# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71432395
_cell_length_b   18.21919244
_cell_length_c   51.69575111
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.38650237
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe252 C108'
_cell_volume   6215.72881874
_cell_formula_units_Z   36
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
  Fe  Fe1  1  0.958911  0.737344  0.326279  1
  Fe  Fe2  1  0.645935  0.368762  0.274028  1
  Fe  Fe3  1  0.301094  0.053210  0.299790  1
  Fe  Fe4  1  0.484137  0.680112  0.289442  1
  Fe  Fe5  1  0.146236  0.362564  0.316180  1
  Fe  Fe6  1  0.806078  0.046213  0.340773  1
  Fe  Fe7  1  0.773132  0.823137  0.294662  1
  Fe  Fe8  1  0.425733  0.509783  0.320216  1
  Fe  Fe9  1  0.112088  0.141115  0.268364  1
  Fe  Fe10  1  0.407703  0.558439  0.274700  1
  Fe  Fe11  1  0.063924  0.245120  0.301027  1
  Fe  Fe12  1  0.715764  0.927712  0.327242  1
  Fe  Fe13  1  0.593665  0.812378  0.336610  1
  Fe  Fe14  1  0.278619  0.442427  0.284820  1
  Fe  Fe15  1  0.934608  0.130458  0.310461  1
  Fe  Fe16  1  0.186396  0.626968  0.310303  1
  Fe  Fe17  1  0.845886  0.307964  0.336812  1
  Fe  Fe18  1  0.529616  0.940560  0.284831  1
  Fe  Fe19  1  0.403485  0.823124  0.294665  1
  Fe  Fe20  1  0.064254  0.509794  0.320223  1
  Fe  Fe21  1  0.746528  0.141120  0.268371  1
  Fe  Fe22  1  0.033560  0.558430  0.274698  1
  Fe  Fe23  1  0.690630  0.245119  0.301025  1
  Fe  Fe24  1  0.356161  0.927717  0.327231  1
  Fe  Fe25  1  0.076905  0.845946  0.317395  1
  Fe  Fe26  1  0.734778  0.530197  0.342099  1
  Fe  Fe27  1  0.416781  0.166183  0.290821  1
  Fe  Fe28  1  0.715302  0.569097  0.298421  1
  Fe  Fe29  1  0.372941  0.253809  0.325004  1
  Fe  Fe30  1  0.054228  0.891183  0.272009  1
  Fe  Fe31  1  0.835474  0.680114  0.289440  1
  Fe  Fe32  1  0.490909  0.362568  0.316179  1
  Fe  Fe33  1  0.147443  0.046230  0.340778  1
  Fe  Fe34  1  0.303504  0.737345  0.326281  1
  Fe  Fe35  1  0.984991  0.368777  0.274028  1
  Fe  Fe36  1  0.645405  0.053216  0.299790  1
  Fe  Fe37  1  0.666767  0.666257  0.330447  1
  Fe  Fe38  1  0.349782  0.300083  0.276359  1
  Fe  Fe39  1  0.008464  0.982952  0.303958  1
  Fe  Fe40  1  0.127201  0.745346  0.279767  1
  Fe  Fe41  1  0.784426  0.430766  0.309081  1
  Fe  Fe42  1  0.442043  0.115546  0.334457  1
  Fe  Fe43  1  0.935364  0.789590  0.402334  1
  Fe  Fe44  1  0.619501  0.421801  0.350960  1
  Fe  Fe45  1  0.276488  0.105506  0.376946  1
  Fe  Fe46  1  0.464626  0.730188  0.367015  1
  Fe  Fe47  1  0.122720  0.414044  0.392147  1
  Fe  Fe48  1  0.780765  0.097797  0.418040  1
  Fe  Fe49  1  0.739748  0.878398  0.372014  1
  Fe  Fe50  1  0.402531  0.560960  0.397377  1
  Fe  Fe51  1  0.088377  0.192517  0.345967  1
  Fe  Fe52  1  0.379508  0.612523  0.352286  1
  Fe  Fe53  1  0.030315  0.295635  0.378831  1
