# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.78955665
_cell_length_b   15.35477840
_cell_length_c   50.93831979
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   53.47242637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe432 C144'
_cell_volume   13066.4432352
_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  0.338030  0.453882  0.318853  1
  Fe  Fe2  1  0.004696  0.453882  0.318853  1
  Fe  Fe3  1  0.296537  0.217970  0.355960  1
  Fe  Fe4  1  0.671363  0.453882  0.318853  1
  Fe  Fe5  1  0.963204  0.217970  0.355960  1
  Fe  Fe6  1  0.388145  0.680556  0.282276  1
  Fe  Fe7  1  0.629871  0.217970  0.355960  1
  Fe  Fe8  1  0.054812  0.680556  0.282276  1
  Fe  Fe9  1  0.721479  0.680556  0.282276  1
  Fe  Fe10  1  0.493994  0.030887  0.331021  1
  Fe  Fe11  1  0.160661  0.030887  0.331021  1
  Fe  Fe12  1  0.451450  0.792685  0.368324  1
  Fe  Fe13  1  0.827327  0.030887  0.331021  1
  Fe  Fe14  1  0.118117  0.792685  0.368324  1
  Fe  Fe15  1  0.538377  0.262778  0.293201  1
  Fe  Fe16  1  0.784784  0.792685  0.368324  1
  Fe  Fe17  1  0.205044  0.262778  0.293201  1
  Fe  Fe18  1  0.871710  0.262778  0.293201  1
  Fe  Fe19  1  0.430026  0.130437  0.290767  1
  Fe  Fe20  1  0.096693  0.130437  0.290767  1
  Fe  Fe21  1  0.385857  0.899565  0.330488  1
  Fe  Fe22  1  0.763360  0.130437  0.290767  1
  Fe  Fe23  1  0.052524  0.899565  0.330488  1
  Fe  Fe24  1  0.341797  0.662113  0.363468  1
  Fe  Fe25  1  0.719190  0.899565  0.330488  1
  Fe  Fe26  1  0.008464  0.662113  0.363468  1
  Fe  Fe27  1  0.675130  0.662113  0.363468  1
  Fe  Fe28  1  0.373727  0.485209  0.364567  1
  Fe  Fe29  1  0.040394  0.485209  0.364567  1
  Fe  Fe30  1  0.461149  0.946225  0.290891  1
  Fe  Fe31  1  0.707060  0.485209  0.364567  1
  Fe  Fe32  1  0.127816  0.946225  0.290891  1
  Fe  Fe33  1  0.419264  0.717495  0.327847  1
  Fe  Fe34  1  0.794482  0.946225  0.290891  1
  Fe  Fe35  1  0.085930  0.717495  0.327847  1
  Fe  Fe36  1  0.752597  0.717495  0.327847  1
  Fe  Fe37  1  0.457323  0.145796  0.366775  1
  Fe  Fe38  1  0.123989  0.145796  0.366775  1
  Fe  Fe39  1  0.542015  0.621294  0.292296  1
  Fe  Fe40  1  0.790656  0.145796  0.366775  1
  Fe  Fe41  1  0.208682  0.621294  0.292296  1
  Fe  Fe42  1  0.503339  0.376925  0.329577  1
  Fe  Fe43  1  0.875348  0.621294  0.292296  1
  Fe  Fe44  1  0.170006  0.376925  0.329577  1
  Fe  Fe45  1  0.836673  0.376925  0.329577  1
  Fe  Fe46  1  0.390210  0.324044  0.284479  1
  Fe  Fe47  1  0.056877  0.324044  0.284479  1
  Fe  Fe48  1  0.347071  0.093094  0.321623  1
  Fe  Fe49  1  0.723543  0.324044  0.284479  1
  Fe  Fe50  1  0.013737  0.093094  0.321623  1
  Fe  Fe51  1  0.304083  0.860726  0.358218  1
  Fe  Fe52  1  0.680404  0.093094  0.321623  1
  Fe  Fe53  1  0.970750  0.860726  0.358218  1
  Fe  Fe54  1  0.637416  0.860726  0.358218  1
  Fe  Fe55  1  0.616128  0.867157  0.306082  1
  Fe  Fe56  1  0.282795  0.867157  0.306082  1
  Fe  Fe57  1  0.569060  0.642675  0.342107  1
  Fe  Fe58  1  0.949461  0.867157  0.306082  1
  Fe  Fe59  1  0.235727  0.642675  0.342107  1
  Fe  Fe60  1  0.523579  0.409796  0.378946  1
  Fe  Fe61  1  0.902393  0.642675  0.342107  1
  Fe  Fe62  1  0.190246  0.409796  0.378946  1
  Fe  Fe63  1  0.856913  0.409796  0.378946  1
  Fe  Fe64  1  0.589998  0.053277  0.301245  1
  Fe  Fe65  1  0.256665  0.053277  0.301245  1
  Fe  Fe66  1  0.546134  0.823605  0.339561  1
  Fe  Fe67  1  0.923332  0.053277  0.301245  1
  Fe  Fe68  1  0.212801  0.823605  0.339561  1
  Fe  Fe69  1  0.501764  0.591122  0.376693  1
  Fe  Fe70  1  0.879468  0.823605  0.339561  1
  Fe  Fe71  1  0.168430  0.591122  0.376693  1
  Fe  Fe72  1  0.835097  0.591122  0.376693  1
