# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.24580589
_cell_length_b   17.06022596
_cell_length_c   49.50974155
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.46635913
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe432 C144'
_cell_volume   13556.1757895
_cell_formula_units_Z   144
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  0.926194  0.301940  0.321552  1
  Fe  Fe2  1  0.548868  0.325430  0.300445  1
  Fe  Fe3  1  0.300273  0.264753  0.345583  1
  Fe  Fe4  1  0.300163  0.764744  0.345570  1
  Fe  Fe5  1  0.926049  0.801943  0.321550  1
  Fe  Fe6  1  0.548757  0.825441  0.300425  1
  Fe  Fe7  1  0.625976  0.177003  0.311789  1
  Fe  Fe8  1  0.370061  0.097355  0.354598  1
  Fe  Fe9  1  0.998637  0.131648  0.333648  1
  Fe  Fe10  1  0.998707  0.631615  0.333677  1
  Fe  Fe11  1  0.625990  0.676968  0.311801  1
  Fe  Fe12  1  0.370155  0.597361  0.354621  1
  Fe  Fe13  1  0.761921  0.052537  0.331604  1
  Fe  Fe14  1  0.387565  0.085852  0.308091  1
  Fe  Fe15  1  0.131726  0.003026  0.353850  1
  Fe  Fe16  1  0.131819  0.503003  0.353864  1
  Fe  Fe17  1  0.762020  0.552607  0.331622  1
  Fe  Fe18  1  0.387576  0.585768  0.308097  1
  Fe  Fe19  1  0.886109  0.009778  0.300659  1
  Fe  Fe20  1  0.648746  0.935916  0.348838  1
  Fe  Fe21  1  0.257582  0.972094  0.322923  1
  Fe  Fe22  1  0.257667  0.472073  0.322944  1
  Fe  Fe23  1  0.886145  0.509738  0.300679  1
  Fe  Fe24  1  0.648846  0.435926  0.348851  1
  Fe  Fe25  1  0.682641  0.317191  0.326184  1
  Fe  Fe26  1  0.299721  0.331274  0.303929  1
  Fe  Fe27  1  0.046353  0.265071  0.349153  1
  Fe  Fe28  1  0.046229  0.765073  0.349147  1
  Fe  Fe29  1  0.682527  0.817188  0.326157  1
  Fe  Fe30  1  0.299616  0.831297  0.303914  1
  Fe  Fe31  1  0.880495  0.163969  0.306835  1
  Fe  Fe32  1  0.625723  0.091941  0.351497  1
  Fe  Fe33  1  0.257499  0.132007  0.329995  1
  Fe  Fe34  1  0.257580  0.631962  0.330010  1
  Fe  Fe35  1  0.880570  0.663888  0.306863  1
  Fe  Fe36  1  0.625797  0.591942  0.351510  1
  Fe  Fe37  1  0.602407  0.999428  0.311782  1
  Fe  Fe38  1  0.366888  0.935362  0.345814  1
  Fe  Fe39  1  0.987482  0.961555  0.330779  1
  Fe  Fe40  1  0.987611  0.461579  0.330772  1
  Fe  Fe41  1  0.602455  0.499426  0.311801  1
  Fe  Fe42  1  0.366987  0.435356  0.345826  1
  Fe  Fe43  1  0.873143  0.989354  0.356839  1
  Fe  Fe44  1  0.498503  0.040398  0.332913  1
  Fe  Fe45  1  0.130195  0.079024  0.311072  1
  Fe  Fe46  1  0.130270  0.579044  0.311090  1
  Fe  Fe47  1  0.873285  0.489264  0.356848  1
  Fe  Fe48  1  0.498576  0.540421  0.332919  1
  Fe  Fe49  1  0.723206  0.944516  0.301023  1
  Fe  Fe50  1  0.484641  0.849522  0.349729  1
  Fe  Fe51  1  0.111679  0.883497  0.326974  1
  Fe  Fe52  1  0.111793  0.383495  0.326982  1
  Fe  Fe53  1  0.723284  0.444522  0.301041  1
  Fe  Fe54  1  0.484734  0.349510  0.349747  1
  Fe  Fe55  1  0.890152  0.160222  0.358350  1
  Fe  Fe56  1  0.519872  0.204782  0.336496  1
  Fe  Fe57  1  0.156310  0.234939  0.312738  1
  Fe  Fe58  1  0.156266  0.734944  0.312746  1
  Fe  Fe59  1  0.890083  0.660233  0.358343  1
  Fe  Fe60  1  0.519809  0.704774  0.336494  1
  Fe  Fe61  1  0.839113  0.877569  0.325569  1
  Fe  Fe62  1  0.452133  0.929135  0.300801  1
  Fe  Fe63  1  0.219252  0.841613  0.350722  1
  Fe  Fe64  1  0.219364  0.341605  0.350722  1
  Fe  Fe65  1  0.839222  0.377505  0.325576  1
  Fe  Fe66  1  0.452198  0.429147  0.300810  1