  Fe  Fe54  1  0.692426  0.980093  0.403945  1
  Fe  Fe55  1  0.566841  0.866026  0.413545  1
  Fe  Fe56  1  0.250436  0.498830  0.362135  1
  Fe  Fe57  1  0.909654  0.180385  0.387692  1
  Fe  Fe58  1  0.162361  0.675043  0.388510  1
  Fe  Fe59  1  0.819487  0.360788  0.413741  1
  Fe  Fe60  1  0.503286  0.993184  0.362351  1
  Fe  Fe61  1  0.381627  0.878400  0.372018  1
  Fe  Fe62  1  0.036268  0.560961  0.397381  1
  Fe  Fe63  1  0.718847  0.192527  0.345971  1
  Fe  Fe64  1  0.007668  0.612519  0.352284  1
  Fe  Fe65  1  0.673755  0.295631  0.378829  1
  Fe  Fe66  1  0.327182  0.980093  0.403942  1
  Fe  Fe67  1  0.051196  0.897351  0.393522  1
  Fe  Fe68  1  0.709356  0.581031  0.419434  1
  Fe  Fe69  1  0.393219  0.213296  0.368420  1
  Fe  Fe70  1  0.688786  0.622143  0.375563  1
  Fe  Fe71  1  0.346613  0.306490  0.401018  1
  Fe  Fe72  1  0.030385  0.938923  0.349628  1
  Fe  Fe73  1  0.804928  0.730193  0.367017  1
  Fe  Fe74  1  0.462980  0.414052  0.392150  1
  Fe  Fe75  1  0.121193  0.097811  0.418046  1
  Fe  Fe76  1  0.274774  0.789592  0.402331  1
  Fe  Fe77  1  0.958414  0.421805  0.350958  1
  Fe  Fe78  1  0.617694  0.105512  0.376940  1
  Fe  Fe79  1  0.640063  0.719680  0.407765  1
  Fe  Fe80  1  0.323908  0.351943  0.356312  1
  Fe  Fe81  1  0.981837  0.036135  0.381798  1
  Fe  Fe82  1  0.100534  0.798623  0.360655  1
  Fe  Fe83  1  0.757973  0.483719  0.386154  1
  Fe  Fe84  1  0.416349  0.166967  0.411941  1
  Fe  Fe85  1  0.909000  0.841522  0.479340  1
  Fe  Fe86  1  0.592706  0.473576  0.428110  1
  Fe  Fe87  1  0.251047  0.157449  0.453553  1
  Fe  Fe88  1  0.438708  0.782068  0.443551  1
  Fe  Fe89  1  0.096983  0.465761  0.469110  1
  Fe  Fe90  1  0.754554  0.149843  0.494856  1
  Fe  Fe91  1  0.717420  0.929097  0.448702  1
  Fe  Fe92  1  0.373737  0.613699  0.474346  1
  Fe  Fe93  1  0.056965  0.246019  0.423139  1
  Fe  Fe94  1  0.348652  0.663977  0.429825  1
  Fe  Fe95  1  0.007349  0.347824  0.455238  1
  Fe  Fe96  1  0.665258  0.031978  0.481001  1
  Fe  Fe97  1  0.541050  0.917603  0.490230  1
  Fe  Fe98  1  0.225256  0.549195  0.438907  1
  Fe  Fe99  1  0.883266  0.233173  0.464658  1
  Fe  Fe100  1  0.135688  0.728394  0.465061  1
  Fe  Fe101  1  0.794000  0.411771  0.490684  1
  Fe  Fe102  1  0.478092  0.043582  0.439481  1
  Fe  Fe103  1  0.353236  0.929094  0.448705  1
  Fe  Fe104  1  0.012316  0.613696  0.474348  1
  Fe  Fe105  1  0.696762  0.246018  0.423141  1
  Fe  Fe106  1  0.987091  0.663973  0.429824  1
  Fe  Fe107  1  0.644550  0.347820  0.455237  1
  Fe  Fe108  1  0.302491  0.031973  0.481001  1
  Fe  Fe109  1  0.025364  0.949012  0.470581  1
  Fe  Fe110  1  0.683342  0.633057  0.496147  1
  Fe  Fe111  1  0.367257  0.265224  0.444857  1
  Fe  Fe112  1  0.662668  0.674391  0.452327  1
  Fe  Fe113  1  0.320754  0.358222  0.477802  1
