# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.08740311
_cell_length_b   20.19052614
_cell_length_c   47.10876645
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.98347372
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe540 C180'
_cell_volume   14315.1490722
_cell_formula_units_Z   180
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  0.105433  0.744780  0.296301  1
  Fe  Fe2  1  0.438771  0.411447  0.296304  1
  Fe  Fe3  1  0.405370  0.745256  0.328635  1
  Fe  Fe4  1  0.772099  0.078113  0.296300  1
  Fe  Fe5  1  0.738694  0.411921  0.328640  1
  Fe  Fe6  1  0.709188  0.728813  0.357365  1
  Fe  Fe7  1  0.072031  0.078586  0.328641  1
  Fe  Fe8  1  0.042537  0.395482  0.357365  1
  Fe  Fe9  1  0.375863  0.062147  0.357365  1
  Fe  Fe10  1  0.211973  0.563325  0.353672  1
  Fe  Fe11  1  0.545306  0.229993  0.353672  1
  Fe  Fe12  1  0.593882  0.594941  0.292277  1
  Fe  Fe13  1  0.878638  0.896658  0.353672  1
  Fe  Fe14  1  0.927205  0.261622  0.292277  1
  Fe  Fe15  1  0.903931  0.579546  0.323543  1
  Fe  Fe16  1  0.260553  0.928266  0.292278  1
  Fe  Fe17  1  0.237267  0.246222  0.323544  1
  Fe  Fe18  1  0.570602  0.912878  0.323541  1
  Fe  Fe19  1  0.099308  0.734685  0.346943  1
  Fe  Fe20  1  0.432607  0.401356  0.346935  1
  Fe  Fe21  1  0.488095  0.755252  0.286381  1
  Fe  Fe22  1  0.765936  0.068024  0.346933  1
  Fe  Fe23  1  0.821427  0.421920  0.286374  1
  Fe  Fe24  1  0.791718  0.750569  0.316522  1
  Fe  Fe25  1  0.154760  0.088587  0.286378  1
  Fe  Fe26  1  0.125050  0.417236  0.316522  1
  Fe  Fe27  1  0.458429  0.083904  0.316518  1
  Fe  Fe28  1  0.301254  0.584721  0.312931  1
  Fe  Fe29  1  0.634587  0.251390  0.312932  1
  Fe  Fe30  1  0.604214  0.569344  0.344219  1
  Fe  Fe31  1  0.967920  0.918055  0.312931  1
  Fe  Fe32  1  0.937546  0.236007  0.344220  1
  Fe  Fe33  1  0.994003  0.599085  0.283562  1
  Fe  Fe34  1  0.270880  0.902674  0.344220  1
  Fe  Fe35  1  0.327336  0.265752  0.283562  1
  Fe  Fe36  1  0.660670  0.932418  0.283563  1
  Fe  Fe37  1  0.268148  0.703035  0.292681  1
  Fe  Fe38  1  0.601484  0.369702  0.292682  1
  Fe  Fe39  1  0.571406  0.685777  0.323484  1
  Fe  Fe40  1  0.934811  0.036375  0.292684  1
  Fe  Fe41  1  0.904787  0.352409  0.323472  1
  Fe  Fe42  1  0.876274  0.673396  0.350352  1
  Fe  Fe43  1  0.238114  0.019090  0.323461  1
  Fe  Fe44  1  0.209608  0.340064  0.350353  1
  Fe  Fe45  1  0.542941  0.006732  0.350352  1
  Fe  Fe46  1  0.033200  0.619809  0.358762  1
  Fe  Fe47  1  0.366534  0.286476  0.358762  1
  Fe  Fe48  1  0.425615  0.651061  0.302346  1
  Fe  Fe49  1  0.699867  0.953141  0.358762  1
  Fe  Fe50  1  0.758941  0.317727  0.302343  1
  Fe  Fe51  1  0.727574  0.634519  0.330199  1
  Fe  Fe52  1  0.092279  0.984396  0.302345  1
  Fe  Fe53  1  0.060903  0.301189  0.330204  1
  Fe  Fe54  1  0.394242  0.967848  0.330197  1
  Fe  Fe55  1  0.269993  0.790814  0.351833  1
  Fe  Fe56  1  0.603316  0.457661  0.351763  1
  Fe  Fe57  1  0.653715  0.819616  0.292821  1
  Fe  Fe58  1  0.936659  0.124140  0.351836  1
  Fe  Fe59  1  0.987050  0.486274  0.292824  1
  Fe  Fe60  1  0.961792  0.806818  0.321594  1
  Fe  Fe61  1  0.320390  0.152951  0.292818  1
  Fe  Fe62  1  0.295123  0.473486  0.321591  1
  Fe  Fe63  1  0.628459  0.140157  0.321592  1
  Fe  Fe64  1  0.135520  0.526374  0.305843  1
  Fe  Fe65  1  0.468859  0.193035  0.305842  1
  Fe  Fe66  1  0.448677  0.511807  0.340572  1
  Fe  Fe67  1  0.802190  0.859703  0.305842  1
