# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.28475405
_cell_length_b   21.70895446
_cell_length_c   47.24794476
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.81738002
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe504 C168'
_cell_volume   13018.0533368
_cell_formula_units_Z   168
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  0.514369  0.666734  0.330326  1
  Fe  Fe2  1  0.014369  0.666734  0.330326  1
  Fe  Fe3  1  0.590293  0.014295  0.307607  1
  Fe  Fe4  1  0.674698  0.348899  0.282202  1
  Fe  Fe5  1  0.090293  0.014295  0.307607  1
  Fe  Fe6  1  0.174698  0.348899  0.282202  1
  Fe  Fe7  1  0.811503  0.505110  0.314622  1
  Fe  Fe8  1  0.311503  0.505110  0.314622  1
  Fe  Fe9  1  0.881863  0.858875  0.291780  1
  Fe  Fe10  1  0.952960  0.206203  0.270397  1
  Fe  Fe11  1  0.381863  0.858875  0.291780  1
  Fe  Fe12  1  0.452960  0.206203  0.270397  1
  Fe  Fe13  1  0.669157  0.681799  0.306673  1
  Fe  Fe14  1  0.169157  0.681799  0.306673  1
  Fe  Fe15  1  0.746436  0.018118  0.282503  1
  Fe  Fe16  1  0.600969  0.330251  0.328717  1
  Fe  Fe17  1  0.246436  0.018118  0.282503  1
  Fe  Fe18  1  0.100969  0.330251  0.328717  1
  Fe  Fe19  1  0.963977  0.524045  0.292160  1
  Fe  Fe20  1  0.463977  0.524045  0.292160  1
  Fe  Fe21  1  0.038882  0.872920  0.269369  1
  Fe  Fe22  1  0.892753  0.173074  0.315816  1
  Fe  Fe23  1  0.538882  0.872920  0.269369  1
  Fe  Fe24  1  0.392753  0.173074  0.315816  1
  Fe  Fe25  1  0.934533  0.643097  0.276848  1
  Fe  Fe26  1  0.434533  0.643097  0.276848  1
  Fe  Fe27  1  0.796510  0.943129  0.322226  1
  Fe  Fe28  1  0.867332  0.291048  0.300715  1
  Fe  Fe29  1  0.296510  0.943129  0.322226  1
  Fe  Fe30  1  0.367332  0.291048  0.300715  1
  Fe  Fe31  1  0.597431  0.573966  0.303480  1
  Fe  Fe32  1  0.097431  0.573966  0.303480  1
  Fe  Fe33  1  0.672179  0.923325  0.280887  1
  Fe  Fe34  1  0.539005  0.225680  0.323170  1
  Fe  Fe35  1  0.172179  0.923325  0.280887  1
  Fe  Fe36  1  0.039005  0.225680  0.323170  1
  Fe  Fe37  1  0.034964  0.764167  0.270542  1
  Fe  Fe38  1  0.534964  0.764167  0.270542  1
  Fe  Fe39  1  0.891171  0.067891  0.315276  1
  Fe  Fe40  1  0.978856  0.415481  0.292767  1
  Fe  Fe41  1  0.391171  0.067891  0.315276  1
  Fe  Fe42  1  0.478856  0.415481  0.292767  1
  Fe  Fe43  1  0.597568  0.438275  0.327070  1
  Fe  Fe44  1  0.097568  0.438275  0.327070  1
  Fe  Fe45  1  0.668483  0.790384  0.299708  1
  Fe  Fe46  1  0.740091  0.137202  0.283635  1
  Fe  Fe47  1  0.168483  0.790384  0.299708  1
  Fe  Fe48  1  0.240091  0.137202  0.283635  1
  Fe  Fe49  1  0.757943  0.589305  0.282752  1
  Fe  Fe50  1  0.257943  0.589305  0.282752  1
  Fe  Fe51  1  0.620484  0.889927  0.324467  1
  Fe  Fe52  1  0.688934  0.242680  0.300776  1
  Fe  Fe53  1  0.120484  0.889927  0.324467  1
  Fe  Fe54  1  0.188934  0.242680  0.300776  1
  Fe  Fe55  1  0.882077  0.613264  0.321634  1
  Fe  Fe56  1  0.382077  0.613264  0.321634  1
  Fe  Fe57  1  0.956373  0.963440  0.299116  1
  Fe  Fe58  1  0.018986  0.307446  0.276486  1
  Fe  Fe59  1  0.456373  0.963440  0.299116  1
  Fe  Fe60  1  0.518986  0.307446  0.276486  1
  Fe  Fe61  1  0.675319  0.468122  0.285772  1
  Fe  Fe62  1  0.175319  0.468122  0.285772  1
  Fe  Fe63  1  0.530662  0.770127  0.329025  1
  Fe  Fe64  1  0.590627  0.118387  0.307992  1
  Fe  Fe65  1  0.030662  0.770127  0.329025  1
  Fe  Fe66  1  0.090627  0.118387  0.307992  1