  Fe  Fe114  1  0.004695  0.990333  0.426682  1
  Fe  Fe115  1  0.778980  0.782077  0.443555  1
  Fe  Fe116  1  0.437015  0.465772  0.469115  1
  Fe  Fe117  1  0.095362  0.149854  0.494861  1
  Fe  Fe118  1  0.249197  0.841524  0.479335  1
  Fe  Fe119  1  0.933434  0.473579  0.428105  1
  Fe  Fe120  1  0.591213  0.157452  0.453548  1
  Fe  Fe121  1  0.614070  0.771671  0.484559  1
  Fe  Fe122  1  0.297931  0.403939  0.433199  1
  Fe  Fe123  1  0.956075  0.087658  0.458824  1
  Fe  Fe124  1  0.074171  0.851342  0.437527  1
  Fe  Fe125  1  0.732303  0.535071  0.463130  1
  Fe  Fe126  1  0.390264  0.219151  0.488701  1
  Fe  Fe127  1  0.882852  0.893065  0.556305  1
  Fe  Fe128  1  0.566960  0.525377  0.504795  1
  Fe  Fe129  1  0.225135  0.209490  0.530422  1
  Fe  Fe130  1  0.413106  0.833745  0.520290  1
  Fe  Fe131  1  0.070698  0.517884  0.546101  1
  Fe  Fe132  1  0.729255  0.201561  0.571298  1
  Fe  Fe133  1  0.690850  0.981308  0.525645  1
  Fe  Fe134  1  0.347952  0.665430  0.551078  1
  Fe  Fe135  1  0.032562  0.297296  0.499874  1
  Fe  Fe136  1  0.322831  0.715690  0.506538  1
  Fe  Fe137  1  0.981831  0.400047  0.532127  1
  Fe  Fe138  1  0.637905  0.083208  0.557789  1
  Fe  Fe139  1  0.515955  0.967799  0.567360  1
  Fe  Fe140  1  0.199438  0.600832  0.515873  1
  Fe  Fe141  1  0.856899  0.285908  0.541308  1
  Fe  Fe142  1  0.109760  0.780255  0.541991  1
  Fe  Fe143  1  0.768130  0.463506  0.567410  1
  Fe  Fe144  1  0.451919  0.095931  0.516212  1
  Fe  Fe145  1  0.327594  0.981305  0.525647  1
  Fe  Fe146  1  0.986375  0.665426  0.551080  1
  Fe  Fe147  1  0.669891  0.297292  0.499876  1
  Fe  Fe148  1  0.961211  0.715685  0.506537  1
  Fe  Fe149  1  0.617850  0.400043  0.532127  1
  Fe  Fe150  1  0.278626  0.083202  0.557789  1
  Fe  Fe151  1  0.999354  0.001033  0.547614  1
  Fe  Fe152  1  0.657383  0.684977  0.572776  1
  Fe  Fe153  1  0.341411  0.316917  0.521644  1
  Fe  Fe154  1  0.636784  0.726165  0.529022  1
  Fe  Fe155  1  0.294778  0.410177  0.554820  1
  Fe  Fe156  1  0.978722  0.042285  0.503624  1
  Fe  Fe157  1  0.752912  0.833756  0.520295  1
  Fe  Fe158  1  0.411184  0.517895  0.546106  1
  Fe  Fe159  1  0.068947  0.201573  0.571303  1
  Fe  Fe160  1  0.223797  0.893067  0.556299  1
  Fe  Fe161  1  0.907381  0.525378  0.504790  1
  Fe  Fe162  1  0.565090  0.209492  0.530416  1
  Fe  Fe163  1  0.588160  0.823496  0.561310  1
  Fe  Fe164  1  0.272113  0.455586  0.510029  1
  Fe  Fe165  1  0.930102  0.139604  0.535727  1
  Fe  Fe166  1  0.048279  0.903113  0.514406  1
  Fe  Fe167  1  0.706319  0.587040  0.539934  1
  Fe  Fe168  1  0.364364  0.270949  0.565505  1
  Fe  Fe169  1  0.857408  0.945610  0.632852  1
  Fe  Fe170  1  0.541023  0.577648  0.581483  1
  Fe  Fe171  1  0.198524  0.261055  0.607455  1
  Fe  Fe172  1  0.385956  0.886087  0.597907  1
  Fe  Fe173  1  0.044717  0.569998  0.622540  1