  Fe  Fe67  1  0.771521  0.198190  0.337358  1
  Fe  Fe68  1  0.403011  0.244934  0.316138  1
  Fe  Fe69  1  0.146890  0.163562  0.360579  1
  Fe  Fe70  1  0.146898  0.663633  0.360592  1
  Fe  Fe71  1  0.771433  0.698297  0.337374  1
  Fe  Fe72  1  0.402972  0.744948  0.316143  1
  Fe  Fe73  1  0.039294  0.183033  0.390460  1
  Fe  Fe74  1  0.666479  0.220200  0.367416  1
  Fe  Fe75  1  0.411217  0.144707  0.413273  1
  Fe  Fe76  1  0.411055  0.644699  0.413262  1
  Fe  Fe77  1  0.039168  0.683037  0.390448  1
  Fe  Fe78  1  0.666386  0.720257  0.367409  1
  Fe  Fe79  1  0.740210  0.054373  0.376939  1
  Fe  Fe80  1  0.484878  0.977990  0.422571  1
  Fe  Fe81  1  0.115392  0.017381  0.400542  1
  Fe  Fe82  1  0.115537  0.517335  0.400555  1
  Fe  Fe83  1  0.740323  0.554344  0.376975  1
  Fe  Fe84  1  0.485044  0.477981  0.422597  1
  Fe  Fe85  1  0.877860  0.934272  0.400617  1
  Fe  Fe86  1  0.501412  0.968024  0.376043  1
  Fe  Fe87  1  0.246407  0.888487  0.422626  1
  Fe  Fe88  1  0.246581  0.388479  0.422642  1
  Fe  Fe89  1  0.878012  0.434288  0.400638  1
  Fe  Fe90  1  0.501529  0.468040  0.376053  1
  Fe  Fe91  1  0.005551  0.893987  0.369725  1
  Fe  Fe92  1  0.743797  0.818925  0.413637  1
  Fe  Fe93  1  0.365790  0.860217  0.389675  1
  Fe  Fe94  1  0.365923  0.360214  0.389686  1
  Fe  Fe95  1  0.005631  0.393969  0.369723  1
  Fe  Fe96  1  0.743975  0.318876  0.413647  1
  Fe  Fe97  1  0.789343  0.185602  0.394719  1
  Fe  Fe98  1  0.419019  0.229349  0.372156  1
  Fe  Fe99  1  0.159577  0.147880  0.418014  1
  Fe  Fe100  1  0.159364  0.647856  0.418005  1
  Fe  Fe101  1  0.789172  0.685693  0.394706  1
  Fe  Fe102  1  0.418853  0.729370  0.372137  1
  Fe  Fe103  1  0.999442  0.050973  0.375686  1
  Fe  Fe104  1  0.742430  0.973517  0.420503  1
  Fe  Fe105  1  0.370764  0.012901  0.398026  1
  Fe  Fe106  1  0.370892  0.512848  0.398049  1
  Fe  Fe107  1  0.999558  0.550889  0.375714  1
  Fe  Fe108  1  0.742599  0.473451  0.420515  1
  Fe  Fe109  1  0.741842  0.882844  0.372856  1
  Fe  Fe110  1  0.482672  0.820098  0.412503  1
  Fe  Fe111  1  0.112098  0.855685  0.390288  1
  Fe  Fe112  1  0.112226  0.355652  0.390290  1
  Fe  Fe113  1  0.741982  0.382737  0.372864  1
  Fe  Fe114  1  0.482850  0.320103  0.412515  1
  Fe  Fe115  1  0.990044  0.875862  0.425410  1
  Fe  Fe116  1  0.616795  0.918363  0.402019  1
  Fe  Fe117  1  0.245209  0.954063  0.379202  1
  Fe  Fe118  1  0.245348  0.454019  0.379213  1
  Fe  Fe119  1  0.990237  0.375768  0.425425  1
  Fe  Fe120  1  0.616959  0.418389  0.402030  1
  Fe  Fe121  1  0.855148  0.809038  0.373192  1
  Fe  Fe122  1  0.597126  0.728957  0.418569  1
  Fe  Fe123  1  0.224617  0.768077  0.396124  1
  Fe  Fe124  1  0.224762  0.268066  0.396120  1
  Fe  Fe125  1  0.855257  0.308996  0.373205  1
  Fe  Fe126  1  0.597300  0.228893  0.418574  1
  Fe  Fe127  1  0.003192  0.043889  0.426933  1
  Fe  Fe128  1  0.632606  0.082636  0.404102  1
  Fe  Fe129  1  0.261985  0.121229  0.381192  1
  Fe  Fe130  1  0.261920  0.621222  0.381195  1
  Fe  Fe131  1  0.003034  0.543910  0.426902  1
  Fe  Fe132  1  0.632549  0.582697  0.404090  1
  Fe  Fe133  1  0.962356  0.763846  0.396122  1
  Fe  Fe134  1  0.594275  0.805437  0.375252  1
  Fe  Fe135  1  0.334483  0.725586  0.420018  1
  Fe  Fe136  1  0.334654  0.225573  0.420021  1
  Fe  Fe137  1  0.962472  0.263792  0.396123  1
  Fe  Fe138  1  0.594448  0.305426  0.375266  1
  Fe  Fe139  1  0.886445  0.087537  0.405264  1