  Fe  Fe67  1  0.885596  0.747861  0.296384  1
  Fe  Fe68  1  0.385596  0.747861  0.296384  1
  Fe  Fe69  1  0.957426  0.096729  0.273188  1
  Fe  Fe70  1  0.815772  0.398612  0.316421  1
  Fe  Fe71  1  0.457426  0.096729  0.273188  1
  Fe  Fe72  1  0.315772  0.398612  0.316421  1
  Fe  Fe73  1  0.302244  0.611464  0.395599  1
  Fe  Fe74  1  0.802244  0.611464  0.395599  1
  Fe  Fe75  1  0.375444  0.961377  0.372938  1
  Fe  Fe76  1  0.445927  0.313717  0.350510  1
  Fe  Fe77  1  0.875444  0.961377  0.372938  1
  Fe  Fe78  1  0.945927  0.313717  0.350510  1
  Fe  Fe79  1  0.595721  0.454434  0.381632  1
  Fe  Fe80  1  0.095721  0.454434  0.381632  1
  Fe  Fe81  1  0.668006  0.804713  0.359314  1
  Fe  Fe82  1  0.738900  0.155207  0.337682  1
  Fe  Fe83  1  0.168006  0.804713  0.359314  1
  Fe  Fe84  1  0.238900  0.155207  0.337682  1
  Fe  Fe85  1  0.457053  0.629478  0.373532  1
  Fe  Fe86  1  0.957053  0.629478  0.373532  1
  Fe  Fe87  1  0.530866  0.979077  0.351138  1
  Fe  Fe88  1  0.385905  0.278455  0.395375  1
  Fe  Fe89  1  0.030866  0.979077  0.351138  1
  Fe  Fe90  1  0.885905  0.278455  0.395375  1
  Fe  Fe91  1  0.751333  0.472158  0.359808  1
  Fe  Fe92  1  0.251333  0.472158  0.359808  1
  Fe  Fe93  1  0.825424  0.821061  0.337722  1
  Fe  Fe94  1  0.678152  0.121449  0.382300  1
  Fe  Fe95  1  0.325424  0.821061  0.337722  1
  Fe  Fe96  1  0.178152  0.121449  0.382300  1
  Fe  Fe97  1  0.721048  0.595118  0.342887  1
  Fe  Fe98  1  0.221048  0.595118  0.342887  1
  Fe  Fe99  1  0.579760  0.891297  0.388376  1
  Fe  Fe100  1  0.650382  0.241636  0.365981  1
  Fe  Fe101  1  0.079760  0.891297  0.388376  1
  Fe  Fe102  1  0.150382  0.241636  0.365981  1
  Fe  Fe103  1  0.394250  0.524847  0.367319  1
  Fe  Fe104  1  0.894250  0.524847  0.367319  1
  Fe  Fe105  1  0.467154  0.874730  0.344606  1
  Fe  Fe106  1  0.322737  0.174811  0.390358  1
  Fe  Fe107  1  0.967154  0.874730  0.344606  1
  Fe  Fe108  1  0.822737  0.174811  0.390358  1
  Fe  Fe109  1  0.808499  0.717439  0.336653  1
  Fe  Fe110  1  0.308499  0.717439  0.336653  1
  Fe  Fe111  1  0.680343  0.014926  0.381183  1
  Fe  Fe112  1  0.747767  0.366002  0.358750  1
  Fe  Fe113  1  0.180343  0.014926  0.381183  1
  Fe  Fe114  1  0.247767  0.366002  0.358750  1
  Fe  Fe115  1  0.381246  0.386350  0.394318  1
  Fe  Fe116  1  0.881246  0.386350  0.394318  1
  Fe  Fe117  1  0.453835  0.736786  0.372138  1
  Fe  Fe118  1  0.525403  0.086139  0.351494  1
  Fe  Fe119  1  0.953835  0.736786  0.372138  1
  Fe  Fe120  1  0.025403  0.086139  0.351494  1
  Fe  Fe121  1  0.548072  0.540335  0.346554  1
  Fe  Fe122  1  0.048072  0.540335  0.346554  1
  Fe  Fe123  1  0.402532  0.842252  0.388922  1
  Fe  Fe124  1  0.473953  0.192858  0.366634  1
  Fe  Fe125  1  0.902532  0.842252  0.388922  1
  Fe  Fe126  1  0.973953  0.192858  0.366634  1
  Fe  Fe127  1  0.661306  0.559041  0.387655  1
  Fe  Fe128  1  0.161306  0.559041  0.387655  1
  Fe  Fe129  1  0.731597  0.908632  0.365592  1
  Fe  Fe130  1  0.800971  0.259291  0.343075  1
  Fe  Fe131  1  0.231597  0.908632  0.365592  1
  Fe  Fe132  1  0.300971  0.259291  0.343075  1
  Fe  Fe133  1  0.451265  0.420500  0.351227  1
  Fe  Fe134  1  0.951265  0.420500  0.351227  1
  Fe  Fe135  1  0.305542  0.717882  0.396676  1
  Fe  Fe136  1  0.373912  0.068553  0.374339  1
  Fe  Fe137  1  0.805542  0.717882  0.396676  1
  Fe  Fe138  1  0.873912  0.068553  0.374339  1
  Fe  Fe139  1  0.671723  0.697339  0.362540  1