  Fe  Fe174  1  0.702225  0.253825  0.649159  1
  Fe  Fe175  1  0.662739  0.033639  0.602369  1
  Fe  Fe176  1  0.327275  0.716267  0.628256  1
  Fe  Fe177  1  0.007462  0.349152  0.576778  1
  Fe  Fe178  1  0.299393  0.768502  0.583409  1
  Fe  Fe179  1  0.953520  0.451111  0.608967  1
  Fe  Fe180  1  0.615534  0.136648  0.634480  1
  Fe  Fe181  1  0.488339  0.023050  0.644023  1
  Fe  Fe182  1  0.172830  0.654055  0.592560  1
  Fe  Fe183  1  0.832327  0.335059  0.618507  1
  Fe  Fe184  1  0.084481  0.830813  0.618901  1
  Fe  Fe185  1  0.741104  0.517560  0.644175  1
  Fe  Fe186  1  0.425632  0.148517  0.593089  1
  Fe  Fe187  1  0.303385  0.033635  0.602371  1
  Fe  Fe188  1  0.956231  0.716265  0.628257  1
  Fe  Fe189  1  0.643144  0.349150  0.576779  1
  Fe  Fe190  1  0.931839  0.768499  0.583409  1
  Fe  Fe191  1  0.595100  0.451110  0.608968  1
  Fe  Fe192  1  0.247530  0.136651  0.634481  1
  Fe  Fe193  1  0.973486  0.052778  0.623794  1
  Fe  Fe194  1  0.631142  0.737445  0.651051  1
  Fe  Fe195  1  0.315317  0.369094  0.598882  1
  Fe  Fe196  1  0.610965  0.777810  0.606500  1
  Fe  Fe197  1  0.268730  0.462286  0.631257  1
  Fe  Fe198  1  0.952799  0.094140  0.580095  1
  Fe  Fe199  1  0.727735  0.886099  0.597913  1
  Fe  Fe200  1  0.385060  0.570009  0.622546  1
  Fe  Fe201  1  0.043741  0.253841  0.649172  1
  Fe  Fe202  1  0.196704  0.945613  0.632845  1
  Fe  Fe203  1  0.881049  0.577650  0.581477  1
  Fe  Fe204  1  0.540128  0.261056  0.607447  1
  Fe  Fe205  1  0.562194  0.875426  0.638432  1
  Fe  Fe206  1  0.246132  0.507539  0.586956  1
  Fe  Fe207  1  0.904164  0.191496  0.612369  1
  Fe  Fe208  1  0.022303  0.955073  0.591308  1
  Fe  Fe209  1  0.680404  0.638879  0.616665  1
  Fe  Fe210  1  0.338275  0.323145  0.642439  1
  Fe  Fe211  1  0.822279  0.997093  0.713957  1
  Fe  Fe212  1  0.511184  0.628504  0.659766  1
  Fe  Fe213  1  0.174458  0.313504  0.683039  1
  Fe  Fe214  1  0.359724  0.939407  0.673800  1
  Fe  Fe215  1  0.004511  0.626068  0.703982  1
  Fe  Fe216  1  0.678448  0.303728  0.723918  1
  Fe  Fe217  1  0.651032  0.082851  0.679983  1
  Fe  Fe218  1  0.300142  0.770544  0.705719  1
  Fe  Fe219  1  0.976242  0.401917  0.653395  1
  Fe  Fe220  1  0.268364  0.818815  0.660560  1
  Fe  Fe221  1  0.939805  0.505545  0.686009  1
  Fe  Fe222  1  0.587825  0.188861  0.711905  1
  Fe  Fe223  1  0.466411  0.066837  0.722550  1
  Fe  Fe224  1  0.149737  0.700254  0.670582  1
  Fe  Fe225  1  0.804347  0.391034  0.695235  1
  Fe  Fe226  1  0.056323  0.887158  0.695700  1
  Fe  Fe227  1  0.713564  0.572709  0.722043  1
  Fe  Fe228  1  0.401427  0.196899  0.669888  1
  Fe  Fe229  1  0.265868  0.082844  0.679985  1
  Fe  Fe230  1  0.929084  0.770541  0.705716  1
  Fe  Fe231  1  0.621583  0.401915  0.653394  1
  Fe  Fe232  1  0.912556  0.818816  0.660561  1
