# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.71339480
_cell_length_b   21.01251653
_cell_length_c   51.84155681
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.00437422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe540 C180'
_cell_volume   15966.5216978
_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  0.790040  0.743927  0.353953  1
  Fe  Fe2  1  0.456732  0.410584  0.353950  1
  Fe  Fe3  1  0.392471  0.787244  0.296552  1
  Fe  Fe4  1  0.086892  0.760940  0.325717  1
  Fe  Fe5  1  0.123377  0.077261  0.353955  1
  Fe  Fe6  1  0.059167  0.453886  0.296557  1
  Fe  Fe7  1  0.753567  0.427622  0.325712  1
  Fe  Fe8  1  0.725819  0.120527  0.296557  1
  Fe  Fe9  1  0.420221  0.094282  0.325712  1
  Fe  Fe10  1  0.487801  0.652790  0.324490  1
  Fe  Fe11  1  0.154468  0.319449  0.324489  1
  Fe  Fe12  1  0.188159  0.639141  0.352093  1
  Fe  Fe13  1  0.793509  0.664364  0.294434  1
  Fe  Fe14  1  0.821115  0.986121  0.324497  1
  Fe  Fe15  1  0.854840  0.305785  0.352089  1
  Fe  Fe16  1  0.460170  0.331027  0.294426  1
  Fe  Fe17  1  0.521476  0.972464  0.352093  1
  Fe  Fe18  1  0.126803  0.997694  0.294433  1
  Fe  Fe19  1  0.541084  0.601905  0.289437  1
  Fe  Fe20  1  0.207748  0.268558  0.289435  1
  Fe  Fe21  1  0.235928  0.603634  0.312824  1
  Fe  Fe22  1  0.936214  0.585093  0.344848  1
  Fe  Fe23  1  0.874389  0.935201  0.289445  1
  Fe  Fe24  1  0.902610  0.270299  0.312806  1
  Fe  Fe25  1  0.602888  0.251761  0.344839  1
  Fe  Fe26  1  0.569256  0.936963  0.312819  1
  Fe  Fe27  1  0.269528  0.918429  0.344844  1
  Fe  Fe28  1  0.819255  0.519947  0.364729  1
  Fe  Fe29  1  0.485927  0.186612  0.364723  1
  Fe  Fe30  1  0.418224  0.546553  0.308757  1
  Fe  Fe31  1  0.103595  0.537886  0.330046  1
  Fe  Fe32  1  0.152580  0.853287  0.364730  1
  Fe  Fe33  1  0.084891  0.213212  0.308755  1
  Fe  Fe34  1  0.770260  0.204555  0.330032  1
  Fe  Fe35  1  0.751541  0.879881  0.308764  1
  Fe  Fe36  1  0.436943  0.871219  0.330048  1
  Fe  Fe37  1  0.517871  0.754483  0.334766  1
  Fe  Fe38  1  0.184558  0.421141  0.334769  1
  Fe  Fe39  1  0.216252  0.740681  0.362025  1
  Fe  Fe40  1  0.821157  0.769457  0.305426  1
  Fe  Fe41  1  0.851210  0.087817  0.334772  1
  Fe  Fe42  1  0.882933  0.407330  0.362024  1
  Fe  Fe43  1  0.487834  0.436119  0.305421  1
  Fe  Fe44  1  0.549582  0.074008  0.362025  1
  Fe  Fe45  1  0.154480  0.102786  0.305422  1
  Fe  Fe46  1  0.766948  0.640587  0.347675  1
  Fe  Fe47  1  0.433627  0.307248  0.347667  1
  Fe  Fe48  1  0.372420  0.671827  0.291609  1
  Fe  Fe49  1  0.072948  0.656128  0.319732  1
  Fe  Fe50  1  0.100268  0.973924  0.347675  1
  Fe  Fe51  1  0.039088  0.338494  0.291610  1
  Fe  Fe52  1  0.739620  0.322806  0.319727  1
  Fe  Fe53  1  0.705734  0.005152  0.291616  1
  Fe  Fe54  1  0.406249  0.989463  0.319729  1
  Fe  Fe55  1  0.491572  0.527815  0.348577  1
  Fe  Fe56  1  0.158228  0.194481  0.348579  1
  Fe  Fe57  1  0.194013  0.513748  0.376010  1
  Fe  Fe58  1  0.795103  0.544875  0.320968  1
  Fe  Fe59  1  0.824897  0.861153  0.348581  1
  Fe  Fe60  1  0.860652  0.180416  0.376020  1
  Fe  Fe61  1  0.461770  0.211541  0.320962  1
  Fe  Fe62  1  0.527319  0.847084  0.376008  1
  Fe  Fe63  1  0.128408  0.878206  0.320968  1
  Fe  Fe64  1  0.646899  0.594123  0.326442  1
  Fe  Fe65  1  0.313572  0.260783  0.326436  1
  Fe  Fe66  1  0.341435  0.578601  0.354872  1
  Fe  Fe67  1  0.951185  0.604107  0.298936  1