  Fe  Fe140  1  0.171723  0.697339  0.362540  1
  Fe  Fe141  1  0.743454  0.048045  0.335877  1
  Fe  Fe142  1  0.599610  0.347692  0.382284  1
  Fe  Fe143  1  0.243454  0.048045  0.335877  1
  Fe  Fe144  1  0.099610  0.347692  0.382284  1
  Fe  Fe145  1  0.086413  0.560019  0.461925  1
  Fe  Fe146  1  0.586413  0.560019  0.461925  1
  Fe  Fe147  1  0.158488  0.910638  0.439766  1
  Fe  Fe148  1  0.229801  0.261608  0.417509  1
  Fe  Fe149  1  0.658488  0.910638  0.439766  1
  Fe  Fe150  1  0.729801  0.261608  0.417509  1
  Fe  Fe151  1  0.378704  0.403518  0.448426  1
  Fe  Fe152  1  0.878704  0.403518  0.448426  1
  Fe  Fe153  1  0.450912  0.754075  0.426403  1
  Fe  Fe154  1  0.522783  0.104614  0.404433  1
  Fe  Fe155  1  0.950912  0.754075  0.426403  1
  Fe  Fe156  1  0.022783  0.104614  0.404433  1
  Fe  Fe157  1  0.242538  0.577160  0.439909  1
  Fe  Fe158  1  0.742538  0.577160  0.439909  1
  Fe  Fe159  1  0.315082  0.927429  0.417726  1
  Fe  Fe160  1  0.169948  0.226712  0.462055  1
  Fe  Fe161  1  0.815082  0.927429  0.417726  1
  Fe  Fe162  1  0.669948  0.226712  0.462055  1
  Fe  Fe163  1  0.534409  0.420544  0.426442  1
  Fe  Fe164  1  0.034409  0.420544  0.426442  1
  Fe  Fe165  1  0.606057  0.771551  0.404480  1
  Fe  Fe166  1  0.462497  0.069902  0.448969  1
  Fe  Fe167  1  0.106057  0.771551  0.404480  1
  Fe  Fe168  1  0.962497  0.069902  0.448969  1
  Fe  Fe169  1  0.506902  0.541341  0.410190  1
  Fe  Fe170  1  0.006902  0.541341  0.410190  1
  Fe  Fe171  1  0.363053  0.839371  0.455320  1
  Fe  Fe172  1  0.434640  0.189979  0.432931  1
  Fe  Fe173  1  0.863053  0.839371  0.455320  1
  Fe  Fe174  1  0.934640  0.189979  0.432931  1
  Fe  Fe175  1  0.179817  0.473378  0.434377  1
  Fe  Fe176  1  0.679817  0.473378  0.434377  1
  Fe  Fe177  1  0.251857  0.824062  0.412255  1
  Fe  Fe178  1  0.107370  0.123083  0.456831  1
  Fe  Fe179  1  0.751857  0.824062  0.412255  1
  Fe  Fe180  1  0.607370  0.123083  0.456831  1
  Fe  Fe181  1  0.602947  0.665163  0.403525  1
  Fe  Fe182  1  0.102947  0.665163  0.403525  1
  Fe  Fe183  1  0.461948  0.963395  0.447663  1
  Fe  Fe184  1  0.532711  0.314055  0.425172  1
  Fe  Fe185  1  0.961948  0.963395  0.447663  1
  Fe  Fe186  1  0.032711  0.314055  0.425172  1
  Fe  Fe187  1  0.165008  0.334287  0.461735  1
  Fe  Fe188  1  0.665008  0.334287  0.461735  1
  Fe  Fe189  1  0.237625  0.684600  0.439630  1
  Fe  Fe190  1  0.309573  0.034911  0.417722  1
  Fe  Fe191  1  0.737625  0.684600  0.439630  1
  Fe  Fe192  1  0.809573  0.034911  0.417722  1
  Fe  Fe193  1  0.330692  0.491577  0.411227  1
  Fe  Fe194  1  0.830692  0.491577  0.411227  1
  Fe  Fe195  1  0.186212  0.790739  0.455700  1
  Fe  Fe196  1  0.258209  0.141142  0.433525  1
  Fe  Fe197  1  0.686212  0.790739  0.455700  1
  Fe  Fe198  1  0.758209  0.141142  0.433525  1
  Fe  Fe199  1  0.442142  0.506962  0.454064  1
  Fe  Fe200  1  0.942142  0.506962  0.454064  1
  Fe  Fe201  1  0.513305  0.857698  0.431917  1
  Fe  Fe202  1  0.584874  0.208278  0.409475  1
  Fe  Fe203  1  0.013305  0.857698  0.431917  1
  Fe  Fe204  1  0.084874  0.208278  0.409475  1
  Fe  Fe205  1  0.232353  0.367975  0.418614  1
  Fe  Fe206  1  0.732353  0.367975  0.418614  1
  Fe  Fe207  1  0.087788  0.666720  0.463122  1
  Fe  Fe208  1  0.159116  0.017336  0.441106  1
  Fe  Fe209  1  0.587788  0.666720  0.463122  1
  Fe  Fe210  1  0.659116  0.017336  0.441106  1
  Fe  Fe211  1  0.456021  0.646327  0.427173  1