  Fe  Fe140  1  0.517661  0.127295  0.383268  1
  Fe  Fe141  1  0.260232  0.047283  0.428620  1
  Fe  Fe142  1  0.260198  0.547377  0.428621  1
  Fe  Fe143  1  0.886347  0.587699  0.405212  1
  Fe  Fe144  1  0.517675  0.627355  0.383277  1
  Fe  Fe145  1  0.153093  0.064996  0.458674  1
  Fe  Fe146  1  0.782877  0.105166  0.435809  1
  Fe  Fe147  1  0.525177  0.026542  0.481349  1
  Fe  Fe148  1  0.524993  0.526552  0.481329  1
  Fe  Fe149  1  0.152894  0.564976  0.458654  1
  Fe  Fe150  1  0.782723  0.605180  0.435782  1
  Fe  Fe151  1  0.855839  0.936933  0.445944  1
  Fe  Fe152  1  0.599005  0.859163  0.490962  1
  Fe  Fe153  1  0.228484  0.898449  0.468581  1
  Fe  Fe154  1  0.228674  0.398410  0.468596  1
  Fe  Fe155  1  0.856001  0.436865  0.445965  1
  Fe  Fe156  1  0.599226  0.359122  0.490982  1
  Fe  Fe157  1  0.990245  0.811910  0.468462  1
  Fe  Fe158  1  0.617253  0.850455  0.444750  1
  Fe  Fe159  1  0.360480  0.770554  0.490738  1
  Fe  Fe160  1  0.360705  0.270552  0.490758  1
  Fe  Fe161  1  0.990448  0.311893  0.468487  1
  Fe  Fe162  1  0.617416  0.350426  0.444758  1
  Fe  Fe163  1  0.107803  0.782652  0.435141  1
  Fe  Fe164  1  0.850692  0.703754  0.480662  1
  Fe  Fe165  1  0.480255  0.742472  0.457937  1
  Fe  Fe166  1  0.480440  0.242440  0.457955  1
  Fe  Fe167  1  0.107970  0.282633  0.435152  1
  Fe  Fe168  1  0.850885  0.203722  0.480675  1
  Fe  Fe169  1  0.902220  0.068974  0.463329  1
  Fe  Fe170  1  0.531614  0.108538  0.440354  1
  Fe  Fe171  1  0.273459  0.029584  0.486155  1
  Fe  Fe172  1  0.273180  0.529575  0.486143  1
  Fe  Fe173  1  0.901979  0.568997  0.463308  1
  Fe  Fe174  1  0.531395  0.608582  0.440338  1
  Fe  Fe175  1  0.116194  0.933272  0.443662  1
  Fe  Fe176  1  0.857733  0.855105  0.489018  1
  Fe  Fe177  1  0.486056  0.894621  0.466216  1
  Fe  Fe178  1  0.486271  0.394571  0.466239  1
  Fe  Fe179  1  0.116384  0.433192  0.443684  1
  Fe  Fe180  1  0.857967  0.355001  0.489042  1
  Fe  Fe181  1  0.854977  0.781010  0.435450  1
  Fe  Fe182  1  0.596973  0.701516  0.480466  1
  Fe  Fe183  1  0.225740  0.740235  0.458037  1
  Fe  Fe184  1  0.225957  0.240219  0.458046  1
  Fe  Fe185  1  0.855187  0.280958  0.435457  1
  Fe  Fe186  1  0.597177  0.201492  0.480479  1
  Fe  Fe187  1  0.103780  0.757520  0.493557  1
  Fe  Fe188  1  0.732384  0.797982  0.470386  1
  Fe  Fe189  1  0.360359  0.837081  0.447735  1
  Fe  Fe190  1  0.360578  0.337053  0.447750  1
  Fe  Fe191  1  0.104021  0.257464  0.493572  1
  Fe  Fe192  1  0.732616  0.297924  0.470402  1
  Fe  Fe193  1  0.967426  0.690726  0.442030  1
  Fe  Fe194  1  0.709952  0.611883  0.487291  1
  Fe  Fe195  1  0.338717  0.650199  0.464430  1
  Fe  Fe196  1  0.338926  0.150181  0.464427  1
  Fe  Fe197  1  0.967606  0.190691  0.442045  1
  Fe  Fe198  1  0.710164  0.111820  0.487304  1
  Fe  Fe199  1  0.118347  0.925101  0.495614  1
  Fe  Fe200  1  0.746375  0.965039  0.472478  1
  Fe  Fe201  1  0.375438  0.003772  0.449897  1
  Fe  Fe202  1  0.375346  0.503789  0.449881  1
  Fe  Fe203  1  0.118227  0.425106  0.495578  1
  Fe  Fe204  1  0.746293  0.465055  0.472439  1
  Fe  Fe205  1  0.076482  0.646561  0.465130  1
  Fe  Fe206  1  0.705495  0.686197  0.442065  1
  Fe  Fe207  1  0.447921  0.607099  0.487869  1
  Fe  Fe208  1  0.448114  0.107064  0.487871  1
  Fe  Fe209  1  0.076663  0.146516  0.465130  1
  Fe  Fe210  1  0.705663  0.186143  0.442072  1
  Fe  Fe211  1  0.005076  0.969757  0.474416  1