  Fe  Fe68  1  0.782009  0.178474  0.340572  1
  Fe  Fe69  1  0.831553  0.539888  0.282884  1
  Fe  Fe70  1  0.115342  0.845141  0.340572  1
  Fe  Fe71  1  0.164878  0.206559  0.282884  1
  Fe  Fe72  1  0.498221  0.873219  0.282884  1
  Fe  Fe73  1  0.130429  0.638278  0.321511  1
  Fe  Fe74  1  0.463764  0.304946  0.321512  1
  Fe  Fe75  1  0.438813  0.624486  0.350374  1
  Fe  Fe76  1  0.797096  0.971611  0.321511  1
  Fe  Fe77  1  0.772140  0.291158  0.350376  1
  Fe  Fe78  1  0.819772  0.654882  0.291961  1
  Fe  Fe79  1  0.105479  0.957827  0.350372  1
  Fe  Fe80  1  0.153103  0.321544  0.291961  1
  Fe  Fe81  1  0.486442  0.988216  0.291961  1
  Fe  Fe82  1  0.280614  0.679034  0.341244  1
  Fe  Fe83  1  0.613910  0.345937  0.341434  1
  Fe  Fe84  1  0.662423  0.705906  0.283409  1
  Fe  Fe85  1  0.947278  0.012372  0.341247  1
  Fe  Fe86  1  0.995741  0.372569  0.283408  1
  Fe  Fe87  1  0.972008  0.691765  0.312373  1
  Fe  Fe88  1  0.329097  0.039236  0.283403  1
  Fe  Fe89  1  0.305339  0.358444  0.312378  1
  Fe  Fe90  1  0.638676  0.025109  0.312383  1
  Fe  Fe91  1  0.047740  0.507511  0.348628  1
  Fe  Fe92  1  0.381075  0.174178  0.348626  1
  Fe  Fe93  1  0.436799  0.533724  0.292289  1
  Fe  Fe94  1  0.714407  0.840843  0.348627  1
  Fe  Fe95  1  0.770136  0.200393  0.292290  1
  Fe  Fe96  1  0.736161  0.522798  0.320920  1
  Fe  Fe97  1  0.103466  0.867058  0.292289  1
  Fe  Fe98  1  0.069493  0.189468  0.320921  1
  Fe  Fe99  1  0.402828  0.856134  0.320922  1
  Fe  Fe100  1  0.256288  0.814021  0.303393  1
  Fe  Fe101  1  0.589613  0.480681  0.303395  1
  Fe  Fe102  1  0.560707  0.800445  0.332244  1
  Fe  Fe103  1  0.922944  0.147350  0.303397  1
  Fe  Fe104  1  0.894060  0.467163  0.332234  1
  Fe  Fe105  1  0.866182  0.785517  0.360378  1
  Fe  Fe106  1  0.227368  0.133815  0.332236  1
  Fe  Fe107  1  0.199553  0.452163  0.360375  1
  Fe  Fe108  1  0.532899  0.118822  0.360372  1
  Fe  Fe109  1  0.011954  0.713954  0.386504  1
  Fe  Fe110  1  0.345289  0.380622  0.386503  1
  Fe  Fe111  1  0.315758  0.697693  0.416734  1
  Fe  Fe112  1  0.678619  0.047289  0.386502  1
  Fe  Fe113  1  0.649051  0.364377  0.416697  1
  Fe  Fe114  1  0.619097  0.682680  0.446810  1
  Fe  Fe115  1  0.982389  0.031030  0.416727  1
  Fe  Fe116  1  0.952434  0.349346  0.446811  1
  Fe  Fe117  1  0.285760  0.016014  0.446810  1
  Fe  Fe118  1  0.122110  0.517152  0.444096  1
  Fe  Fe119  1  0.455444  0.183818  0.444097  1
  Fe  Fe120  1  0.518336  0.549068  0.384287  1
  Fe  Fe121  1  0.788777  0.850485  0.444096  1
  Fe  Fe122  1  0.851609  0.215746  0.384282  1
  Fe  Fe123  1  0.820654  0.533480  0.414344  1
  Fe  Fe124  1  0.184899  0.882414  0.384280  1
  Fe  Fe125  1  0.153993  0.200146  0.414345  1
  Fe  Fe126  1  0.487326  0.866813  0.414345  1
  Fe  Fe127  1  0.019105  0.688360  0.436554  1
  Fe  Fe128  1  0.352479  0.355036  0.436536  1
  Fe  Fe129  1  0.407040  0.719129  0.377250  1
  Fe  Fe130  1  0.685769  0.021693  0.436555  1
  Fe  Fe131  1  0.739498  0.385768  0.377300  1
  Fe  Fe132  1  0.715042  0.704306  0.406645  1
  Fe  Fe133  1  0.073730  0.052427  0.377311  1
  Fe  Fe134  1  0.048369  0.370974  0.406644  1
  Fe  Fe135  1  0.381709  0.037640  0.406645  1
  Fe  Fe136  1  0.215661  0.539080  0.403364  1
  Fe  Fe137  1  0.548994  0.205747  0.403364  1
  Fe  Fe138  1  0.519580  0.522963  0.433699  1
  Fe  Fe139  1  0.882326  0.872413  0.403364  1
  Fe  Fe140  1  0.852902  0.189632  0.433697  1