  Fe  Fe212  1  0.956021  0.646327  0.427173  1
  Fe  Fe213  1  0.528085  0.997066  0.404296  1
  Fe  Fe214  1  0.383746  0.296001  0.448880  1
  Fe  Fe215  1  0.028085  0.997066  0.404296  1
  Fe  Fe216  1  0.883746  0.296001  0.448880  1
  Fe  Fe217  1  0.870112  0.508342  0.528464  1
  Fe  Fe218  1  0.370112  0.508342  0.528464  1
  Fe  Fe219  1  0.942214  0.859034  0.506399  1
  Fe  Fe220  1  0.014242  0.209792  0.484028  1
  Fe  Fe221  1  0.442214  0.859034  0.506399  1
  Fe  Fe222  1  0.514242  0.209792  0.484028  1
  Fe  Fe223  1  0.162422  0.351989  0.515257  1
  Fe  Fe224  1  0.662422  0.351989  0.515257  1
  Fe  Fe225  1  0.234546  0.702465  0.493188  1
  Fe  Fe226  1  0.306701  0.052933  0.471006  1
  Fe  Fe227  1  0.734546  0.702465  0.493188  1
  Fe  Fe228  1  0.806701  0.052933  0.471006  1
  Fe  Fe229  1  0.026212  0.525524  0.506540  1
  Fe  Fe230  1  0.526212  0.525524  0.506540  1
  Fe  Fe231  1  0.098336  0.876000  0.484470  1
  Fe  Fe232  1  0.954057  0.175056  0.528721  1
  Fe  Fe233  1  0.598336  0.876000  0.484470  1
  Fe  Fe234  1  0.454057  0.175056  0.528721  1
  Fe  Fe235  1  0.318544  0.368955  0.493328  1
  Fe  Fe236  1  0.818544  0.368955  0.493328  1
  Fe  Fe237  1  0.390646  0.719646  0.471264  1
  Fe  Fe238  1  0.246517  0.018196  0.515700  1
  Fe  Fe239  1  0.890646  0.719646  0.471264  1
  Fe  Fe240  1  0.746517  0.018196  0.515700  1
  Fe  Fe241  1  0.290835  0.488951  0.477287  1
  Fe  Fe242  1  0.790835  0.488951  0.477287  1
  Fe  Fe243  1  0.146740  0.787784  0.521993  1
  Fe  Fe244  1  0.218787  0.138394  0.499571  1
  Fe  Fe245  1  0.646740  0.787784  0.521993  1
  Fe  Fe246  1  0.718787  0.138394  0.499571  1
  Fe  Fe247  1  0.964085  0.421863  0.500997  1
  Fe  Fe248  1  0.464085  0.421863  0.500997  1
  Fe  Fe249  1  0.035705  0.772555  0.479000  1
  Fe  Fe250  1  0.891553  0.071447  0.523458  1
  Fe  Fe251  1  0.535705  0.772555  0.479000  1
  Fe  Fe252  1  0.391553  0.071447  0.523458  1
  Fe  Fe253  1  0.389348  0.613098  0.469962  1
  Fe  Fe254  1  0.889348  0.613098  0.469962  1
  Fe  Fe255  1  0.245520  0.911736  0.514452  1
  Fe  Fe256  1  0.317560  0.262416  0.492020  1
  Fe  Fe257  1  0.745520  0.911736  0.514452  1
  Fe  Fe258  1  0.817560  0.262416  0.492020  1
  Fe  Fe259  1  0.948893  0.282553  0.528553  1
  Fe  Fe260  1  0.448893  0.282553  0.528553  1
  Fe  Fe261  1  0.021060  0.633056  0.506309  1
  Fe  Fe262  1  0.093152  0.983530  0.484294  1
  Fe  Fe263  1  0.521060  0.633056  0.506309  1
  Fe  Fe264  1  0.593152  0.983530  0.484294  1
  Fe  Fe265  1  0.114019  0.440204  0.477735  1
  Fe  Fe266  1  0.614019  0.440204  0.477735  1
  Fe  Fe267  1  0.969923  0.739038  0.522440  1
  Fe  Fe268  1  0.041971  0.089594  0.500157  1
  Fe  Fe269  1  0.469923  0.739038  0.522440  1
  Fe  Fe270  1  0.541971  0.089594  0.500157  1
  Fe  Fe271  1  0.225054  0.455433  0.520727  1
  Fe  Fe272  1  0.725054  0.455433  0.520727  1
  Fe  Fe273  1  0.296674  0.806125  0.498730  1
  Fe  Fe274  1  0.369206  0.156541  0.476269  1
  Fe  Fe275  1  0.796674  0.806125  0.498730  1
  Fe  Fe276  1  0.869206  0.156541  0.476269  1
  Fe  Fe277  1  0.015238  0.316253  0.485275  1
  Fe  Fe278  1  0.515238  0.316253  0.485275  1
  Fe  Fe279  1  0.871411  0.614891  0.529765  1
  Fe  Fe280  1  0.943198  0.965573  0.507707  1
  Fe  Fe281  1  0.371411  0.614891  0.529765  1
  Fe  Fe282  1  0.443198  0.965573  0.507707  1
  Fe  Fe283  1  0.239698  0.594933  0.493418  1
  Fe  Fe284  1  0.739698  0.594933  0.493418  1