  Fe  Fe68  1  0.980212  0.927456  0.326445  1
  Fe  Fe69  1  0.008114  0.245268  0.354873  1
  Fe  Fe70  1  0.617863  0.270769  0.298927  1
  Fe  Fe71  1  0.674771  0.911921  0.354879  1
  Fe  Fe72  1  0.284491  0.937440  0.298932  1
  Fe  Fe73  1  0.644499  0.466733  0.363488  1
  Fe  Fe74  1  0.311140  0.133399  0.363491  1
  Fe  Fe75  1  0.246945  0.492885  0.305482  1
  Fe  Fe76  1  0.945975  0.481442  0.334172  1
  Fe  Fe77  1  0.977813  0.800075  0.363495  1
  Fe  Fe78  1  0.913588  0.159548  0.305473  1
  Fe  Fe79  1  0.612622  0.148108  0.334170  1
  Fe  Fe80  1  0.580264  0.826216  0.305477  1
  Fe  Fe81  1  0.279285  0.814778  0.334169  1
  Fe  Fe82  1  0.656435  0.708345  0.314688  1
  Fe  Fe83  1  0.323094  0.375014  0.314683  1
  Fe  Fe84  1  0.351136  0.695934  0.341464  1
  Fe  Fe85  1  0.050302  0.681607  0.370743  1
  Fe  Fe86  1  0.989716  0.041683  0.314685  1
  Fe  Fe87  1  0.017820  0.362594  0.341463  1
  Fe  Fe88  1  0.716969  0.348267  0.370736  1
  Fe  Fe89  1  0.684474  0.029270  0.341468  1
  Fe  Fe90  1  0.383618  0.014939  0.370740  1
  Fe  Fe91  1  0.639072  0.490595  0.309999  1
  Fe  Fe92  1  0.305728  0.157261  0.310002  1
  Fe  Fe93  1  0.346224  0.473911  0.340653  1
  Fe  Fe94  1  0.047088  0.461393  0.369859  1
  Fe  Fe95  1  0.972398  0.823927  0.310005  1
  Fe  Fe96  1  0.012863  0.140580  0.340652  1
  Fe  Fe97  1  0.713727  0.128063  0.369860  1
  Fe  Fe98  1  0.679534  0.807238  0.340652  1
  Fe  Fe99  1  0.380387  0.794727  0.369853  1
  Fe  Fe100  1  0.620658  0.688038  0.363375  1
  Fe  Fe101  1  0.287340  0.354701  0.363368  1
  Fe  Fe102  1  0.225404  0.721364  0.308121  1
  Fe  Fe103  1  0.924702  0.705490  0.334696  1
  Fe  Fe104  1  0.953984  0.021376  0.363381  1
  Fe  Fe105  1  0.892078  0.388027  0.308130  1
  Fe  Fe106  1  0.591381  0.372156  0.334682  1
  Fe  Fe107  1  0.558715  0.054679  0.308134  1
  Fe  Fe108  1  0.258025  0.038818  0.334690  1
  Fe  Fe109  1  0.882468  0.700129  0.439205  1
  Fe  Fe110  1  0.549154  0.366792  0.439203  1
  Fe  Fe111  1  0.487362  0.728944  0.382145  1
  Fe  Fe112  1  0.185992  0.715759  0.410887  1
  Fe  Fe113  1  0.215811  0.033469  0.439212  1
  Fe  Fe114  1  0.154064  0.395602  0.382147  1
  Fe  Fe115  1  0.852667  0.382421  0.410883  1
  Fe  Fe116  1  0.820711  0.062288  0.382153  1
  Fe  Fe117  1  0.519313  0.049088  0.410886  1
  Fe  Fe118  1  0.582642  0.611272  0.409799  1
  Fe  Fe119  1  0.249326  0.277942  0.409796  1
  Fe  Fe120  1  0.279920  0.596539  0.438296  1
  Fe  Fe121  1  0.885190  0.626310  0.381547  1
  Fe  Fe122  1  0.915973  0.944608  0.409804  1
  Fe  Fe123  1  0.946596  0.263194  0.438302  1
  Fe  Fe124  1  0.551867  0.292974  0.381538  1
  Fe  Fe125  1  0.613250  0.929861  0.438301  1
  Fe  Fe126  1  0.218521  0.959647  0.381545  1
  Fe  Fe127  1  0.633733  0.570505  0.373010  1
  Fe  Fe128  1  0.300408  0.237167  0.373008  1
  Fe  Fe129  1  0.330942  0.556648  0.401397  1
  Fe  Fe130  1  0.028333  0.541707  0.429683  1
  Fe  Fe131  1  0.967062  0.903843  0.373015  1
  Fe  Fe132  1  0.997626  0.223310  0.401402  1
  Fe  Fe133  1  0.695004  0.208375  0.429676  1
  Fe  Fe134  1  0.664268  0.889979  0.401399  1
  Fe  Fe135  1  0.361656  0.875047  0.429684  1
  Fe  Fe136  1  0.911142  0.475140  0.449601  1
  Fe  Fe137  1  0.577810  0.141802  0.449599  1
  Fe  Fe138  1  0.516080  0.504767  0.393128  1
  Fe  Fe139  1  0.213854  0.490246  0.421300  1
  Fe  Fe140  1  0.244476  0.808476  0.449604  1