  Fe  Fe141  1  0.910383  0.553561  0.373440  1
  Fe  Fe142  1  0.186236  0.856298  0.433697  1
  Fe  Fe143  1  0.243716  0.220230  0.373441  1
  Fe  Fe144  1  0.577051  0.886894  0.373441  1
  Fe  Fe145  1  0.182291  0.658709  0.380316  1
  Fe  Fe146  1  0.515600  0.325337  0.380316  1
  Fe  Fe147  1  0.488470  0.643134  0.410947  1
  Fe  Fe148  1  0.848926  0.992027  0.380315  1
  Fe  Fe149  1  0.821803  0.309801  0.410948  1
  Fe  Fe150  1  0.794021  0.625310  0.442585  1
  Fe  Fe151  1  0.155141  0.976464  0.410952  1
  Fe  Fe152  1  0.127354  0.291978  0.442585  1
  Fe  Fe153  1  0.460687  0.958644  0.442585  1
  Fe  Fe154  1  0.954664  0.573880  0.448546  1
  Fe  Fe155  1  0.287997  0.240550  0.448549  1
  Fe  Fe156  1  0.344116  0.605567  0.388115  1
  Fe  Fe157  1  0.621331  0.907215  0.448547  1
  Fe  Fe158  1  0.677422  0.272276  0.388111  1
  Fe  Fe159  1  0.650144  0.590081  0.418742  1
  Fe  Fe160  1  0.010777  0.938910  0.388115  1
  Fe  Fe161  1  0.983475  0.256742  0.418737  1
  Fe  Fe162  1  0.316809  0.923402  0.418732  1
  Fe  Fe163  1  0.178593  0.743379  0.441887  1
  Fe  Fe164  1  0.511930  0.410043  0.441883  1
  Fe  Fe165  1  0.574819  0.775178  0.381330  1
  Fe  Fe166  1  0.845265  0.076711  0.441885  1
  Fe  Fe167  1  0.908136  0.441844  0.381321  1
  Fe  Fe168  1  0.877826  0.759408  0.411306  1
  Fe  Fe169  1  0.241494  0.108515  0.381327  1
  Fe  Fe170  1  0.211159  0.426075  0.411306  1
  Fe  Fe171  1  0.544493  0.092742  0.411306  1
  Fe  Fe172  1  0.056420  0.482476  0.397839  1
  Fe  Fe173  1  0.389756  0.149146  0.397838  1
  Fe  Fe174  1  0.359025  0.467333  0.427417  1
  Fe  Fe175  1  0.723086  0.815809  0.397840  1
  Fe  Fe176  1  0.692356  0.134003  0.427417  1
  Fe  Fe177  1  0.752488  0.499195  0.370488  1
  Fe  Fe178  1  0.025690  0.800668  0.427417  1
  Fe  Fe179  1  0.085849  0.165852  0.370487  1
  Fe  Fe180  1  0.419191  0.832521  0.370490  1
  Fe  Fe181  1  0.044337  0.595596  0.408452  1
  Fe  Fe182  1  0.377674  0.262268  0.408452  1
  Fe  Fe183  1  0.346884  0.579789  0.437598  1
  Fe  Fe184  1  0.711005  0.928929  0.408452  1
  Fe  Fe185  1  0.680189  0.246474  0.437610  1
  Fe  Fe186  1  0.741911  0.610846  0.379487  1
  Fe  Fe187  1  0.013523  0.913141  0.437610  1
  Fe  Fe188  1  0.075245  0.277514  0.379488  1
  Fe  Fe189  1  0.408581  0.944182  0.379487  1
  Fe  Fe190  1  0.188353  0.631512  0.431295  1
  Fe  Fe191  1  0.521683  0.298185  0.431293  1
  Fe  Fe192  1  0.585335  0.662544  0.371249  1
  Fe  Fe193  1  0.855024  0.964849  0.431294  1
  Fe  Fe194  1  0.918680  0.329194  0.371253  1
  Fe  Fe195  1  0.886406  0.646917  0.401103  1
  Fe  Fe196  1  0.252009  0.995869  0.371252  1
  Fe  Fe197  1  0.219738  0.313586  0.401103  1
  Fe  Fe198  1  0.553073  0.980252  0.401103  1
  Fe  Fe199  1  0.964055  0.461462  0.438215  1
  Fe  Fe200  1  0.297388  0.128132  0.438213  1
  Fe  Fe201  1  0.350795  0.493898  0.378234  1
  Fe  Fe202  1  0.630721  0.794797  0.438214  1
  Fe  Fe203  1  0.684124  0.160566  0.378233  1
  Fe  Fe204  1  0.655547  0.476913  0.408843  1
  Fe  Fe205  1  0.017458  0.827233  0.378233  1
  Fe  Fe206  1  0.988867  0.143561  0.408833  1
  Fe  Fe207  1  0.322202  0.810239  0.408833  1
  Fe  Fe208  1  0.171718  0.770334  0.390916  1
  Fe  Fe209  1  0.506855  0.435996  0.390742  1
  Fe  Fe210  1  0.477425  0.753688  0.421308  1
  Fe  Fe211  1  0.838353  0.103682  0.390918  1
  Fe  Fe212  1  0.810754  0.420355  0.421308  1