  Fe  Fe212  1  0.632818  0.008893  0.451382  1
  Fe  Fe213  1  0.375218  0.929627  0.496911  1
  Fe  Fe214  1  0.375262  0.429754  0.496912  1
  Fe  Fe215  1  0.005088  0.469914  0.474395  1
  Fe  Fe216  1  0.632875  0.509032  0.451380  1
  Fe  Fe217  1  0.267079  0.946868  0.526792  1
  Fe  Fe218  1  0.895720  0.986804  0.504220  1
  Fe  Fe219  1  0.638340  0.907619  0.549587  1
  Fe  Fe220  1  0.638122  0.407617  0.549553  1
  Fe  Fe221  1  0.266857  0.446857  0.526766  1
  Fe  Fe222  1  0.895501  0.486785  0.504188  1
  Fe  Fe223  1  0.970749  0.819031  0.514289  1
  Fe  Fe224  1  0.712914  0.740645  0.559216  1
  Fe  Fe225  1  0.342234  0.779986  0.536785  1
  Fe  Fe226  1  0.342476  0.279968  0.536806  1
  Fe  Fe227  1  0.970969  0.318963  0.514310  1
  Fe  Fe228  1  0.713130  0.240501  0.559232  1
  Fe  Fe229  1  0.103970  0.692736  0.536756  1
  Fe  Fe230  1  0.732296  0.732936  0.513415  1
  Fe  Fe231  1  0.474332  0.652268  0.558980  1
  Fe  Fe232  1  0.474541  0.152216  0.558996  1
  Fe  Fe233  1  0.104217  0.192712  0.536784  1
  Fe  Fe234  1  0.732514  0.232900  0.513439  1
  Fe  Fe235  1  0.221809  0.663980  0.503361  1
  Fe  Fe236  1  0.964471  0.585822  0.548921  1
  Fe  Fe237  1  0.592765  0.624748  0.525936  1
  Fe  Fe238  1  0.592966  0.124684  0.525957  1
  Fe  Fe239  1  0.222045  0.163977  0.503373  1
  Fe  Fe240  1  0.964724  0.085779  0.548946  1
  Fe  Fe241  1  0.016243  0.951038  0.531804  1
  Fe  Fe242  1  0.644767  0.990043  0.508579  1
  Fe  Fe243  1  0.387777  0.910716  0.554159  1
  Fe  Fe244  1  0.387493  0.410744  0.554134  1
  Fe  Fe245  1  0.015913  0.451017  0.531779  1
  Fe  Fe246  1  0.644480  0.490065  0.508549  1
  Fe  Fe247  1  0.229657  0.814614  0.511861  1
  Fe  Fe248  1  0.972274  0.736258  0.557426  1
  Fe  Fe249  1  0.600815  0.776383  0.534254  1
  Fe  Fe250  1  0.601087  0.276302  0.534276  1
  Fe  Fe251  1  0.229903  0.314555  0.511883  1
  Fe  Fe252  1  0.972557  0.236110  0.557456  1
  Fe  Fe253  1  0.968320  0.661966  0.503503  1
  Fe  Fe254  1  0.710073  0.583224  0.548713  1
  Fe  Fe255  1  0.339619  0.622120  0.526220  1
  Fe  Fe256  1  0.339892  0.122134  0.526246  1
  Fe  Fe257  1  0.968546  0.161936  0.503517  1
  Fe  Fe258  1  0.710302  0.083175  0.548732  1
  Fe  Fe259  1  0.218130  0.639073  0.561729  1
  Fe  Fe260  1  0.846686  0.678947  0.538658  1
  Fe  Fe261  1  0.474662  0.718628  0.515934  1
  Fe  Fe262  1  0.474924  0.218596  0.515950  1
  Fe  Fe263  1  0.218410  0.139067  0.561756  1
  Fe  Fe264  1  0.846964  0.178886  0.538686  1
  Fe  Fe265  1  0.080885  0.572052  0.510071  1
  Fe  Fe266  1  0.823324  0.493592  0.555394  1
  Fe  Fe267  1  0.452251  0.532240  0.532765  1
  Fe  Fe268  1  0.452497  0.032177  0.532774  1
  Fe  Fe269  1  0.081141  0.072019  0.510086  1
  Fe  Fe270  1  0.823597  0.993516  0.555417  1
  Fe  Fe271  1  0.231479  0.806575  0.563665  1
  Fe  Fe272  1  0.860083  0.847074  0.540818  1
  Fe  Fe273  1  0.489727  0.885747  0.518182  1
  Fe  Fe274  1  0.489671  0.385791  0.518152  1
  Fe  Fe275  1  0.231383  0.306630  0.563628  1
  Fe  Fe276  1  0.859907  0.347092  0.540778  1
  Fe  Fe277  1  0.190088  0.527827  0.533292  1
  Fe  Fe278  1  0.818773  0.567814  0.510491  1
  Fe  Fe279  1  0.560979  0.488523  0.555981  1
  Fe  Fe280  1  0.561201  0.988464  0.555991  1
  Fe  Fe281  1  0.190323  0.027798  0.533304  1
  Fe  Fe282  1  0.818990  0.067758  0.510508  1
  Fe  Fe283  1  0.117536  0.851291  0.542489  1