  Fe  Fe233  1  0.554401  0.505539  0.686010  1
  Fe  Fe234  1  0.223030  0.188852  0.711912  1
  Fe  Fe235  1  0.943183  0.113309  0.704698  1
  Fe  Fe236  1  0.607146  0.785465  0.725057  1
  Fe  Fe237  1  0.289280  0.421177  0.674624  1
  Fe  Fe238  1  0.584410  0.830984  0.682576  1
  Fe  Fe239  1  0.244433  0.510950  0.712036  1
  Fe  Fe240  1  0.927101  0.145551  0.657581  1
  Fe  Fe241  1  0.700672  0.939421  0.673810  1
  Fe  Fe242  1  0.369188  0.626074  0.703993  1
  Fe  Fe243  1  0.017556  0.303733  0.723920  1
  Fe  Fe244  1  0.180394  0.997071  0.713953  1
  Fe  Fe245  1  0.860017  0.628503  0.659756  1
  Fe  Fe246  1  0.511741  0.313498  0.683034  1
  Fe  Fe247  1  0.535880  0.928055  0.715109  1
  Fe  Fe248  1  0.220305  0.559185  0.663575  1
  Fe  Fe249  1  0.878463  0.242861  0.689533  1
  Fe  Fe250  1  0.996304  0.007101  0.667914  1
  Fe  Fe251  1  0.655126  0.689466  0.693732  1
  Fe  Fe252  1  0.312408  0.374893  0.719008  1
  C  C253  1  0.916492  0.610385  0.317080  1
  C  C254  1  0.574428  0.293878  0.344021  1
  C  C255  1  0.260415  0.924523  0.292294  1
  C  C256  1  0.303963  0.834622  0.340639  1
  C  C257  1  0.989088  0.465224  0.288857  1
  C  C258  1  0.644482  0.150760  0.314021  1
  C  C259  1  0.180055  0.639600  0.273372  1
  C  C260  1  0.836587  0.326530  0.300189  1
  C  C261  1  0.494246  0.011208  0.325695  1
  C  C262  1  0.625497  0.748766  0.306660  1
  C  C263  1  0.282730  0.434277  0.332439  1
  C  C264  1  0.966625  0.066462  0.280615  1
  C  C265  1  0.472868  0.610387  0.317085  1
  C  C266  1  0.131418  0.293878  0.344024  1
  C  C267  1  0.814818  0.924543  0.292311  1
  C  C268  1  0.861142  0.834617  0.340635  1
  C  C269  1  0.545379  0.465219  0.288845  1
  C  C270  1  0.204448  0.150759  0.314013  1
  C  C271  1  0.889081  0.661843  0.394952  1
  C  C272  1  0.547143  0.346454  0.420308  1
  C  C273  1  0.231187  0.978633  0.368947  1
  C  C274  1  0.276597  0.886400  0.417052  1
  C  C275  1  0.960261  0.518662  0.365619  1
  C  C276  1  0.619922  0.202189  0.391722  1
  C  C277  1  0.152740  0.694242  0.351942  1
  C  C278  1  0.810075  0.379580  0.377132  1
  C  C279  1  0.468453  0.062832  0.402904  1
  C  C280  1  0.599016  0.801715  0.383779  1
  C  C281  1  0.257150  0.485437  0.408997  1
  C  C282  1  0.941081  0.117537  0.357553  1
  C  C283  1  0.448830  0.661850  0.394955  1
  C  C284  1  0.106155  0.346460  0.420311  1
  C  C285  1  0.789924  0.978643  0.368952  1
  C  C286  1  0.836720  0.886402  0.417049  1
  C  C287  1  0.520788  0.518665  0.365614  1
  C  C288  1  0.177592  0.202192  0.391719  1
  C  C289  1  0.863250  0.714239  0.471640  1
  C  C290  1  0.521244  0.397902  0.497186  1
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  C  C293  1  0.935400  0.570345  0.442840  1
  C  C294  1  0.593150  0.254198  0.468307  1