  Fe  Fe213  1  0.782611  0.737826  0.452741  1
  Fe  Fe214  1  0.144095  0.087019  0.421312  1
  Fe  Fe215  1  0.115945  0.404493  0.452740  1
  Fe  Fe216  1  0.449278  0.071161  0.452740  1
  Fe  Fe217  1  0.921681  0.666468  0.476786  1
  Fe  Fe218  1  0.255015  0.333135  0.476786  1
  Fe  Fe219  1  0.224653  0.650077  0.507156  1
  Fe  Fe220  1  0.588348  -0.000199  0.476786  1
  Fe  Fe221  1  0.557986  0.316743  0.507156  1
  Fe  Fe222  1  0.528740  0.634168  0.537701  1
  Fe  Fe223  1  0.891320  0.983410  0.507155  1
  Fe  Fe224  1  0.862074  0.300835  0.537702  1
  Fe  Fe225  1  0.195406  0.967501  0.537702  1
  Fe  Fe226  1  0.030687  0.468896  0.535207  1
  Fe  Fe227  1  0.364018  0.135563  0.535208  1
  Fe  Fe228  1  0.424733  0.501070  0.474152  1
  Fe  Fe229  1  0.697353  0.802229  0.535209  1
  Fe  Fe230  1  0.758066  0.167736  0.474152  1
  Fe  Fe231  1  0.727591  0.485232  0.504644  1
  Fe  Fe232  1  0.091399  0.834403  0.474152  1
  Fe  Fe233  1  0.060925  0.151899  0.504643  1
  Fe  Fe234  1  0.394257  0.818565  0.504643  1
  Fe  Fe235  1  0.928669  0.639483  0.527667  1
  Fe  Fe236  1  0.262003  0.306149  0.527667  1
  Fe  Fe237  1  0.322717  0.671655  0.466611  1
  Fe  Fe238  1  0.595336  0.972816  0.527666  1
  Fe  Fe239  1  0.656048  0.338322  0.466611  1
  Fe  Fe240  1  0.625809  0.655320  0.497175  1
  Fe  Fe241  1  0.989381  0.004989  0.466611  1
  Fe  Fe242  1  0.959142  0.321986  0.497175  1
  Fe  Fe243  1  0.292478  0.988653  0.497175  1
  Fe  Fe244  1  0.128748  0.490475  0.494663  1
  Fe  Fe245  1  0.462082  0.157142  0.494663  1
  Fe  Fe246  1  0.431720  0.474084  0.525033  1
  Fe  Fe247  1  0.795415  0.823808  0.494663  1
  Fe  Fe248  1  0.765053  0.140750  0.525033  1
  Fe  Fe249  1  0.824664  0.506384  0.464117  1
  Fe  Fe250  1  0.098387  0.807417  0.525033  1
  Fe  Fe251  1  0.157994  0.173051  0.464117  1
  Fe  Fe252  1  0.491329  0.839717  0.464117  1
  Fe  Fe253  1  0.097264  0.609455  0.472959  1
  Fe  Fe254  1  0.430597  0.276121  0.472959  1
  Fe  Fe255  1  0.400724  0.593126  0.503389  1
  Fe  Fe256  1  0.763930  0.942788  0.472959  1
  Fe  Fe257  1  0.734058  0.259792  0.503389  1
  Fe  Fe258  1  0.703388  0.577092  0.533930  1
  Fe  Fe259  1  0.067391  0.926459  0.503389  1
  Fe  Fe260  1  0.036721  0.243759  0.533930  1
  Fe  Fe261  1  0.370055  0.910425  0.533930  1
  Fe  Fe262  1  0.863516  0.525640  0.539827  1
  Fe  Fe263  1  0.196852  0.192303  0.539827  1
  Fe  Fe264  1  0.258735  0.557826  0.478704  1
  Fe  Fe265  1  0.530179  0.858976  0.539826  1
  Fe  Fe266  1  0.592069  0.224492  0.478704  1
  Fe  Fe267  1  0.561582  0.541780  0.509089  1
  Fe  Fe268  1  0.925402  0.891159  0.478704  1
  Fe  Fe269  1  0.894915  0.208446  0.509088  1
  Fe  Fe270  1  0.228248  0.875112  0.509088  1
  Fe  Fe271  1  0.085474  0.694966  0.533650  1
  Fe  Fe272  1  0.418808  0.361633  0.533650  1
  Fe  Fe273  1  0.480694  0.727378  0.472658  1
  Fe  Fe274  1  0.752141  0.028300  0.533650  1
  Fe  Fe275  1  0.814029  0.394045  0.472658  1
  Fe  Fe276  1  0.783148  0.711309  0.503253  1
  Fe  Fe277  1  0.147364  0.060715  0.472660  1
  Fe  Fe278  1  0.116481  0.377975  0.503253  1
  Fe  Fe279  1  0.449814  0.044641  0.503253  1
  Fe  Fe280  1  0.964581  0.434907  0.488251  1
  Fe  Fe281  1  0.297915  0.101574  0.488251  1
  Fe  Fe282  1  0.267269  0.418936  0.518402  1
  Fe  Fe283  1  0.631248  0.768240  0.488251  1
  Fe  Fe284  1  0.600602  0.085603  0.518401  1