  Fe  Fe285  1  0.311866  0.945436  0.471175  1
  Fe  Fe286  1  0.167607  0.244459  0.515434  1
  Fe  Fe287  1  0.811866  0.945436  0.471175  1
  Fe  Fe288  1  0.667607  0.244459  0.515434  1
  Fe  Fe289  1  0.654701  0.456438  0.595248  1
  Fe  Fe290  1  0.154701  0.456438  0.595248  1
  Fe  Fe291  1  0.726350  0.807445  0.573285  1
  Fe  Fe292  1  0.798262  0.158087  0.550758  1
  Fe  Fe293  1  0.226350  0.807445  0.573285  1
  Fe  Fe294  1  0.298262  0.158087  0.550758  1
  Fe  Fe295  1  0.945677  0.300560  0.582001  1
  Fe  Fe296  1  0.445677  0.300560  0.582001  1
  Fe  Fe297  1  0.018221  0.650828  0.559819  1
  Fe  Fe298  1  0.090810  0.001276  0.537673  1
  Fe  Fe299  1  0.518221  0.650828  0.559819  1
  Fe  Fe300  1  0.590810  0.001276  0.537673  1
  Fe  Fe301  1  0.809846  0.473913  0.573324  1
  Fe  Fe302  1  0.309846  0.473913  0.573324  1
  Fe  Fe303  1  0.882055  0.824470  0.551302  1
  Fe  Fe304  1  0.737975  0.123375  0.595295  1
  Fe  Fe305  1  0.382055  0.824470  0.551302  1
  Fe  Fe306  1  0.237975  0.123375  0.595295  1
  Fe  Fe307  1  0.102270  0.317350  0.559962  1
  Fe  Fe308  1  0.602270  0.317350  0.559962  1
  Fe  Fe309  1  0.174346  0.667970  0.537802  1
  Fe  Fe310  1  0.030958  0.966380  0.582219  1
  Fe  Fe311  1  0.674346  0.667970  0.537802  1
  Fe  Fe312  1  0.530958  0.966380  0.582219  1
  Fe  Fe313  1  0.074547  0.437250  0.544028  1
  Fe  Fe314  1  0.574547  0.437250  0.544028  1
  Fe  Fe315  1  0.930066  0.736412  0.588500  1
  Fe  Fe316  1  0.002549  0.086847  0.566203  1
  Fe  Fe317  1  0.430066  0.736412  0.588500  1
  Fe  Fe318  1  0.502549  0.086847  0.566203  1
  Fe  Fe319  1  0.747454  0.370291  0.567811  1
  Fe  Fe320  1  0.247454  0.370291  0.567811  1
  Fe  Fe321  1  0.818617  0.721026  0.545663  1
  Fe  Fe322  1  0.675884  0.019711  0.590252  1
  Fe  Fe323  1  0.318617  0.721026  0.545663  1
  Fe  Fe324  1  0.175884  0.019711  0.590252  1
  Fe  Fe325  1  0.172970  0.561269  0.536605  1
  Fe  Fe326  1  0.672970  0.561269  0.536605  1
  Fe  Fe327  1  0.028406  0.860013  0.581113  1
  Fe  Fe328  1  0.101642  0.210653  0.558622  1
  Fe  Fe329  1  0.528406  0.860013  0.581113  1
  Fe  Fe330  1  0.601642  0.210653  0.558622  1
  Fe  Fe331  1  0.732673  0.230922  0.595431  1
  Fe  Fe332  1  0.232673  0.230922  0.595431  1
  Fe  Fe333  1  0.804737  0.581662  0.572554  1
  Fe  Fe334  1  0.877012  0.931988  0.550848  1
  Fe  Fe335  1  0.304737  0.581662  0.572554  1
  Fe  Fe336  1  0.377012  0.931988  0.550848  1
  Fe  Fe337  1  0.897705  0.388618  0.544408  1
  Fe  Fe338  1  0.397705  0.388618  0.544408  1
  Fe  Fe339  1  0.753857  0.686647  0.589537  1
  Fe  Fe340  1  0.826119  0.038010  0.566797  1
  Fe  Fe341  1  0.253857  0.686647  0.589537  1
  Fe  Fe342  1  0.326119  0.038010  0.566797  1
  Fe  Fe343  1  0.008901  0.403927  0.587473  1
  Fe  Fe344  1  0.508901  0.403927  0.587473  1
  Fe  Fe345  1  0.080942  0.754611  0.565350  1
  Fe  Fe346  1  0.153389  0.104906  0.542896  1
  Fe  Fe347  1  0.580942  0.754611  0.565350  1
  Fe  Fe348  1  0.653389  0.104906  0.542896  1
  Fe  Fe349  1  0.798811  0.264593  0.552065  1
  Fe  Fe350  1  0.298811  0.264593  0.552065  1
  Fe  Fe351  1  0.657811  0.562826  0.596202  1
  Fe  Fe352  1  0.728047  0.913933  0.574555  1
  Fe  Fe353  1  0.157811  0.562826  0.596202  1
  Fe  Fe354  1  0.228047  0.913933  0.574555  1
  Fe  Fe355  1  0.023134  0.543388  0.560098  1
  Fe  Fe356  1  0.523134  0.543388  0.560098  1