  Fe  Fe141  1  0.182759  0.171434  0.393128  1
  Fe  Fe142  1  0.880544  0.156904  0.421306  1
  Fe  Fe143  1  0.849415  0.838101  0.393132  1
  Fe  Fe144  1  0.547182  0.823582  0.421301  1
  Fe  Fe145  1  0.609876  0.711730  0.419570  1
  Fe  Fe146  1  0.276561  0.378399  0.419571  1
  Fe  Fe147  1  0.307244  0.697231  0.447507  1
  Fe  Fe148  1  0.913367  0.727179  0.390897  1
  Fe  Fe149  1  0.943215  0.045069  0.419577  1
  Fe  Fe150  1  0.973919  0.363892  0.447507  1
  Fe  Fe151  1  0.580051  0.393843  0.390891  1
  Fe  Fe152  1  0.640573  0.030556  0.447511  1
  Fe  Fe153  1  0.246702  0.060514  0.390896  1
  Fe  Fe154  1  0.857429  0.596894  0.433156  1
  Fe  Fe155  1  0.524097  0.263558  0.433150  1
  Fe  Fe156  1  0.462413  0.625876  0.376059  1
  Fe  Fe157  1  0.160001  0.612388  0.405050  1
  Fe  Fe158  1  0.190758  0.930233  0.433158  1
  Fe  Fe159  1  0.129098  0.292531  0.376058  1
  Fe  Fe160  1  0.826659  0.279052  0.405045  1
  Fe  Fe161  1  0.795739  0.959219  0.376065  1
  Fe  Fe162  1  0.493314  0.945718  0.405048  1
  Fe  Fe163  1  0.587143  0.483772  0.433920  1
  Fe  Fe164  1  0.253798  0.150441  0.433928  1
  Fe  Fe165  1  0.284764  0.469042  0.462121  1
  Fe  Fe166  1  0.890626  0.498809  0.405498  1
  Fe  Fe167  1  0.920468  0.817109  0.433924  1
  Fe  Fe168  1  0.951426  0.135710  0.462129  1
  Fe  Fe169  1  0.557268  0.165473  0.405500  1
  Fe  Fe170  1  0.618084  0.802375  0.462123  1
  Fe  Fe171  1  0.223939  0.832146  0.405503  1
  Fe  Fe172  1  0.737149  0.549640  0.411468  1
  Fe  Fe173  1  0.403805  0.216312  0.411462  1
  Fe  Fe174  1  0.434387  0.534472  0.439730  1
  Fe  Fe175  1  0.040351  0.564041  0.383296  1
  Fe  Fe176  1  0.070473  0.882979  0.411468  1
  Fe  Fe177  1  0.101067  0.201138  0.439733  1
  Fe  Fe178  1  0.707017  0.230708  0.383288  1
  Fe  Fe179  1  0.767725  0.867804  0.439734  1
  Fe  Fe180  1  0.373665  0.897380  0.383294  1
  Fe  Fe181  1  0.734837  0.422760  0.449504  1
  Fe  Fe182  1  0.401490  0.089420  0.449508  1
  Fe  Fe183  1  0.341228  0.452869  0.392683  1
  Fe  Fe184  1  0.037638  0.437885  0.420602  1
  Fe  Fe185  1  0.068160  0.756090  0.449508  1
  Fe  Fe186  1  0.007878  0.119533  0.392688  1
  Fe  Fe187  1  0.704287  0.104547  0.420605  1
  Fe  Fe188  1  0.674543  0.786204  0.392681  1
  Fe  Fe189  1  0.370959  0.771223  0.420602  1
  Fe  Fe190  1  0.746759  0.666439  0.398649  1
  Fe  Fe191  1  0.413440  0.333101  0.398646  1
  Fe  Fe192  1  0.444587  0.651976  0.426788  1
  Fe  Fe193  1  0.141915  0.636717  0.455366  1
  Fe  Fe194  1  0.080100  -0.000226  0.398655  1
  Fe  Fe195  1  0.111277  0.318637  0.426794  1
  Fe  Fe196  1  0.808571  0.303382  0.455358  1
  Fe  Fe197  1  0.777916  0.985304  0.426794  1
  Fe  Fe198  1  0.475239  0.970048  0.455369  1
  Fe  Fe199  1  0.744127  0.446493  0.398695  1
  Fe  Fe200  1  0.410770  0.113160  0.398695  1
  Fe  Fe201  1  0.441237  0.431098  0.426951  1
  Fe  Fe202  1  0.138348  0.416021  0.455128  1
  Fe  Fe203  1  0.077448  0.779834  0.398700  1
  Fe  Fe204  1  0.107888  0.097766  0.426958  1
  Fe  Fe205  1  0.805009  0.082690  0.455135  1
  Fe  Fe206  1  0.774559  0.764437  0.426955  1
  Fe  Fe207  1  0.471668  0.749362  0.455126  1
  Fe  Fe208  1  0.713257  0.644874  0.448604  1
  Fe  Fe209  1  0.379935  0.311540  0.448600  1
  Fe  Fe210  1  0.319276  0.675210  0.391636  1
  Fe  Fe211  1  0.016178  0.659983  0.420314  1
  Fe  Fe212  1  0.046589  0.978204  0.448613  1