  Fe  Fe285  1  0.662230  0.450798  0.458101  1
  Fe  Fe286  1  0.933936  0.752269  0.518401  1
  Fe  Fe287  1  0.995565  0.117465  0.458100  1
  Fe  Fe288  1  0.328897  0.784132  0.458101  1
  Fe  Fe289  1  0.952677  0.547426  0.498429  1
  Fe  Fe290  1  0.286010  0.214093  0.498429  1
  Fe  Fe291  1  0.256138  0.531097  0.528859  1
  Fe  Fe292  1  0.619344  0.880759  0.498429  1
  Fe  Fe293  1  0.589471  0.197764  0.528859  1
  Fe  Fe294  1  0.650011  0.563461  0.467889  1
  Fe  Fe295  1  0.922804  0.864430  0.528859  1
  Fe  Fe296  1  0.983347  0.230127  0.467888  1
  Fe  Fe297  1  0.316680  0.896793  0.467889  1
  Fe  Fe298  1  0.094667  0.582726  0.523115  1
  Fe  Fe299  1  0.428000  0.249393  0.523115  1
  Fe  Fe300  1  0.489883  0.614915  0.461991  1
  Fe  Fe301  1  0.761333  0.916059  0.523115  1
  Fe  Fe302  1  0.823218  0.281581  0.461991  1
  Fe  Fe303  1  0.791820  0.598773  0.492730  1
  Fe  Fe304  1  0.156554  0.948244  0.461992  1
  Fe  Fe305  1  0.125153  0.265440  0.492731  1
  Fe  Fe306  1  0.458487  0.932106  0.492731  1
  Fe  Fe307  1  0.872705  0.413171  0.529159  1
  Fe  Fe308  1  0.206041  0.079840  0.529160  1
  Fe  Fe309  1  0.267927  0.445585  0.468169  1
  Fe  Fe310  1  0.539369  0.746502  0.529158  1
  Fe  Fe311  1  0.601260  0.112252  0.468168  1
  Fe  Fe312  1  0.570254  0.429242  0.498566  1
  Fe  Fe313  1  0.934594  0.778919  0.468168  1
  Fe  Fe314  1  0.903587  0.095909  0.498566  1
  Fe  Fe315  1  0.236920  0.762577  0.498566  1
  Fe  Fe316  1  0.086133  0.721616  0.483417  1
  Fe  Fe317  1  0.419466  0.388283  0.483417  1
  Fe  Fe318  1  0.388820  0.705645  0.513568  1
  Fe  Fe319  1  0.752799  0.054949  0.483417  1
  Fe  Fe320  1  0.722154  0.372311  0.513568  1
  Fe  Fe321  1  0.691169  0.689754  0.543719  1
  Fe  Fe322  1  0.055487  0.038978  0.513567  1
  Fe  Fe323  1  0.024504  0.356420  0.543718  1
  Fe  Fe324  1  0.357838  0.023086  0.543718  1
  Fe  Fe325  1  0.833835  0.617586  0.568121  1
  Fe  Fe326  1  0.167166  0.284253  0.568121  1
  Fe  Fe327  1  0.137742  0.601472  0.598455  1
  Fe  Fe328  1  0.500499  0.950920  0.568121  1
  Fe  Fe329  1  0.471074  0.268138  0.598455  1
  Fe  Fe330  1  0.443019  0.586989  0.628377  1
  Fe  Fe331  1  0.804408  0.934805  0.598455  1
  Fe  Fe332  1  0.776351  0.253656  0.628378  1
  Fe  Fe333  1  0.109684  0.920326  0.628379  1
  Fe  Fe334  1  0.946332  0.421446  0.624531  1
  Fe  Fe335  1  0.279722  0.088085  0.624574  1
  Fe  Fe336  1  0.334299  0.452192  0.565263  1
  Fe  Fe337  1  0.613031  0.754799  0.624495  1
  Fe  Fe338  1  0.667629  0.118858  0.565265  1
  Fe  Fe339  1  0.638359  0.436246  0.595173  1
  Fe  Fe340  1  0.000966  0.785526  0.565263  1
  Fe  Fe341  1  0.971695  0.102912  0.595173  1
  Fe  Fe342  1  0.305029  0.769579  0.595174  1
  Fe  Fe343  1  0.835100  0.591473  0.617536  1
  Fe  Fe344  1  0.168476  0.258138  0.617537  1
  Fe  Fe345  1  0.231292  0.623400  0.557722  1
  Fe  Fe346  1  0.501842  0.924804  0.617539  1
  Fe  Fe347  1  0.564625  0.290067  0.557722  1
  Fe  Fe348  1  0.532742  0.607072  0.587473  1
  Fe  Fe349  1  0.897958  0.956733  0.557722  1
  Fe  Fe350  1  0.866075  0.273739  0.587473  1
  Fe  Fe351  1  0.199409  0.940405  0.587474  1
  Fe  Fe352  1  0.037662  0.442857  0.585087  1
  Fe  Fe353  1  0.370973  0.109525  0.585084  1
  Fe  Fe354  1  0.341449  0.426596  0.615316  1
  Fe  Fe355  1  0.704373  0.776188  0.585093  1
  Fe  Fe356  1  0.674780  0.093264  0.615314  1
  Fe  Fe357  1  0.734309  0.457872  0.555007  1