  Fe  Fe357  1  0.095751  0.893702  0.537993  1
  Fe  Fe358  1  0.951186  0.193077  0.582005  1
  Fe  Fe359  1  0.595751  0.893702  0.537993  1
  Fe  Fe360  1  0.451186  0.193077  0.582005  1
  Fe  Fe361  1  0.435335  0.406927  0.662005  1
  Fe  Fe362  1  0.935335  0.406927  0.662005  1
  Fe  Fe363  1  0.509426  0.755831  0.639919  1
  Fe  Fe364  1  0.582606  0.106540  0.617428  1
  Fe  Fe365  1  0.009426  0.755831  0.639919  1
  Fe  Fe366  1  0.082606  0.106540  0.617428  1
  Fe  Fe367  1  0.729892  0.248912  0.648590  1
  Fe  Fe368  1  0.229892  0.248912  0.648590  1
  Fe  Fe369  1  0.803705  0.598511  0.626195  1
  Fe  Fe370  1  0.874854  0.949533  0.604352  1
  Fe  Fe371  1  0.303705  0.598511  0.626195  1
  Fe  Fe372  1  0.374854  0.949533  0.604352  1
  Fe  Fe373  1  0.592753  0.423275  0.640413  1
  Fe  Fe374  1  0.092753  0.423275  0.640413  1
  Fe  Fe375  1  0.665038  0.773555  0.618096  1
  Fe  Fe376  1  0.521859  0.072781  0.662045  1
  Fe  Fe377  1  0.165038  0.773555  0.618096  1
  Fe  Fe378  1  0.021859  0.072781  0.662045  1
  Fe  Fe379  1  0.885314  0.266611  0.626789  1
  Fe  Fe380  1  0.385314  0.266611  0.626789  1
  Fe  Fe381  1  0.958515  0.616525  0.604128  1
  Fe  Fe382  1  0.814831  0.914272  0.649218  1
  Fe  Fe383  1  0.458515  0.616525  0.604128  1
  Fe  Fe384  1  0.314831  0.914272  0.649218  1
  Fe  Fe385  1  0.858227  0.385736  0.610805  1
  Fe  Fe386  1  0.358227  0.385736  0.610805  1
  Fe  Fe387  1  0.712687  0.687653  0.653174  1
  Fe  Fe388  1  0.786806  0.035131  0.633093  1
  Fe  Fe389  1  0.212687  0.687653  0.653174  1
  Fe  Fe390  1  0.286806  0.035131  0.633093  1
  Fe  Fe391  1  0.529162  0.319357  0.634135  1
  Fe  Fe392  1  0.029162  0.319357  0.634135  1
  Fe  Fe393  1  0.599452  0.668947  0.612072  1
  Fe  Fe394  1  0.459787  0.968697  0.656652  1
  Fe  Fe395  1  0.099452  0.668947  0.612072  1
  Fe  Fe396  1  0.959787  0.968697  0.656652  1
  Fe  Fe397  1  0.955216  0.510107  0.603052  1
  Fe  Fe398  1  0.455216  0.510107  0.603052  1
  Fe  Fe399  1  0.809493  0.807489  0.648501  1
  Fe  Fe400  1  0.886846  0.159436  0.625388  1
  Fe  Fe401  1  0.309493  0.807489  0.648501  1
  Fe  Fe402  1  0.386846  0.159436  0.625388  1
  Fe  Fe403  1  0.517305  0.179944  0.663851  1
  Fe  Fe404  1  0.017305  0.179944  0.663851  1
  Fe  Fe405  1  0.589036  0.530649  0.637187  1
  Fe  Fe406  1  0.661149  0.880296  0.617443  1
  Fe  Fe407  1  0.089036  0.530649  0.637187  1
  Fe  Fe408  1  0.161149  0.880296  0.617443  1
  Fe  Fe409  1  0.680998  0.336692  0.611352  1
  Fe  Fe410  1  0.180998  0.336692  0.611352  1
  Fe  Fe411  1  0.539710  0.632871  0.656841  1
  Fe  Fe412  1  0.610376  0.986353  0.633747  1
  Fe  Fe413  1  0.039710  0.632871  0.656841  1
  Fe  Fe414  1  0.110376  0.986353  0.633747  1
  Fe  Fe415  1  0.793604  0.353258  0.655121  1
  Fe  Fe416  1  0.293604  0.353258  0.655121  1
  Fe  Fe417  1  0.866509  0.703142  0.632408  1
  Fe  Fe418  1  0.938021  0.053178  0.609369  1
  Fe  Fe419  1  0.366509  0.703142  0.632408  1
  Fe  Fe420  1  0.438021  0.053178  0.609369  1
  Fe  Fe421  1  0.580416  0.213062  0.618545  1
  Fe  Fe422  1  0.080416  0.213062  0.618545  1
  Fe  Fe423  1  0.452259  0.510549  0.663074  1
  Fe  Fe424  1  0.512991  0.861987  0.640978  1
  Fe  Fe425  1  0.952259  0.510549  0.663074  1
  Fe  Fe426  1  0.012991  0.861987  0.640978  1
  Fe  Fe427  1  0.806924  0.491203  0.627590  1
  Fe  Fe428  1  0.306924  0.491203  0.627590  1
