C230  1  0.288278  0.131999  0.339543  1
  C  C231  1  0.788278  0.631999  0.339543  1
  C  C232  1  0.788278  0.131999  0.339543  1
  C  C233  1  0.131533  0.442685  0.318734  1
  C  C234  1  0.131533  0.942685  0.318734  1
  C  C235  1  0.631533  0.442685  0.318734  1
  C  C236  1  0.631533  0.942685  0.318734  1
  C  C237  1  0.057922  0.504681  0.297475  1
  C  C238  1  0.057922  0.004681  0.297475  1
  C  C239  1  0.557922  0.504681  0.297475  1
  C  C240  1  0.557922  0.004681  0.297475  1
  C  C241  1  0.954944  0.631999  0.339543  1
  C  C242  1  0.954944  0.131999  0.339543  1
  C  C243  1  0.454944  0.631999  0.339543  1
  C  C244  1  0.454944  0.131999  0.339543  1
  C  C245  1  0.881533  0.692685  0.318734  1
  C  C246  1  0.881533  0.192685  0.318734  1
  C  C247  1  0.381533  0.692685  0.318734  1
  C  C248  1  0.381533  0.192685  0.318734  1
  C  C249  1  0.307922  0.754681  0.297475  1
  C  C250  1  0.307922  0.254681  0.297475  1
  C  C251  1  0.807922  0.754681  0.297475  1
  C  C252  1  0.807922  0.254681  0.297475  1
  C  C253  1  0.224589  0.504681  0.297475  1
  C  C254  1  0.224589  0.004681  0.297475  1
  C  C255  1  0.724589  0.504681  0.297475  1
  C  C256  1  0.724589  0.004681  0.297475  1
  C  C257  1  0.121611  0.631999  0.339543  1
  C  C258  1  0.121611  0.131999  0.339543  1
  C  C259  1  0.621611  0.631999  0.339543  1
  C  C260  1  0.621611  0.131999  0.339543  1
  C  C261  1  0.048200  0.692685  0.318734  1
  C  C262  1  0.048200  0.192685  0.318734  1
  C  C263  1  0.548200  0.692685  0.318734  1
  C  C264  1  0.548200  0.192685  0.318734  1
  C  C265  1  0.974589  0.754681  0.297475  1
  C  C266  1  0.974589  0.254681  0.297475  1
  C  C267  1  0.474589  0.754681  0.297475  1
  C  C268  1  0.474589  0.254681  0.297475  1
  C  C269  1  0.871611  0.381999  0.339543  1
  C  C270  1  0.871611  0.881999  0.339543  1
  C  C271  1  0.371611  0.381999  0.339543  1
  C  C272  1  0.371611  0.881999  0.339543  1
  C  C273  1  0.214867  0.692685  0.318734  1
  C  C274  1  0.214867  0.192685  0.318734  1
  C  C275  1  0.714867  0.692685  0.318734  1
  C  C276  1  0.714867  0.192685  0.318734  1
  C  C277  1  0.141256  0.754681  0.297475  1
  C  C278  1  0.141256  0.254681  0.297475  1
  C  C279  1  0.641256  0.754681  0.297475  1
  C  C280  1  0.641256  0.254681  0.297475  1
  C  C281  1  0.038278  0.381999  0.339543  1
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  C  C1925  1  0.694453  0.826507  0.701475  1
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  C  C1929  1  0.037509  0.138503  0.680216  1
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  C  C1933  1  0.964098  0.199189  0.659406  1
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  C  C1935  1  0.464098  0.199189  0.659406  1
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  C  C1937  1  0.861120  0.826507  0.701475  1
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  C  C1939  1  0.361120  0.826507  0.701475  1
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  C  C1941  1  0.027787  0.826507  0.701475  1
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  C  C1943  1  0.527787  0.826507  0.701475  1
  C  C1944  1  0.527787  0.326507  0.701475  1
  C  C1945  1  0.114772  0.847006  0.694445  1
  C  C1946  1  0.114772  0.347006  0.694445  1