  Fe  Fe213  1  0.985966  0.341870  0.391633  1
  Fe  Fe214  1  0.682845  0.326645  0.420304  1
  Fe  Fe215  1  0.652611  0.008535  0.391638  1
  Fe  Fe216  1  0.349498  0.993316  0.420316  1
  Fe  Fe217  1  0.975043  0.654663  0.524660  1
  Fe  Fe218  1  0.641726  0.321327  0.524664  1
  Fe  Fe219  1  0.579391  0.685177  0.467465  1
  Fe  Fe220  1  0.277709  0.669995  0.496109  1
  Fe  Fe221  1  0.308387  0.987995  0.524667  1
  Fe  Fe222  1  0.246080  0.351843  0.467466  1
  Fe  Fe223  1  0.944368  0.336658  0.496103  1
  Fe  Fe224  1  0.912734  0.018508  0.467474  1
  Fe  Fe225  1  0.611021  0.003321  0.496106  1
  Fe  Fe226  1  0.673451  0.566720  0.495080  1
  Fe  Fe227  1  0.340139  0.233394  0.495080  1
  Fe  Fe228  1  0.370003  0.552624  0.523492  1
  Fe  Fe229  1  0.976964  0.581494  0.466584  1
  Fe  Fe230  1  0.006797  0.900068  0.495082  1
  Fe  Fe231  1  0.036684  0.219288  0.523496  1
  Fe  Fe232  1  0.643630  0.248162  0.466574  1
  Fe  Fe233  1  0.703352  0.885946  0.523498  1
  Fe  Fe234  1  0.310292  0.914834  0.466585  1
  Fe  Fe235  1  0.725240  0.526933  0.458210  1
  Fe  Fe236  1  0.391904  0.193596  0.458210  1
  Fe  Fe237  1  0.422015  0.512014  0.486685  1
  Fe  Fe238  1  0.118558  0.497075  0.515231  1
  Fe  Fe239  1  0.058571  0.860263  0.458212  1
  Fe  Fe240  1  0.088699  0.178675  0.486693  1
  Fe  Fe241  1  0.785240  0.163749  0.515217  1
  Fe  Fe242  1  0.755361  0.845340  0.486689  1
  Fe  Fe243  1  0.451907  0.830409  0.515224  1
  Fe  Fe244  1  0.002810  0.431323  0.534848  1
  Fe  Fe245  1  0.669472  0.097981  0.534838  1
  Fe  Fe246  1  0.608184  0.460015  0.478113  1
  Fe  Fe247  1  0.306141  0.445898  0.506499  1
  Fe  Fe248  1  0.336153  0.764647  0.534842  1
  Fe  Fe249  1  0.274848  0.126689  0.478119  1
  Fe  Fe250  1  0.972799  0.112565  0.506509  1
  Fe  Fe251  1  0.941506  0.793356  0.478117  1
  Fe  Fe252  1  0.639471  0.779227  0.506503  1
  Fe  Fe253  1  0.700850  0.667253  0.504710  1
  Fe  Fe254  1  0.367534  0.333927  0.504712  1
  Fe  Fe255  1  0.397075  0.653795  0.533246  1
  Fe  Fe256  1  0.004316  0.681980  0.476337  1
  Fe  Fe257  1  0.034200  0.000600  0.504724  1
  Fe  Fe258  1  0.063777  0.320466  0.533248  1
  Fe  Fe259  1  0.670996  0.348647  0.476332  1
  Fe  Fe260  1  0.730439  0.987127  0.533258  1
  Fe  Fe261  1  0.337652  0.015319  0.476340  1
  Fe  Fe262  1  0.949912  0.551214  0.518241  1
  Fe  Fe263  1  0.616570  0.217890  0.518230  1
  Fe  Fe264  1  0.554777  0.581555  0.461643  1
  Fe  Fe265  1  0.252382  0.566651  0.489965  1
  Fe  Fe266  1  0.283247  0.884553  0.518241  1
  Fe  Fe267  1  0.221462  0.248215  0.461648  1
  Fe  Fe268  1  0.919044  0.233312  0.489963  1
  Fe  Fe269  1  0.888111  0.914891  0.461647  1
  Fe  Fe270  1  0.585707  0.899982  0.489966  1
  Fe  Fe271  1  0.681732  0.439621  0.517253  1
  Fe  Fe272  1  0.348408  0.106296  0.517255  1
  Fe  Fe273  1  0.379660  0.426061  0.545452  1
  Fe  Fe274  1  0.981669  0.453799  0.490524  1
  Fe  Fe275  1  0.015080  0.772966  0.517247  1
  Fe  Fe276  1  0.046336  0.092734  0.545458  1
  Fe  Fe277  1  0.648334  0.120467  0.490524  1
  Fe  Fe278  1  0.712976  0.759383  0.545456  1
  Fe  Fe279  1  0.315007  0.787134  0.490527  1
  Fe  Fe280  1  0.830175  0.503250  0.496327  1
  Fe  Fe281  1  0.496817  0.169929  0.496322  1
  Fe  Fe282  1  0.529342  0.488881  0.525165  1
  Fe  Fe283  1  0.132386  0.518945  0.468189  1
  Fe  Fe284  1  0.163512  0.836586  0.496330  1
  Fe  Fe285  1  0.196017  0.155560  0.525175  1