  Fe  Fe429  1  0.879512  0.841639  0.605409  1
  Fe  Fe430  1  0.735356  0.141850  0.648234  1
  Fe  Fe431  1  0.379512  0.841639  0.605409  1
  Fe  Fe432  1  0.235356  0.141850  0.648234  1
  Fe  Fe433  1  0.221876  0.355068  0.730358  1
  Fe  Fe434  1  0.721876  0.355068  0.730358  1
  Fe  Fe435  1  0.296782  0.703943  0.707567  1
  Fe  Fe436  1  0.368005  0.054915  0.683911  1
  Fe  Fe437  1  0.796782  0.703943  0.707567  1
  Fe  Fe438  1  0.868005  0.054915  0.683911  1
  Fe  Fe439  1  0.514323  0.209871  0.717225  1
  Fe  Fe440  1  0.014323  0.209871  0.717225  1
  Fe  Fe441  1  0.591601  0.546190  0.693055  1
  Fe  Fe442  1  0.659790  0.897737  0.671010  1
  Fe  Fe443  1  0.091601  0.546190  0.693055  1
  Fe  Fe444  1  0.159790  0.897737  0.671010  1
  Fe  Fe445  1  0.378895  0.369113  0.707947  1
  Fe  Fe446  1  0.878895  0.369113  0.707947  1
  Fe  Fe447  1  0.449256  0.722879  0.685106  1
  Fe  Fe448  1  0.307799  0.021785  0.729331  1
  Fe  Fe449  1  0.949256  0.722879  0.685106  1
  Fe  Fe450  1  0.807799  0.021785  0.729331  1
  Fe  Fe451  1  0.670465  0.213693  0.692121  1
  Fe  Fe452  1  0.170465  0.213693  0.692121  1
  Fe  Fe453  1  0.746390  0.561254  0.669401  1
  Fe  Fe454  1  0.586060  0.879089  0.717525  1
  Fe  Fe455  1  0.246390  0.561254  0.669401  1
  Fe  Fe456  1  0.086060  0.879089  0.717525  1
  Fe  Fe457  1  0.640274  0.338061  0.675261  1
  Fe  Fe458  1  0.140274  0.338061  0.675261  1
  Fe  Fe459  1  0.502815  0.638684  0.716976  1
  Fe  Fe460  1  0.571824  0.985308  0.698951  1
  Fe  Fe461  1  0.002815  0.638684  0.716976  1
  Fe  Fe462  1  0.071824  0.985308  0.698951  1
  Fe  Fe463  1  0.304385  0.264548  0.700611  1
  Fe  Fe464  1  0.804385  0.264548  0.700611  1
  Fe  Fe465  1  0.378682  0.614724  0.678094  1
  Fe  Fe466  1  0.241773  0.920542  0.723242  1
  Fe  Fe467  1  0.878682  0.614724  0.678094  1
  Fe  Fe468  1  0.741773  0.920542  0.723242  1
  Fe  Fe469  1  0.730096  0.457862  0.670703  1
  Fe  Fe470  1  0.230096  0.457862  0.670703  1
  Fe  Fe471  1  0.585439  0.759866  0.713955  1
  Fe  Fe472  1  0.670131  0.109601  0.691735  1
  Fe  Fe473  1  0.085439  0.759866  0.713955  1
  Fe  Fe474  1  0.170131  0.109601  0.691735  1
  Fe  Fe475  1  0.303333  0.131260  0.726540  1
  Fe  Fe476  1  0.803333  0.131260  0.726540  1
  Fe  Fe477  1  0.375162  0.480128  0.703344  1
  Fe  Fe478  1  0.444987  0.829376  0.683306  1
  Fe  Fe479  1  0.875162  0.480128  0.703344  1
  Fe  Fe480  1  0.944987  0.829376  0.683306  1
  Fe  Fe481  1  0.464248  0.284859  0.677502  1
  Fe  Fe482  1  0.964248  0.284859  0.677502  1
  Fe  Fe483  1  0.326226  0.584892  0.722879  1
  Fe  Fe484  1  0.393426  0.936941  0.699012  1
  Fe  Fe485  1  0.826226  0.584892  0.722879  1
  Fe  Fe486  1  0.893426  0.936941  0.699012  1
  Fe  Fe487  1  0.588580  0.304663  0.718841  1
  Fe  Fe488  1  0.088580  0.304663  0.718841  1
  Fe  Fe489  1  0.663327  0.654023  0.696247  1
  Fe  Fe490  1  0.721753  0.002309  0.676558  1
  Fe  Fe491  1  0.163327  0.654023  0.696247  1
  Fe  Fe492  1  0.221753  0.002309  0.676558  1
  Fe  Fe493  1  0.369587  0.160097  0.684451  1
  Fe  Fe494  1  0.869587  0.160097  0.684451  1
  Fe  Fe495  1  0.225795  0.463822  0.729186  1
  Fe  Fe496  1  0.281902  0.812508  0.706961  1
  Fe  Fe497  1  0.725795  0.463822  0.729186  1
  Fe  Fe498  1  0.781902  0.812508  0.706961  1
  Fe  Fe499  1  0.592276  0.437605  0.700020  1
  Fe  Fe500  1  0.092276  0.437605  0.700020  1