  Fe  Fe358  1  0.008116  0.759929  0.615316  1
  Fe  Fe359  1  0.067639  0.124537  0.555010  1
  Fe  Fe360  1  0.400975  0.791204  0.555009  1
  Fe  Fe361  1  0.006546  0.560744  0.564208  1
  Fe  Fe362  1  0.339880  0.227412  0.564208  1
  Fe  Fe363  1  0.309064  0.544956  0.593367  1
  Fe  Fe364  1  0.673210  0.894077  0.564209  1
  Fe  Fe365  1  0.642397  0.211621  0.593366  1
  Fe  Fe366  1  0.611490  0.529704  0.622331  1
  Fe  Fe367  1  0.975731  0.878289  0.593367  1
  Fe  Fe368  1  0.944823  0.196370  0.622331  1
  Fe  Fe369  1  0.278154  0.863036  0.622332  1
  Fe  Fe370  1  0.768061  0.478014  0.630567  1
  Fe  Fe371  1  0.101409  0.144671  0.630572  1
  Fe  Fe372  1  0.165044  0.509036  0.570525  1
  Fe  Fe373  1  0.434726  0.811351  0.630566  1
  Fe  Fe374  1  0.498384  0.175707  0.570523  1
  Fe  Fe375  1  0.466996  0.493633  0.600715  1
  Fe  Fe376  1  0.831712  0.842370  0.570525  1
  Fe  Fe377  1  0.800330  0.160299  0.600715  1
  Fe  Fe378  1  0.133662  0.826967  0.600715  1
  Fe  Fe379  1  0.002611  0.646653  0.623585  1
  Fe  Fe380  1  0.335944  0.313320  0.623585  1
  Fe  Fe381  1  0.389347  0.679087  0.563605  1
  Fe  Fe382  1  0.669277  0.979986  0.623585  1
  Fe  Fe383  1  0.722680  0.345754  0.563605  1
  Fe  Fe384  1  0.697867  0.663657  0.592986  1
  Fe  Fe385  1  0.056013  0.012423  0.563604  1
  Fe  Fe386  1  0.031201  0.330320  0.592987  1
  Fe  Fe387  1  0.364532  0.996976  0.592985  1
  Fe  Fe388  1  0.875973  0.386865  0.580508  1
  Fe  Fe389  1  0.209312  0.053530  0.580512  1
  Fe  Fe390  1  0.181708  0.370207  0.610901  1
  Fe  Fe391  1  0.542641  0.720200  0.580506  1
  Fe  Fe392  1  0.514999  0.036892  0.610903  1
  Fe  Fe393  1  0.570790  0.402725  0.549078  1
  Fe  Fe394  1  0.848383  0.703536  0.610900  1
  Fe  Fe395  1  0.904123  0.069392  0.549078  1
  Fe  Fe396  1  0.237457  0.736058  0.549078  1
  Fe  Fe397  1  0.864928  0.497420  0.590868  1
  Fe  Fe398  1  0.198265  0.164082  0.590873  1
  Fe  Fe399  1  0.171135  0.481854  0.621503  1
  Fe  Fe400  1  0.531595  0.830755  0.590866  1
  Fe  Fe401  1  0.504436  0.148506  0.621502  1
  Fe  Fe402  1  0.559381  0.515242  0.559234  1
  Fe  Fe403  1  0.837808  0.815192  0.621503  1
  Fe  Fe404  1  0.892715  0.181908  0.559233  1
  Fe  Fe405  1  0.226048  0.848575  0.559234  1
  Fe  Fe406  1  0.009291  0.534977  0.613704  1
  Fe  Fe407  1  0.342619  0.201652  0.613703  1
  Fe  Fe408  1  0.398738  0.566668  0.553270  1
  Fe  Fe409  1  0.675958  0.868309  0.613704  1
  Fe  Fe410  1  0.732071  0.233335  0.553270  1
  Fe  Fe411  1  0.703258  0.550472  0.583076  1
  Fe  Fe412  1  0.065404  0.900005  0.553273  1
  Fe  Fe413  1  0.036593  0.217146  0.583084  1
  Fe  Fe414  1  0.369926  0.883817  0.583087  1
  Fe  Fe415  1  0.778600  0.365387  0.620501  1
  Fe  Fe416  1  0.111963  0.032070  0.620502  1
  Fe  Fe417  1  0.174803  0.397174  0.559934  1
  Fe  Fe418  1  0.445235  0.698702  0.620488  1
  Fe  Fe419  1  0.508144  0.063839  0.559931  1
  Fe  Fe420  1  0.475575  0.381144  0.590512  1
  Fe  Fe421  1  0.841471  0.730508  0.559934  1
  Fe  Fe422  1  0.808909  0.047811  0.590513  1
  Fe  Fe423  1  0.142242  0.714477  0.590512  1
  Fe  Fe424  1  0.994378  0.673216  0.574401  1
  Fe  Fe425  1  0.327711  0.339882  0.574401  1
  Fe  Fe426  1  0.296983  0.658076  0.603979  1
  Fe  Fe427  1  0.661045  0.006551  0.574401  1
  Fe  Fe428  1  0.630314  0.324740  0.603980  1
  Fe  Fe429  1  0.600899  0.641360  0.631331  1