  Fe  Fe286  1  0.799059  0.185612  0.468184  1
  Fe  Fe287  1  0.862685  0.822222  0.525171  1
  Fe  Fe288  1  0.465720  0.852282  0.468189  1
  Fe  Fe289  1  0.823993  0.378660  0.535449  1
  Fe  Fe290  1  0.490665  0.045335  0.535453  1
  Fe  Fe291  1  0.432098  0.407844  0.477802  1
  Fe  Fe292  1  0.128436  0.393219  0.506095  1
  Fe  Fe293  1  0.157302  0.712009  0.535457  1
  Fe  Fe294  1  0.098755  0.074512  0.477811  1
  Fe  Fe295  1  0.795093  0.059878  0.506103  1
  Fe  Fe296  1  0.765417  0.741179  0.477801  1
  Fe  Fe297  1  0.461750  0.726548  0.506098  1
  Fe  Fe298  1  0.838931  0.621553  0.483624  1
  Fe  Fe299  1  0.505595  0.288214  0.483621  1
  Fe  Fe300  1  0.533402  0.607736  0.510888  1
  Fe  Fe301  1  0.229866  0.593136  0.539207  1
  Fe  Fe302  1  0.172264  0.954886  0.483628  1
  Fe  Fe303  1  0.200122  0.274405  0.510909  1
  Fe  Fe304  1  0.896624  0.259802  0.539231  1
  Fe  Fe305  1  0.866794  0.941067  0.510912  1
  Fe  Fe306  1  0.563276  0.926458  0.539226  1
  Fe  Fe307  1  0.836094  0.400718  0.483889  1
  Fe  Fe308  1  0.502755  0.067388  0.483893  1
  Fe  Fe309  1  0.535030  0.386174  0.512348  1
  Fe  Fe310  1  0.232092  0.372241  0.540639  1
  Fe  Fe311  1  0.169432  0.734053  0.483895  1
  Fe  Fe312  1  0.201690  0.052853  0.512357  1
  Fe  Fe313  1  0.898774  0.038905  0.540647  1
  Fe  Fe314  1  0.868354  0.719525  0.512349  1
  Fe  Fe315  1  0.565418  0.705569  0.540639  1
  Fe  Fe316  1  0.807133  0.600596  0.533196  1
  Fe  Fe317  1  0.473823  0.267267  0.533196  1
  Fe  Fe318  1  0.410996  0.630098  0.476875  1
  Fe  Fe319  1  0.108977  0.614013  0.505456  1
  Fe  Fe320  1  0.140489  0.933927  0.533209  1
  Fe  Fe321  1  0.077661  0.296760  0.476888  1
  Fe  Fe322  1  0.775658  0.280680  0.505444  1
  Fe  Fe323  1  0.744313  0.963419  0.476894  1
  Fe  Fe324  1  0.442300  0.947344  0.505465  1
  Fe  Fe325  1  0.069818  0.612472  0.610384  1
  Fe  Fe326  1  0.736563  0.279129  0.610387  1
  Fe  Fe327  1  0.672750  0.640184  0.552756  1
  Fe  Fe328  1  0.371259  0.625772  0.581434  1
  Fe  Fe329  1  0.403241  0.945809  0.610379  1
  Fe  Fe330  1  0.339411  0.306862  0.552756  1
  Fe  Fe331  1  0.037944  0.292470  0.581442  1
  Fe  Fe332  1  0.006089  0.973512  0.552763  1
  Fe  Fe333  1  0.704615  0.959107  0.581438  1
  Fe  Fe334  1  0.762107  0.524695  0.580829  1
  Fe  Fe335  1  0.428795  0.191349  0.580834  1
  Fe  Fe336  1  0.455113  0.512242  0.609728  1
  Fe  Fe337  1  0.064656  0.538301  0.551752  1
  Fe  Fe338  1  0.095460  0.858013  0.580832  1
  Fe  Fe339  1  0.121818  0.178995  0.609736  1
  Fe  Fe340  1  0.731328  0.204974  0.551735  1
  Fe  Fe341  1  0.788450  0.845613  0.609740  1
  Fe  Fe342  1  0.398002  0.871655  0.551741  1
  Fe  Fe343  1  0.812129  0.481927  0.544732  1
  Fe  Fe344  1  0.478795  0.148596  0.544735  1
  Fe  Fe345  1  0.508153  0.468512  0.573745  1
  Fe  Fe346  1  0.202885  0.454285  0.602083  1
  Fe  Fe347  1  0.145481  0.815275  0.544732  1
  Fe  Fe348  1  0.174837  0.135184  0.573749  1
  Fe  Fe349  1  0.869627  0.120995  0.602057  1
  Fe  Fe350  1  0.841493  0.801855  0.573759  1
  Fe  Fe351  1  0.536230  0.787632  0.602065  1
  Fe  Fe352  1  0.059555  0.395115  0.616542  1
  Fe  Fe353  1  0.726301  0.061739  0.616536  1
  Fe  Fe354  1  0.671165  0.422127  0.560036  1
  Fe  Fe355  1  0.365385  0.407567  0.588018  1
  Fe  Fe356  1  0.392890  0.728315  0.616505  1
  Fe  Fe357  1  0.337770  0.088811  0.560033  1