  C  C1947  1  0.614772  0.847006  0.694445  1
  C  C1948  1  0.614772  0.347006  0.694445  1
  C  C1949  1  0.781439  0.847006  0.694445  1
  C  C1950  1  0.781439  0.347006  0.694445  1
  C  C1951  1  0.281439  0.847006  0.694445  1
  C  C1952  1  0.281439  0.347006  0.694445  1
  C  C1953  1  0.707093  0.909173  0.673128  1
  C  C1954  1  0.707093  0.409173  0.673128  1
  C  C1955  1  0.207093  0.909173  0.673128  1
  C  C1956  1  0.207093  0.409173  0.673128  1
  C  C1957  1  0.101723  0.038930  0.714360  1
  C  C1958  1  0.101723  0.538930  0.714360  1
  C  C1959  1  0.601723  0.038930  0.714360  1
  C  C1960  1  0.601723  0.538930  0.714360  1
  C  C1961  1  0.948105  0.847006  0.694445  1
  C  C1962  1  0.948105  0.347006  0.694445  1
  C  C1963  1  0.448105  0.847006  0.694445  1
  C  C1964  1  0.448105  0.347006  0.694445  1
  C  C1965  1  0.873760  0.909173  0.673128  1
  C  C1966  1  0.873760  0.409173  0.673128  1
  C  C1967  1  0.373760  0.909173  0.673128  1
  C  C1968  1  0.373760  0.409173  0.673128  1
  C  C1969  1  0.768389  0.038930  0.714360  1
  C  C1970  1  0.768389  0.538930  0.714360  1
  C  C1971  1  0.268389  0.038930  0.714360  1
  C  C1972  1  0.268389  0.538930  0.714360  1
  C  C1973  1  0.698105  0.097006  0.694445  1
  C  C1974  1  0.698105  0.597006  0.694445  1
  C  C1975  1  0.198105  0.097006  0.694445  1
  C  C1976  1  0.198105  0.597006  0.694445  1
  C  C1977  1  0.123760  0.159173  0.673128  1
  C  C1978  1  0.123760  0.659173  0.673128  1
  C  C1979  1  0.623760  0.159173  0.673128  1
  C  C1980  1  0.623760  0.659173  0.673128  1
  C  C1981  1  0.040426  0.909173  0.673128  1
  C  C1982  1  0.040426  0.409173  0.673128  1
  C  C1983  1  0.540426  0.909173  0.673128  1
  C  C1984  1  0.540426  0.409173  0.673128  1
  C  C1985  1  0.935056  0.038930  0.714360  1
  C  C1986  1  0.935056  0.538930  0.714360  1
  C  C1987  1  0.435056  0.038930  0.714360  1
  C  C1988  1  0.435056  0.538930  0.714360  1
  C  C1989  1  0.864772  0.097006  0.694445  1
  C  C1990  1  0.864772  0.597006  0.694445  1
  C  C1991  1  0.364772  0.097006  0.694445  1
  C  C1992  1  0.364772  0.597006  0.694445  1
  C  C1993  1  0.790426  0.159173  0.673128  1
  C  C1994  1  0.790426  0.659173  0.673128  1
  C  C1995  1  0.290426  0.159173  0.673128  1
  C  C1996  1  0.290426  0.659173  0.673128  1
  C  C1997  1  0.685056  0.788930  0.714360  1
  C  C1998  1  0.685056  0.288930  0.714360  1
  C  C1999  1  0.185056  0.788930  0.714360  1
  C  C2000  1  0.185056  0.288930  0.714360  1
  C  C2001  1  0.031439  0.097006  0.694445  1
  C  C2002  1  0.031439  0.597006  0.694445  1
  C  C2003  1  0.531439  0.097006  0.694445  1
  C  C2004  1  0.531439  0.597006  0.694445  1
  C  C2005  1  0.957093  0.159173  0.673128  1
  C  C2006  1  0.957093  0.659173  0.673128  1
  C  C2007  1  0.457093  0.159173  0.673128  1
  C  C2008  1  0.457093  0.659173  0.673128  1
  C  C2009  1  0.851723  0.788930  0.714360  1
  C  C2010  1  0.851723  0.288930  0.714360  1
  C  C2011  1  0.351723  0.788930  0.714360  1
  C  C2012  1  0.351723  0.288930  0.714360  1
  C  C2013  1  0.018389  0.788930  0.714360  1
  C  C2014  1  0.018389  0.288930  0.714360  1
  C  C2015  1  0.518389  0.788930  0.714360  1
  C  C2016  1  0.518389  0.288930  0.714360  1