  Fe  Fe430  1  0.963650  0.991410  0.603979  1
  Fe  Fe431  1  0.934217  0.308033  0.631331  1
  Fe  Fe432  1  0.267544  0.974694  0.631327  1
  Fe  Fe433  1  0.749188  0.571211  0.657599  1
  Fe  Fe434  1  0.082522  0.237877  0.657599  1
  Fe  Fe435  1  0.052148  0.555831  0.688888  1
  Fe  Fe436  1  0.415854  0.904544  0.657598  1
  Fe  Fe437  1  0.385481  0.222498  0.688888  1
  Fe  Fe438  1  0.359399  0.541466  0.718256  1
  Fe  Fe439  1  0.718814  0.889164  0.688888  1
  Fe  Fe440  1  0.692732  0.208133  0.718256  1
  Fe  Fe441  1  0.026065  0.874801  0.718255  1
  Fe  Fe442  1  0.865309  0.385298  0.715440  1
  Fe  Fe443  1  0.198623  0.051967  0.715438  1
  Fe  Fe444  1  0.254120  0.405863  0.654883  1
  Fe  Fe445  1  0.531971  0.718631  0.715441  1
  Fe  Fe446  1  0.587422  0.072533  0.654875  1
  Fe  Fe447  1  0.561643  0.389980  0.685302  1
  Fe  Fe448  1  0.920795  0.739195  0.654885  1
  Fe  Fe449  1  0.895027  0.056649  0.685296  1
  Fe  Fe450  1  0.228308  0.723315  0.685299  1
  Fe  Fe451  1  0.759516  0.545617  0.709541  1
  Fe  Fe452  1  0.092853  0.212277  0.709542  1
  Fe  Fe453  1  0.141430  0.577227  0.648147  1
  Fe  Fe454  1  0.426181  0.878954  0.709541  1
  Fe  Fe455  1  0.474763  0.243893  0.648147  1
  Fe  Fe456  1  0.449467  0.560996  0.678274  1
  Fe  Fe457  1  0.808096  0.910561  0.648147  1
  Fe  Fe458  1  0.782801  0.227666  0.678275  1
  Fe  Fe459  1  0.116133  0.894342  0.678278  1
  Fe  Fe460  1  0.948041  0.395298  0.673180  1
  Fe  Fe461  1  0.281285  0.061960  0.673190  1
  Fe  Fe462  1  0.247968  0.395772  0.705518  1
  Fe  Fe463  1  0.614699  0.728633  0.673177  1
  Fe  Fe464  1  0.581301  0.062438  0.705517  1
  Fe  Fe465  1  0.644209  0.411739  0.644453  1
  Fe  Fe466  1  0.914635  0.729105  0.705519  1
  Fe  Fe467  1  0.977551  0.078405  0.644453  1
  Fe  Fe468  1  0.310870  0.745072  0.644454  1
  Fe  Fe469  1  0.914592  0.516062  0.651446  1
  Fe  Fe470  1  0.247920  0.182731  0.651445  1
  Fe  Fe471  1  0.222971  0.502274  0.680307  1
  Fe  Fe472  1  0.581254  0.849390  0.651446  1
  Fe  Fe473  1  0.556305  0.168940  0.680307  1
  Fe  Fe474  1  0.533627  0.485669  0.709857  1
  Fe  Fe475  1  0.889639  0.835607  0.680307  1
  Fe  Fe476  1  0.866963  0.152338  0.709858  1
  Fe  Fe477  1  0.200292  0.819002  0.709858  1
  Fe  Fe478  1  0.690974  0.434647  0.718412  1
  Fe  Fe479  1  0.024312  0.101314  0.718410  1
  Fe  Fe480  1  0.072789  0.461515  0.660573  1
  Fe  Fe481  1  0.357638  0.767984  0.718416  1
  Fe  Fe482  1  0.406119  0.128185  0.660574  1
  Fe  Fe483  1  0.381393  0.448777  0.689439  1
  Fe  Fe484  1  0.739457  0.794848  0.660573  1
  Fe  Fe485  1  0.714727  0.115452  0.689446  1
  Fe  Fe486  1  0.048057  0.782112  0.689437  1
  Fe  Fe487  1  0.916602  0.606827  0.709529  1
  Fe  Fe488  1  0.249935  0.273494  0.709529  1
  Fe  Fe489  1  0.305660  0.633041  0.653193  1
  Fe  Fe490  1  0.583269  0.940160  0.709529  1
  Fe  Fe491  1  0.638994  0.299708  0.653192  1
  Fe  Fe492  1  0.617241  0.617753  0.680897  1
  Fe  Fe493  1  0.972328  0.966376  0.653191  1
  Fe  Fe494  1  0.950575  0.284418  0.680898  1
  Fe  Fe495  1  0.283907  0.951081  0.680896  1
  Fe  Fe496  1  0.792668  0.340035  0.669593  1
  Fe  Fe497  1  0.126025  0.006783  0.669574  1
  Fe  Fe498  1  0.097121  0.326533  0.698423  1
  Fe  Fe499  1  0.459360  0.673397  0.669586  1
  Fe  Fe500  1  0.430446  0.993196  0.698425  1
  Fe  Fe501  1  0.487186  0.355053  0.641445  1