  Fe  Fe358  1  0.032109  0.074232  0.588030  1
  Fe  Fe359  1  0.004424  0.755477  0.560025  1
  Fe  Fe360  1  0.698666  0.740907  0.588020  1
  Fe  Fe361  1  0.787543  0.626762  0.590598  1
  Fe  Fe362  1  0.454261  0.293417  0.590602  1
  Fe  Fe363  1  0.482054  0.614711  0.619798  1
  Fe  Fe364  1  0.092385  0.639944  0.562494  1
  Fe  Fe365  1  0.120939  0.960073  0.590616  1
  Fe  Fe366  1  0.148743  0.281442  0.619802  1
  Fe  Fe367  1  0.759115  0.306612  0.562499  1
  Fe  Fe368  1  0.815431  0.948079  0.619803  1
  Fe  Fe369  1  0.425780  0.973300  0.562504  1
  Fe  Fe370  1  0.044446  0.509054  0.603534  1
  Fe  Fe371  1  0.711120  0.175714  0.603516  1
  Fe  Fe372  1  0.648786  0.537462  0.546343  1
  Fe  Fe373  1  0.346003  0.522980  0.574616  1
  Fe  Fe374  1  0.377779  0.842337  0.603535  1
  Fe  Fe375  1  0.315466  0.204133  0.546354  1
  Fe  Fe376  1  0.012658  0.189680  0.574618  1
  Fe  Fe377  1  0.982127  0.870789  0.546350  1
  Fe  Fe378  1  0.679313  0.856326  0.574614  1
  Fe  Fe379  1  0.784326  0.405746  0.594164  1
  Fe  Fe380  1  0.450978  0.072414  0.594163  1
  Fe  Fe381  1  0.483784  0.393709  0.621410  1
  Fe  Fe382  1  0.076885  0.412316  0.573745  1
  Fe  Fe383  1  0.117669  0.739057  0.594136  1
  Fe  Fe384  1  0.150501  0.060346  0.621418  1
  Fe  Fe385  1  0.743546  0.078957  0.573741  1
  Fe  Fe386  1  0.817049  0.727046  0.621425  1
  Fe  Fe387  1  0.410270  0.745630  0.573722  1
  Fe  Fe388  1  0.923492  0.462599  0.582640  1
  Fe  Fe389  1  0.590154  0.129268  0.582627  1
  Fe  Fe390  1  0.623946  0.450784  0.611233  1
  Fe  Fe391  1  0.226075  0.474857  0.553671  1
  Fe  Fe392  1  0.256814  0.795884  0.582628  1
  Fe  Fe393  1  0.290630  0.117416  0.611236  1
  Fe  Fe394  1  0.892787  0.141500  0.553669  1
  Fe  Fe395  1  0.957276  0.784104  0.611237  1
  Fe  Fe396  1  0.559404  0.808176  0.553669  1
  Fe  Fe397  1  0.911163  0.339910  0.621377  1
  Fe  Fe398  1  0.577860  0.006550  0.621377  1
  Fe  Fe399  1  0.520699  0.366848  0.563624  1
  Fe  Fe400  1  0.216180  0.352833  0.592292  1
  Fe  Fe401  1  0.244443  0.673092  0.621376  1
  Fe  Fe402  1  0.187357  0.033517  0.563642  1
  Fe  Fe403  1  0.882868  0.019517  0.592300  1
  Fe  Fe404  1  0.853989  0.700210  0.563626  1
  Fe  Fe405  1  0.549463  0.686167  0.592298  1
  Fe  Fe406  1  0.921087  0.579044  0.566127  1
  Fe  Fe407  1  0.587774  0.245696  0.566127  1
  Fe  Fe408  1  0.588446  0.571875  0.590744  1
  Fe  Fe409  1  0.286084  0.557988  0.619084  1
  Fe  Fe410  1  0.254506  0.912363  0.566139  1
  Fe  Fe411  1  0.255121  0.238560  0.590751  1
  Fe  Fe412  1  0.952951  0.224715  0.619088  1
  Fe  Fe413  1  0.921818  0.905222  0.590759  1
  Fe  Fe414  1  0.619539  0.891384  0.619088  1
  Fe  Fe415  1  0.930370  0.358565  0.569273  1
  Fe  Fe416  1  0.597071  0.025237  0.569274  1
  Fe  Fe417  1  0.632301  0.349386  0.597725  1
  Fe  Fe418  1  0.330388  0.334898  0.625773  1
  Fe  Fe419  1  0.263702  0.691874  0.569280  1
  Fe  Fe420  1  0.298950  0.016025  0.597729  1
  Fe  Fe421  1  0.997074  0.001569  0.625779  1
  Fe  Fe422  1  0.965584  0.682716  0.597721  1
  Fe  Fe423  1  0.663658  0.668222  0.625774  1
  Fe  Fe424  1  0.909779  0.566019  0.608750  1
  Fe  Fe425  1  0.576496  0.232673  0.608756  1
  Fe  Fe426  1  0.507781  0.590204  0.555015  1
  Fe  Fe427  1  0.205737  0.576180  0.582962  1
  Fe  Fe428  1  0.243173  0.899289  0.608761  1
  Fe  Fe429  1  0.174390  0.256886  0.555050  1