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  C  C299  1  0.231222  0.537291  0.485906  1
  C  C300  1  0.915133  0.169455  0.434737  1
  C  C301  1  0.422271  0.714247  0.471641  1
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  C  C305  1  0.493968  0.570350  0.442836  1
  C  C306  1  0.152363  0.254203  0.468304  1
  C  C307  1  0.837220  0.765952  0.548382  1
  C  C308  1  0.495444  0.449915  0.574149  1
  C  C309  1  0.179504  0.081995  0.522943  1
  C  C310  1  0.225851  0.989898  0.570971  1
  C  C311  1  0.909368  0.622092  0.519572  1
  C  C312  1  0.566931  0.306294  0.545136  1
  C  C313  1  0.100390  0.798969  0.505379  1
  C  C314  1  0.758399  0.482950  0.530847  1
  C  C315  1  0.416465  0.166820  0.556452  1
  C  C316  1  0.547290  0.905156  0.537165  1
  C  C317  1  0.205186  0.589366  0.562888  1
  C  C318  1  0.889206  0.221321  0.511615  1
  C  C319  1  0.396594  0.765960  0.548384  1
  C  C320  1  0.054401  0.449922  0.574149  1
  C  C321  1  0.738261  0.082003  0.522944  1
  C  C322  1  0.783964  0.989905  0.570968  1
  C  C323  1  0.468254  0.622097  0.519569  1
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  C  C325  1  0.811763  0.817532  0.625801  1
  C  C326  1  0.469683  0.501979  0.650559  1
  C  C327  1  0.153247  0.133958  0.599444  1
  C  C328  1  0.198069  0.042639  0.647421  1
  C  C329  1  0.882783  0.674358  0.596284  1
  C  C330  1  0.542317  0.357825  0.622161  1
  C  C331  1  0.074440  0.850876  0.582375  1
  C  C332  1  0.732467  0.534828  0.607474  1
  C  C333  1  0.390400  0.218961  0.633506  1
  C  C334  1  0.521038  0.957668  0.614532  1
  C  C335  1  0.179311  0.641126  0.639518  1
  C  C336  1  0.863361  0.273011  0.588164  1
  C  C337  1  0.370471  0.817541  0.625801  1
  C  C338  1  0.028100  0.501984  0.650558  1
  C  C339  1  0.712566  0.133967  0.599445  1
  C  C340  1  0.759026  0.042643  0.647419  1
  C  C341  1  0.442578  0.674363  0.596282  1
  C  C342  1  0.099574  0.357831  0.622161  1
  C  C343  1  0.784679  0.871306  0.701797  1
  C  C344  1  0.450668  0.551203  0.730001  1
  C  C345  1  0.128118  0.184903  0.676948  1
  C  C346  1  0.178255  0.096359  0.726621  1
  C  C347  1  0.859821  0.725889  0.674064  1
  C  C348  1  0.513893  0.409657  0.698257  1
  C  C349  1  0.048443  0.902887  0.658901  1
  C  C350  1  0.707383  0.584999  0.685109  1
  C  C351  1  0.364220  0.271274  0.709279  1
  C  C352  1  0.494910  0.009923  0.691024  1
  C  C353  1  0.151112  0.697505  0.718431  1
  C  C354  1  0.837119  0.325475  0.665780  1
  C  C355  1  0.343817  0.871307  0.701793  1
  C  C356  1  0.997960  0.551215  0.729999  1
  C  C357  1  0.686733  0.184913  0.676943  1
  C  C358  1  0.725036  0.096375  0.726621  1
  C  C359  1  0.414018  0.725898  0.674066  1
  C  C360  1  0.076176  0.409668  0.698258  1