  Fe  Fe502  1  0.763789  0.659869  0.698422  1
  Fe  Fe503  1  0.820553  0.021701  0.641441  1
  Fe  Fe504  1  0.153842  0.688394  0.641446  1
  Fe  Fe505  1  0.781981  0.454780  0.678344  1
  Fe  Fe506  1  0.115345  0.121429  0.678325  1
  Fe  Fe507  1  0.085254  0.437511  0.709135  1
  Fe  Fe508  1  0.448594  0.788145  0.678370  1
  Fe  Fe509  1  0.418586  0.104184  0.709138  1
  Fe  Fe510  1  0.477127  0.467153  0.651467  1
  Fe  Fe511  1  0.751925  0.770846  0.709135  1
  Fe  Fe512  1  0.810459  0.133821  0.651467  1
  Fe  Fe513  1  0.143794  0.800487  0.651467  1
  Fe  Fe514  1  0.927789  0.489489  0.699473  1
  Fe  Fe515  1  0.261117  0.156162  0.699472  1
  Fe  Fe516  1  0.320201  0.520743  0.643056  1
  Fe  Fe517  1  0.594455  0.822823  0.699473  1
  Fe  Fe518  1  0.653534  0.187410  0.643056  1
  Fe  Fe519  1  0.625827  0.506035  0.671621  1
  Fe  Fe520  1  0.986868  0.854078  0.643057  1
  Fe  Fe521  1  0.959162  0.172699  0.671619  1
  Fe  Fe522  1  0.292492  0.839371  0.671622  1
  Fe  Fe523  1  0.699681  0.320932  0.709001  1
  Fe  Fe524  1  0.033021  0.987605  0.708996  1
  Fe  Fe525  1  0.083408  0.349742  0.649984  1
  Fe  Fe526  1  0.366343  0.654269  0.709001  1
  Fe  Fe527  1  0.416740  0.016402  0.649986  1
  Fe  Fe528  1  0.391610  0.333730  0.680226  1
  Fe  Fe529  1  0.750075  0.683075  0.649983  1
  Fe  Fe530  1  0.724943  0.000401  0.680225  1
  Fe  Fe531  1  0.058275  0.667061  0.680226  1
  Fe  Fe532  1  0.904726  0.628744  0.661246  1
  Fe  Fe533  1  0.238059  0.295411  0.661246  1
  Fe  Fe534  1  0.217876  0.614184  0.695976  1
  Fe  Fe535  1  0.571392  0.962077  0.661246  1
  Fe  Fe536  1  0.551210  0.280850  0.695977  1
  Fe  Fe537  1  0.521848  0.600664  0.718935  1
  Fe  Fe538  1  0.884546  0.947514  0.695976  1
  Fe  Fe539  1  0.855183  0.267329  0.718934  1
  Fe  Fe540  1  0.188513  0.934000  0.718934  1
  C  C541  1  0.201025  0.744740  0.323283  1
  C  C542  1  0.534372  0.411388  0.323286  1
  C  C543  1  0.506051  0.732427  0.353226  1
  C  C544  1  0.867686  0.078072  0.323286  1
  C  C545  1  0.839473  0.399146  0.353210  1
  C  C546  1  0.896517  0.759494  0.294075  1
  C  C547  1  0.172879  0.065823  0.353185  1
  C  C548  1  0.229858  0.426158  0.294077  1
  C  C549  1  0.563165  0.092827  0.294077  1
  C  C550  1  0.031166  0.579161  0.321853  1
  C  C551  1  0.364502  0.245831  0.321853  1
  C  C552  1  0.338844  0.565354  0.351210  1
  C  C553  1  0.697834  0.912492  0.321853  1
  C  C554  1  0.672175  0.232027  0.351211  1
  C  C555  1  0.721378  0.593297  0.293517  1
  C  C556  1  0.005509  0.898690  0.351211  1
  C  C557  1  0.054698  0.259973  0.293521  1
  C  C558  1  0.388051  0.926625  0.293514  1
  C  C559  1  0.361191  0.762956  0.290958  1
  C  C560  1  0.694529  0.429617  0.290960  1
  C  C561  1  0.665068  0.748338  0.319889  1
  C  C562  1  0.027864  0.096282  0.290964  1
  C  C563  1  0.998409  0.415006  0.319890  1
  C  C564  1  0.972812  0.735290  0.348606  1
  C  C565  1  0.331752  0.081660  0.319887  1
  C  C566  1  0.306136  0.401964  0.348606  1
  C  C567  1  0.639477  0.068630  0.348606  1
  C  C568  1  0.196040  0.598628  0.290128  1
  C  C569  1  0.529374  0.265295  0.290129  1
  C  C570  1  0.503232  0.580150  0.319797  1
  C  C571  1  0.862707  0.931961  0.290128  1
  C  C572  1  0.836564  0.246821  0.319799  1
  C  C573  1  0.808011  0.566427  0.349306  1
  C  C574  1  0.169898  0.913482  0.319797  1
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