  Fe  Fe430  1  0.872293  0.242817  0.583037  1
  Fe  Fe431  1  0.841055  0.923527  0.555057  1
  Fe  Fe432  1  0.538982  0.909510  0.583012  1
  Fe  Fe433  1  0.167162  0.574438  0.695465  1
  Fe  Fe434  1  0.833976  0.241164  0.695462  1
  Fe  Fe435  1  0.770695  0.602722  0.638646  1
  Fe  Fe436  1  0.470437  0.589415  0.667768  1
  Fe  Fe437  1  0.500656  0.907827  0.695465  1
  Fe  Fe438  1  0.437395  0.269369  0.638633  1
  Fe  Fe439  1  0.137076  0.256079  0.667728  1
  Fe  Fe440  1  0.104051  0.936006  0.638632  1
  Fe  Fe441  1  0.803744  0.922752  0.667728  1
  Fe  Fe442  1  0.847124  0.479571  0.668831  1
  Fe  Fe443  1  0.513839  0.146235  0.668808  1
  Fe  Fe444  1  0.545088  0.469945  0.696397  1
  Fe  Fe445  1  0.151628  0.498045  0.638220  1
  Fe  Fe446  1  0.180486  0.812861  0.668803  1
  Fe  Fe447  1  0.211764  0.136540  0.696388  1
  Fe  Fe448  1  0.818347  0.164789  0.638180  1
  Fe  Fe449  1  0.878366  0.803205  0.696389  1
  Fe  Fe450  1  0.484910  0.831403  0.638195  1
  Fe  Fe451  1  0.898920  0.440607  0.631539  1
  Fe  Fe452  1  0.565651  0.107250  0.631530  1
  Fe  Fe453  1  0.594379  0.424950  0.658392  1
  Fe  Fe454  1  0.292431  0.413508  0.687553  1
  Fe  Fe455  1  0.232226  0.773807  0.631515  1
  Fe  Fe456  1  0.261062  0.091632  0.658392  1
  Fe  Fe457  1  0.959058  0.080251  0.687547  1
  Fe  Fe458  1  0.927706  0.758275  0.658397  1
  Fe  Fe459  1  0.625702  0.746798  0.687512  1
  Fe  Fe460  1  0.153108  0.350712  0.697932  1
  Fe  Fe461  1  0.819652  0.017391  0.697900  1
  Fe  Fe462  1  0.751263  0.379551  0.642920  1
  Fe  Fe463  1  0.447016  0.365086  0.670152  1
  Fe  Fe464  1  0.486181  0.684059  0.697896  1
  Fe  Fe465  1  0.418016  0.046196  0.642930  1
  Fe  Fe466  1  0.113672  0.031752  0.670150  1
  Fe  Fe467  1  0.084557  0.712842  0.642916  1
  Fe  Fe468  1  0.780289  0.698414  0.670142  1
  Fe  Fe469  1  0.873435  0.583745  0.679501  1
  Fe  Fe470  1  0.540201  0.250418  0.679483  1
  Fe  Fe471  1  0.571673  0.578484  0.709914  1
  Fe  Fe472  1  0.178069  0.600214  0.648484  1
  Fe  Fe473  1  0.206880  0.917057  0.679410  1
  Fe  Fe474  1  0.238424  0.245050  0.709827  1
  Fe  Fe475  1  0.844835  0.266955  0.648479  1
  Fe  Fe476  1  0.905062  0.911754  0.709786  1
  Fe  Fe477  1  0.511518  0.933604  0.648480  1
  Fe  Fe478  1  0.143923  0.466440  0.689800  1
  Fe  Fe479  1  0.810580  0.133174  0.689774  1
  Fe  Fe480  1  0.744777  0.496550  0.633171  1
  Fe  Fe481  1  0.442996  0.483414  0.661181  1
  Fe  Fe482  1  0.477311  0.799796  0.689801  1
  Fe  Fe483  1  0.411447  0.163195  0.633166  1
  Fe  Fe484  1  0.109655  0.150053  0.661174  1
  Fe  Fe485  1  0.078124  0.829842  0.633169  1
  Fe  Fe486  1  0.776269  0.816736  0.661169  1
  Fe  Fe487  1  0.881140  0.364255  0.677367  1
  Fe  Fe488  1  0.547823  0.030916  0.677359  1
  Fe  Fe489  1  0.587141  0.353115  0.698706  1
  Fe  Fe490  1  0.182710  0.378655  0.649330  1
  Fe  Fe491  1  0.214450  0.697521  0.677359  1
  Fe  Fe492  1  0.253789  0.019717  0.698704  1
  Fe  Fe493  1  0.849434  0.045330  0.649316  1
  Fe  Fe494  1  0.920396  0.686466  0.698727  1
  Fe  Fe495  1  0.516026  0.711973  0.649329  1
  Fe  Fe496  1  0.022406  0.421760  0.668490  1
  Fe  Fe497  1  0.689078  0.088414  0.668473  1
  Fe  Fe498  1  0.721183  0.415862  0.699017  1
  Fe  Fe499  1  0.323076  0.435637  0.639275  1
  Fe  Fe500  1  0.355813  0.754955  0.668473  1
  Fe  Fe501  1  0.387878  0.082385  0.698996  1