  Fe  Fe284  1  0.745972  0.890612  0.519609  1
  Fe  Fe285  1  0.489308  0.811134  0.565237  1
  Fe  Fe286  1  0.489417  0.311297  0.565243  1
  Fe  Fe287  1  0.117614  0.351436  0.542472  1
  Fe  Fe288  1  0.746007  0.390782  0.519590  1
  Fe  Fe289  1  0.381178  0.827903  0.595164  1
  Fe  Fe290  1  0.009615  0.868386  0.572496  1
  Fe  Fe291  1  0.751658  0.789260  0.617470  1
  Fe  Fe292  1  0.751448  0.289310  0.617436  1
  Fe  Fe293  1  0.380955  0.327916  0.595136  1
  Fe  Fe294  1  0.009350  0.368350  0.572467  1
  Fe  Fe295  1  0.084584  0.699703  0.582508  1
  Fe  Fe296  1  0.826470  0.622240  0.627031  1
  Fe  Fe297  1  0.455580  0.661115  0.604955  1
  Fe  Fe298  1  0.455789  0.161008  0.604966  1
  Fe  Fe299  1  0.084847  0.199637  0.582516  1
  Fe  Fe300  1  0.826810  0.122228  0.627104  1
  Fe  Fe301  1  0.217182  0.572450  0.604652  1
  Fe  Fe302  1  0.846099  0.614246  0.581606  1
  Fe  Fe303  1  0.587728  0.533467  0.627121  1
  Fe  Fe304  1  0.588064  0.033509  0.627146  1
  Fe  Fe305  1  0.217381  0.072329  0.604666  1
  Fe  Fe306  1  0.846371  0.114188  0.581644  1
  Fe  Fe307  1  0.335764  0.545261  0.571595  1
  Fe  Fe308  1  0.081177  0.467203  0.617860  1
  Fe  Fe309  1  0.706208  0.506733  0.594550  1
  Fe  Fe310  1  0.706468  0.006687  0.594591  1
  Fe  Fe311  1  0.335972  0.045195  0.571615  1
  Fe  Fe312  1  0.081394  0.967140  0.617911  1
  Fe  Fe313  1  0.130306  0.830596  0.599357  1
  Fe  Fe314  1  0.757892  0.872045  0.576825  1
  Fe  Fe315  1  0.500035  0.792173  0.622486  1
  Fe  Fe316  1  0.499656  0.292152  0.622456  1
  Fe  Fe317  1  0.130033  0.330607  0.599321  1
  Fe  Fe318  1  0.757543  0.372033  0.576782  1
  Fe  Fe319  1  0.344294  0.695755  0.580112  1
  Fe  Fe320  1  0.087213  0.614353  0.625775  1
  Fe  Fe321  1  0.714647  0.657940  0.602357  1
  Fe  Fe322  1  0.714927  0.157936  0.602384  1
  Fe  Fe323  1  0.344600  0.195715  0.580137  1
  Fe  Fe324  1  0.087540  0.114291  0.625811  1
  Fe  Fe325  1  0.082186  0.543787  0.571906  1
  Fe  Fe326  1  0.824082  0.466195  0.616969  1
  Fe  Fe327  1  0.453222  0.503564  0.594404  1
  Fe  Fe328  1  0.453455  0.003539  0.594428  1
  Fe  Fe329  1  0.082519  0.043806  0.571957  1
  Fe  Fe330  1  0.824358  0.966052  0.616986  1
  Fe  Fe331  1  0.333132  0.518163  0.629368  1
  Fe  Fe332  1  0.962069  0.560524  0.607121  1
  Fe  Fe333  1  0.588802  0.599900  0.583864  1
  Fe  Fe334  1  0.589079  0.099850  0.583890  1
  Fe  Fe335  1  0.333384  0.018065  0.629376  1
  Fe  Fe336  1  0.962379  0.060401  0.607158  1
  Fe  Fe337  1  0.195193  0.452985  0.578182  1
  Fe  Fe338  1  0.938910  0.376961  0.622611  1
  Fe  Fe339  1  0.565595  0.414169  0.601303  1
  Fe  Fe340  1  0.565917  0.914149  0.601318  1
  Fe  Fe341  1  0.195463  0.952892  0.578216  1
  Fe  Fe342  1  0.939192  0.876889  0.622676  1
  Fe  Fe343  1  0.345511  0.688425  0.631697  1
  Fe  Fe344  1  0.970463  0.730114  0.608261  1
  Fe  Fe345  1  0.603370  0.767921  0.586262  1
  Fe  Fe346  1  0.603326  0.267926  0.586237  1
  Fe  Fe347  1  0.345432  0.188443  0.631662  1
  Fe  Fe348  1  0.970179  0.230142  0.608185  1
  Fe  Fe349  1  0.303012  0.407776  0.601316  1
  Fe  Fe350  1  0.932967  0.449625  0.578796  1
  Fe  Fe351  1  0.674288  0.370054  0.624240  1
  Fe  Fe352  1  0.674558  0.869987  0.624264  1
  Fe  Fe353  1  0.303202  0.907653  0.601335  1
  Fe  Fe354  1  0.933176  0.949526  0.578819  1