  Fe  Fe501  1  0.663191  0.789714  0.672657  1
  Fe  Fe502  1  0.520668  0.090787  0.716093  1
  Fe  Fe503  1  0.163191  0.789714  0.672657  1
  Fe  Fe504  1  0.020668  0.090787  0.716093  1
  C  C505  1  0.807279  0.686197  0.296893  1
  C  C506  1  0.307279  0.686197  0.296893  1
  C  C507  1  0.878245  0.036003  0.276911  1
  C  C508  1  0.737925  0.336933  0.319152  1
  C  C509  1  0.378245  0.036003  0.276911  1
  C  C510  1  0.237925  0.336933  0.319152  1
  C  C511  1  0.448408  0.496892  0.330229  1
  C  C512  1  0.948408  0.496892  0.330229  1
  C  C513  1  0.519989  0.846811  0.307391  1
  C  C514  1  0.590691  0.193401  0.286395  1
  C  C515  1  0.019989  0.846811  0.307391  1
  C  C516  1  0.090691  0.193401  0.286395  1
  C  C517  1  0.031600  0.689228  0.291694  1
  C  C518  1  0.531600  0.689228  0.291694  1
  C  C519  1  0.103481  0.040142  0.269237  1
  C  C520  1  0.963788  0.341553  0.312707  1
  C  C521  1  0.603481  0.040142  0.269237  1
  C  C522  1  0.463788  0.341553  0.312707  1
  C  C523  1  0.674382  0.500615  0.325432  1
  C  C524  1  0.174382  0.500615  0.325432  1
  C  C525  1  0.747754  0.851008  0.303608  1
  C  C526  1  0.817015  0.199453  0.281096  1
  C  C527  1  0.247754  0.851008  0.303608  1
  C  C528  1  0.317015  0.199453  0.281096  1
  C  C529  1  0.594581  0.635169  0.363882  1
  C  C530  1  0.094581  0.635169  0.363882  1
  C  C531  1  0.667939  0.985959  0.341773  1
  C  C532  1  0.521718  0.286078  0.385122  1
  C  C533  1  0.167939  0.985959  0.341773  1
  C  C534  1  0.021718  0.286078  0.385122  1
  C  C535  1  0.233115  0.443470  0.397439  1
  C  C536  1  0.733115  0.443470  0.397439  1
  C  C537  1  0.305100  0.793445  0.375398  1
  C  C538  1  0.376277  0.144230  0.353533  1
  C  C539  1  0.805100  0.793445  0.375398  1
  C  C540  1  0.876277  0.144230  0.353533  1
  C  C541  1  0.819324  0.640320  0.357952  1
  C  C542  1  0.319324  0.640320  0.357952  1
  C  C543  1  0.893193  0.990593  0.335391  1
  C  C544  1  0.747790  0.290308  0.379878  1
  C  C545  1  0.393193  0.990593  0.335391  1
  C  C546  1  0.247790  0.290308  0.379878  1
  C  C547  1  0.459068  0.448049  0.391750  1
  C  C548  1  0.959068  0.448049  0.391750  1
  C  C549  1  0.531370  0.798659  0.369661  1
  C  C550  1  0.602548  0.147932  0.347570  1
  C  C551  1  0.031370  0.798659  0.369661  1
  C  C552  1  0.102548  0.147932  0.347570  1
  C  C553  1  0.379102  0.584208  0.430071  1
  C  C554  1  0.879102  0.584208  0.430071  1
  C  C555  1  0.451079  0.935073  0.407667  1
  C  C556  1  0.306002  0.234380  0.452093  1
  C  C557  1  0.951079  0.935073  0.407667  1
  C  C558  1  0.806002  0.234380  0.452093  1
  C  C559  1  0.016667  0.391555  0.464048  1
  C  C560  1  0.516667  0.391555  0.464048  1
  C  C561  1  0.088747  0.742355  0.442078  1
  C  C562  1  0.160859  0.092699  0.419970  1
  C  C563  1  0.588747  0.742355  0.442078  1
  C  C564  1  0.660859  0.092699  0.419970  1
  C  C565  1  0.604614  0.588760  0.424320  1
  C  C566  1  0.104614  0.588760  0.424320  1
  C  C567  1  0.676798  0.939810  0.402243  1
  C  C568  1  0.532053  0.238609  0.446401  1
  C  C569  1  0.176798  0.939810  0.402243  1
  C  C570  1  0.032053  0.238609  0.446401  1
  C  C571  1  0.242859  0.395880  0.458646  1
  C  C572  1  0.742859  0.395880  0.458646  1
  C  C573  1  0.314989  0.746465  0.436570  1
  C  C574  1  0.386730  0.096799  0.414294  1
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