  Fe  Fe502  1  0.989755  0.102303  0.639268  1
  Fe  Fe503  1  0.054574  0.749130  0.699011  1
  Fe  Fe504  1  0.656370  0.768953  0.639261  1
  Fe  Fe505  1  0.007423  0.309249  0.704749  1
  Fe  Fe506  1  0.674008  0.975905  0.704770  1
  Fe  Fe507  1  0.604866  0.322260  0.649817  1
  Fe  Fe508  1  0.301849  0.308798  0.678550  1
  Fe  Fe509  1  0.340559  0.642486  0.704776  1
  Fe  Fe510  1  0.271579  0.988947  0.649817  1
  Fe  Fe511  1  0.968531  0.975494  0.678547  1
  Fe  Fe512  1  0.938127  0.655573  0.649822  1
  Fe  Fe513  1  0.635051  0.642079  0.678559  1
  Fe  Fe514  1  0.978506  0.543779  0.648408  1
  Fe  Fe515  1  0.645327  0.210448  0.648393  1
  Fe  Fe516  1  0.678223  0.528030  0.676096  1
  Fe  Fe517  1  0.377702  0.513959  0.703368  1
  Fe  Fe518  1  0.312091  0.877058  0.648370  1
  Fe  Fe519  1  0.344958  0.194699  0.676084  1
  Fe  Fe520  1  0.044362  0.180646  0.703343  1
  Fe  Fe521  1  0.011640  0.861357  0.676088  1
  Fe  Fe522  1  0.711004  0.847313  0.703341  1
  Fe  Fe523  1  0.028779  0.321434  0.654417  1
  Fe  Fe524  1  0.695445  0.988086  0.654412  1
  Fe  Fe525  1  0.726729  0.308325  0.683174  1
  Fe  Fe526  1  0.423828  0.292908  0.711513  1
  Fe  Fe527  1  0.362020  0.654616  0.654416  1
  Fe  Fe528  1  0.393380  0.974921  0.683173  1
  Fe  Fe529  1  0.090443  0.959560  0.711513  1
  Fe  Fe530  1  0.059946  0.641608  0.683175  1
  Fe  Fe531  1  0.757023  0.626244  0.711526  1
  Fe  Fe532  1  0.001484  0.524888  0.692522  1
  Fe  Fe533  1  0.668213  0.191538  0.692501  1
  Fe  Fe534  1  0.610821  0.553005  0.635121  1
  Fe  Fe535  1  0.308940  0.538446  0.663335  1
  Fe  Fe536  1  0.334961  0.858136  0.692480  1
  Fe  Fe537  1  0.277477  0.219678  0.635129  1
  Fe  Fe538  1  0.975563  0.205161  0.663327  1
  Fe  Fe539  1  0.944161  0.886336  0.635131  1
  Fe  Fe540  1  0.642197  0.871809  0.663325  1
  C  C541  1  0.555605  0.457920  0.336314  1
  C  C542  1  0.222253  0.124583  0.336315  1
  C  C543  1  0.255531  0.441412  0.365058  1
  C  C544  1  0.853480  0.473109  0.307933  1
  C  C545  1  0.888925  0.791254  0.336319  1
  C  C546  1  0.922180  0.108089  0.365062  1
  C  C547  1  0.520134  0.139766  0.307929  1
  C  C548  1  0.588839  0.774748  0.365058  1
  C  C549  1  0.186781  0.806440  0.307932  1
  C  C550  1  0.698336  0.793757  0.304436  1
  C  C551  1  0.365017  0.460426  0.304437  1
  C  C552  1  0.397227  0.782082  0.333514  1
  C  C553  1  0.095822  0.767620  0.362397  1
  C  C554  1  0.031663  0.127090  0.304437  1
  C  C555  1  0.063915  0.448743  0.333520  1
  C  C556  1  0.762507  0.434278  0.362392  1
  C  C557  1  0.730568  0.115417  0.333521  1
  C  C558  1  0.429152  0.100950  0.362393  1
  C  C559  1  0.666429  0.634421  0.293390  1
  C  C560  1  0.333090  0.301087  0.293386  1
  C  C561  1  0.362469  0.619208  0.321956  1
  C  C562  1  0.063591  0.605957  0.350741  1
  C  C563  1  0.999726  0.967752  0.293393  1
  C  C564  1  0.029136  0.285867  0.321955  1
  C  C565  1  0.730267  0.272620  0.350733  1
  C  C566  1  0.695784  0.952535  0.321964  1
  C  C567  1  0.396907  0.939290  0.350737  1
  C  C568  1  0.553404  0.612048  0.350583  1
  C  C569  1  0.220080  0.278707  0.350580  1
  C  C570  1  0.157386  0.650329  0.291722  1
  C  C571  1  0.858834  0.628641  0.322225  1
  C  C572  1  0.886728  0.945385  0.350589  1
  C  C573  1  0.824056  0.317016  0.291716  1
  C  C574  1  0.525507  0.295305  0.322216  1
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