  Fe  Fe355  1  0.234164  0.730295  0.611316  1
  Fe  Fe356  1  0.859309  0.773834  0.587176  1
  Fe  Fe357  1  0.603133  0.692210  0.633579  1
  Fe  Fe358  1  0.603194  0.192322  0.633592  1
  Fe  Fe359  1  0.234365  0.230581  0.611307  1
  Fe  Fe360  1  0.859247  0.274165  0.587097  1
  Fe  Fe361  1  0.494466  0.708733  0.663272  1
  Fe  Fe362  1  0.123054  0.747998  0.640811  1
  Fe  Fe363  1  0.871317  0.673848  0.685850  1
  Fe  Fe364  1  0.871040  0.173845  0.685758  1
  Fe  Fe365  1  0.494197  0.208729  0.663242  1
  Fe  Fe366  1  0.122890  0.248041  0.640786  1
  Fe  Fe367  1  0.198920  0.581207  0.650547  1
  Fe  Fe368  1  0.941488  0.505796  0.694824  1
  Fe  Fe369  1  0.570300  0.542129  0.672327  1
  Fe  Fe370  1  0.570606  0.042167  0.672366  1
  Fe  Fe371  1  0.199225  0.081253  0.650604  1
  Fe  Fe372  1  0.941556  0.005105  0.694860  1
  Fe  Fe373  1  0.333066  0.460942  0.676480  1
  Fe  Fe374  1  0.961109  0.497538  0.649566  1
  Fe  Fe375  1  0.702953  0.416133  0.695547  1
  Fe  Fe376  1  0.702939  0.915672  0.695429  1
  Fe  Fe377  1  0.333361  0.960924  0.676480  1
  Fe  Fe378  1  0.961413  0.997487  0.649633  1
  Fe  Fe379  1  0.449168  0.427016  0.640237  1
  Fe  Fe380  1  0.185850  0.345961  0.684728  1
  Fe  Fe381  1  0.820906  0.389246  0.662734  1
  Fe  Fe382  1  0.821057  0.889084  0.662757  1
  Fe  Fe383  1  0.449453  0.926964  0.640265  1
  Fe  Fe384  1  0.186261  0.845909  0.684768  1
  Fe  Fe385  1  0.245530  0.713036  0.668656  1
  Fe  Fe386  1  0.875803  0.753913  0.644405  1
  Fe  Fe387  1  0.623846  0.673791  0.690446  1
  Fe  Fe388  1  0.623707  0.174085  0.690435  1
  Fe  Fe389  1  0.245116  0.213027  0.668587  1
  Fe  Fe390  1  0.875452  0.254098  0.644347  1
  Fe  Fe391  1  0.458720  0.577114  0.648059  1
  Fe  Fe392  1  0.222598  0.502723  0.696603  1
  Fe  Fe393  1  0.828722  0.539325  0.670393  1
  Fe  Fe394  1  0.829006  0.039219  0.670422  1
  Fe  Fe395  1  0.458972  0.077087  0.648076  1
  Fe  Fe396  1  0.222921  0.002828  0.696616  1
  Fe  Fe397  1  0.197773  0.422956  0.640131  1
  Fe  Fe398  1  0.947825  0.363695  0.679952  1
  Fe  Fe399  1  0.567435  0.385560  0.662183  1
  Fe  Fe400  1  0.567670  0.885565  0.662191  1
  Fe  Fe401  1  0.197925  0.922841  0.640153  1
  Fe  Fe402  1  0.948044  0.863672  0.679987  1
  Fe  Fe403  1  0.448150  0.405815  0.699775  1
  Fe  Fe404  1  0.083529  0.449938  0.679016  1
  Fe  Fe405  1  0.702545  0.481621  0.652272  1
  Fe  Fe406  1  0.702801  0.981603  0.652279  1
  Fe  Fe407  1  0.448463  0.905913  0.699827  1
  Fe  Fe408  1  0.083813  0.949880  0.679064  1
  Fe  Fe409  1  0.308240  0.335863  0.646704  1
  Fe  Fe410  1  0.046881  0.245505  0.691762  1
  Fe  Fe411  1  0.683517  0.298873  0.667292  1
  Fe  Fe412  1  0.683762  0.798560  0.667324  1
  Fe  Fe413  1  0.308560  0.835782  0.646710  1
  Fe  Fe414  1  0.047388  0.745685  0.691812  1
  Fe  Fe415  1  0.458429  0.573201  0.699361  1
  Fe  Fe416  1  0.076770  0.608601  0.676780  1
  Fe  Fe417  1  0.721093  0.650613  0.655072  1
  Fe  Fe418  1  0.721060  0.150735  0.655046  1
  Fe  Fe419  1  0.458593  0.073306  0.699325  1
  Fe  Fe420  1  0.076682  0.108585  0.676769  1
  Fe  Fe421  1  0.417862  0.291840  0.669889  1
  Fe  Fe422  1  0.051090  0.334394  0.646966  1
  Fe  Fe423  1  0.790702  0.258194  0.692246  1
  Fe  Fe424  1  0.790889  0.758050  0.692271  1
  Fe  Fe425  1  0.418186  0.791888  0.669909  1
  Fe  Fe426  1  0.051252  0.834296  0.646998  1
  Fe  Fe427  1  0.347876  0.619160  0.675682  1
  Fe  Fe428  1  0.971314  0.664598  0.651940  1
  Fe  Fe429  1  0.724543  0.576319  0.697427  1
  Fe  Fe430  1  0.724769  0.076375  0.697416  1
  Fe  Fe431  1  0.347894  0.119265  0.675636  1
  Fe  Fe432  1  0.971316  0.164915  0.651741  1
  C  C433  1  0.762518  0.800886  0.350306  1
  C  C434  1  0.392537  0.848245  0.327663  1
  C  C435  1  0.020010  0.891141  0.306524  1
  C  C436  1  0.020138  0.391146  0.306525  1
  C  C437  1  0.762634  0.300782  0.350306  1
  C  C438  1  0.392655  0.348249  0.327675  1
  C  C439  1  0.944867  0.280598  0.358567  1
  C  C440  1  0.579148  0.324494  0.337738  1
  C  C441  1  0.202620  0.355965  0.312932  1
  C  C442  1  0.202508  0.855966  0.312931  1
  C  C443  1  0.944755  0.780612  0.358564  1
  C  C444  1  0.579041  0.824490  0.337717  1
  C  C445  1  0.879703  0.076246  0.331290  1
  C  C446  1  0.507234  0.127421  0.307144  1
  C  C447  1  0.251166  0.039744  0.353252  1
  C  C448  1  0.251261  0.539720  0.353276  1
  C  C449  1  0.879771  0.576178  0.331325  1
  C  C450  1  0.507246  0.627414  0.307147  1
  C  C451  1  0.688996  0.106650  0.318696  1
  C  C452  1  0.322757  0.151581  0.297505  1
  C  C453  1  0.065572  0.067487  0.343461  1
  C  C454  1  0.065670  0.567481  0.343483  1
  C  C455  1  0.689049  0.606657  0.318703  1
  C  C456  1  0.322805  0.651531  0.297511  1
  C  C457  1  0.877208  0.689286  0.419024  1
  C  C458  1  0.505533  0.728367  0.396359  1
  C  C459  1  0.133903  0.764871  0.373053  1
  C  C460  1  0.134029  0.264839  0.373056  1
  C  C461  1  0.877381  0.189208  0.419036  1
  C  C462  1  0.505712  0.228375  0.396376  1
  C  C463  1  0.058636  0.164141  0.427681  1
  C  C464  1  0.688907  0.202795  0.404447  1
  C  C465  1  0.316627  0.241564  0.382455  1
  C  C466  1  0.316470  0.741567  0.382451  1
  C  C467  1  0.058456  0.664160  0.427676  1
  C  C468  1  0.688732  0.702865  0.404445  1
  C  C469  1  0.996267  0.961426  0.399698  1
  C  C470  1  0.620718  0.002392  0.375699  1
  C  C471  1  0.365671  0.922564  0.421977  1
  C  C472  1  0.365846  0.422529  0.421998  1
  C  C473  1  0.996416  0.461357  0.399728  1
  C  C474  1  0.620829  0.502396  0.375715  1
  C  C475  1  0.806796  0.990879  0.387867  1
  C  C476  1  0.435864  0.033048  0.365507  1
  C  C477  1  0.180197  0.951561  0.410932  1
  C  C478  1  0.180337  0.451505  0.410942  1
  C  C479  1  0.806899  0.490805  0.387865  1
  C  C480  1  0.435955  0.533040  0.365521  1
  C  C481  1  0.990156  0.569880  0.487173  1
  C  C482  1  0.619515  0.609676  0.464257  1
  C  C483  1  0.247663  0.648187  0.441718  1
  C  C484  1  0.247856  0.148159  0.441723  1
  C  C485  1  0.990398  0.069848  0.487195  1
  C  C486  1  0.619720  0.109638  0.464279  1
  C  C487  1  0.172380  0.045539  0.495853  1
  C  C488  1  0.801355  0.085352  0.473023  1
  C  C489  1  0.430552  0.124077  0.450339  1
  C  C490  1  0.430341  0.624109  0.450336  1
  C  C491  1  0.172117  0.545548  0.495843  1
  C  C492  1  0.801119  0.585386  0.473007  1
  C  C493  1  0.109251  0.843211  0.467974  1
  C  C494  1  0.736469  0.883412  0.444678  1
  C  C495  1  0.479741  0.804267  0.490328  1
  C  C496  1  0.479964  0.304228  0.490351  1
  C  C497  1  0.109445  0.343131  0.467998  1
  C  C498  1  0.736627  0.383345  0.444694  1
  C  C499  1  0.923915  0.874839  0.456734  1
  C  C500  1  0.551141  0.914371  0.433694  1
  C  C501  1  0.294543  0.834196  0.479296  1
  C  C502  1  0.294753  0.334174  0.479308  1
  C  C503  1  0.924104  0.374793  0.456743  1
  C  C504  1  0.551318  0.414368  0.433712  1
  C  C505  1  0.104139  0.451748  0.555602  1
  C  C506  1  0.732427  0.491230  0.532553  1
  C  C507  1  0.361591  0.530173  0.509855  1
  C  C508  1  0.361835  0.030168  0.509879  1
  C  C509  1  0.104434  0.951762  0.555643  1
  C  C510  1  0.732695  0.991178  0.532588  1
  C  C511  1  0.286827  0.926853  0.563883  1
  C  C512  1  0.915251  0.967358  0.541378  1
  C  C513  1  0.543935  0.006158  0.518488  1
  C  C514  1  0.543685  0.506224  0.518480  1
  C  C515  1  0.286566  0.426925  0.563867  1
  C  C516  1  0.914953  0.467395  0.541357  1
  C  C517  1  0.223023  0.724590  0.536155  1
  C  C518  1  0.851415  0.765053  0.513265  1
  C  C519  1  0.593609  0.686145  0.558532  1
  C  C520  1  0.593814  0.186058  0.558556  1
  C  C521  1  0.223276  0.224540  0.536181  1
  C  C522  1  0.851627  0.264968  0.513296  1
  C  C523  1  0.037440  0.755336  0.524927  1
  C  C524  1  0.665707  0.795594  0.501691  1
  C  C525  1  0.408696  0.716092  0.547430  1
  C  C526  1  0.408978  0.216109  0.547447  1
  C  C527  1  0.037684  0.255293  0.524944  1
  C  C528  1  0.665931  0.295554  0.501705  1
  C  C529  1  0.217345  0.330206  0.623355  1
  C  C530  1  0.845763  0.373871  0.600773  1
  C  C531  1  0.475287  0.411533  0.578150  1
  C  C532  1  0.475548  0.911511  0.578186  1
  C  C533  1  0.217578  0.830114  0.623395  1
  C  C534  1  0.846064  0.873707  0.600808  1
  C  C535  1  0.399459  0.808744  0.632453  1
  C  C536  1  0.031072  0.849468  0.609531  1
  C  C537  1  0.657220  0.888369  0.586816  1
  C  C538  1  0.656914  0.388399  0.586795  1
  C  C539  1  0.399120  0.308798  0.632441  1
  C  C540  1  0.030834  0.349531  0.609506  1
  C  C541  1  0.336388  0.605420  0.604442  1
  C  C542  1  0.965200  0.646144  0.581744  1
  C  C543  1  0.707109  0.568607  0.627052  1
  C  C544  1  0.707443  0.068632  0.627086  1
  C  C545  1  0.336591  0.105350  0.604466  1
  C  C546  1  0.965468  0.146016  0.581788  1
  C  C547  1  0.152202  0.637040  0.593189  1
  C  C548  1  0.779717  0.677065  0.569840  1
  C  C549  1  0.522944  0.597892  0.615338  1
  C  C550  1  0.523207  0.097858  0.615359  1
  C  C551  1  0.152542  0.137094  0.593228  1
  C  C552  1  0.779977  0.176981  0.569864  1
  C  C553  1  0.333552  0.214623  0.692442  1
  C  C554  1  0.963091  0.261938  0.669381  1
  C  C555  1  0.588091  0.292474  0.646116  1
  C  C556  1  0.588408  0.792475  0.646165  1
  C  C557  1  0.334004  0.714723  0.692510  1
  C  C558  1  0.963406  0.761912  0.669478  1
  C  C559  1  0.523470  0.691829  0.699698  1
  C  C560  1  0.143051  0.726878  0.677793  1
  C  C561  1  0.775664  0.771014  0.654309  1
  C  C562  1  0.775352  0.271170  0.654295  1
  C  C563  1  0.523271  0.192018  0.699679  1
  C  C564  1  0.142701  0.226918  0.677786  1
  C  C565  1  0.451023  0.488194  0.672961  1
  C  C566  1  0.079706  0.525899  0.650854  1
  C  C567  1  0.822295  0.450897  0.695342  1
  C  C568  1  0.822307  0.950695  0.695363  1
  C  C569  1  0.451332  0.988193  0.672980  1
  C  C570  1  0.080015  0.025874  0.650907  1
  C  C571  1  0.267193  0.518611  0.660594  1
  C  C572  1  0.894309  0.560088  0.637963  1
  C  C573  1  0.636355  0.478647  0.683760  1
  C  C574  1  0.636623  0.978620  0.683770  1
  C  C575  1  0.267417  0.018511  0.660593  1
  C  C576  1  0.894568  0.059932  0.637988  1