  Fe  Fe73  1  0.352620  0.340143  0.360324  1
  Fe  Fe74  1  0.019287  0.340143  0.360324  1
  Fe  Fe75  1  0.412875  0.825043  0.289807  1
  Fe  Fe76  1  0.685953  0.340143  0.360324  1
  Fe  Fe77  1  0.079542  0.825043  0.289807  1
  Fe  Fe78  1  0.395951  0.573866  0.322264  1
  Fe  Fe79  1  0.746209  0.825043  0.289807  1
  Fe  Fe80  1  0.062618  0.573866  0.322264  1
  Fe  Fe81  1  0.729285  0.573866  0.322264  1
  Fe  Fe82  1  0.474035  0.218269  0.327302  1
  Fe  Fe83  1  0.140702  0.218269  0.327302  1
  Fe  Fe84  1  0.428067  0.984530  0.365254  1
  Fe  Fe85  1  0.807369  0.218269  0.327302  1
  Fe  Fe86  1  0.094734  0.984530  0.365254  1
  Fe  Fe87  1  0.546453  0.449835  0.290338  1
  Fe  Fe88  1  0.761401  0.984530  0.365254  1
  Fe  Fe89  1  0.213119  0.449835  0.290338  1
  Fe  Fe90  1  0.879786  0.449835  0.290338  1
  Fe  Fe91  1  0.495827  0.277958  0.371243  1
  Fe  Fe92  1  0.162493  0.277958  0.371243  1
  Fe  Fe93  1  0.577918  0.744468  0.296899  1
  Fe  Fe94  1  0.829160  0.277958  0.371243  1
  Fe  Fe95  1  0.244585  0.744468  0.296899  1
  Fe  Fe96  1  0.543228  0.509077  0.335757  1
  Fe  Fe97  1  0.911251  0.744468  0.296899  1
  Fe  Fe98  1  0.209895  0.509077  0.335757  1
  Fe  Fe99  1  0.876562  0.509077  0.335757  1
  Fe  Fe100  1  0.322420  0.291157  0.317858  1
  Fe  Fe101  1  0.989087  0.291157  0.317858  1
  Fe  Fe102  1  0.273956  0.067535  0.353637  1
  Fe  Fe103  1  0.655753  0.291157  0.317858  1
  Fe  Fe104  1  0.940623  0.067535  0.353637  1
  Fe  Fe105  1  0.229717  0.836951  0.390789  1
  Fe  Fe106  1  0.607290  0.067535  0.353637  1
  Fe  Fe107  1  0.896384  0.836951  0.390789  1
  Fe  Fe108  1  0.563050  0.836951  0.390789  1
  Fe  Fe109  1  0.208386  0.755169  0.430456  1
  Fe  Fe110  1  0.875053  0.755169  0.430456  1
  Fe  Fe111  1  0.164117  0.522556  0.467503  1
  Fe  Fe112  1  0.541720  0.755169  0.430456  1
  Fe  Fe113  1  0.830784  0.522556  0.467503  1
  Fe  Fe114  1  0.252869  0.987413  0.393007  1
  Fe  Fe115  1  0.497451  0.522556  0.467503  1
  Fe  Fe116  1  0.919536  0.987413  0.393007  1
  Fe  Fe117  1  0.586203  0.987413  0.393007  1
  Fe  Fe118  1  0.361108  0.330397  0.442149  1
  Fe  Fe119  1  0.027774  0.330397  0.442149  1
  Fe  Fe120  1  0.317091  0.097570  0.479086  1
  Fe  Fe121  1  0.694441  0.330397  0.442149  1
  Fe  Fe122  1  0.983757  0.097570  0.479086  1
  Fe  Fe123  1  0.405670  0.562405  0.405136  1
  Fe  Fe124  1  0.650424  0.097570  0.479086  1
  Fe  Fe125  1  0.072337  0.562405  0.405136  1
  Fe  Fe126  1  0.739004  0.562405  0.405136  1
  Fe  Fe127  1  0.296535  0.431148  0.400944  1
  Fe  Fe128  1  0.963202  0.431148  0.400944  1
  Fe  Fe129  1  0.251946  0.199150  0.437888  1
  Fe  Fe130  1  0.629869  0.431148  0.400944  1
  Fe  Fe131  1  0.918612  0.199150  0.437888  1
  Fe  Fe132  1  0.208084  0.966063  0.475299  1
  Fe  Fe133  1  0.585279  0.199150  0.437888  1
  Fe  Fe134  1  0.874751  0.966063  0.475299  1
  Fe  Fe135  1  0.541418  0.966063  0.475299  1
  Fe  Fe136  1  0.241113  0.786383  0.476058  1
  Fe  Fe137  1  0.907780  0.786383  0.476058  1
  Fe  Fe138  1  0.330497  0.252564  0.401876  1
  Fe  Fe139  1  0.574446  0.786383  0.476058  1
  Fe  Fe140  1  0.997163  0.252564  0.401876  1
  Fe  Fe141  1  0.285048  0.019876  0.438664  1
  Fe  Fe142  1  0.663830  0.252564  0.401876  1
  Fe  Fe143  1  0.951715  0.019876  0.438664  1
  Fe  Fe144  1  0.618382  0.019876  0.438664  1
  Fe  Fe145  1  0.325559  0.445767  0.478503  1
  Fe  Fe146  1  0.992226  0.445767  0.478503  1
  Fe  Fe147  1  0.414604  0.911385  0.404440  1
  Fe  Fe148  1  0.658893  0.445767  0.478503  1
  Fe  Fe149  1  0.081271  0.911385  0.404440  1
  Fe  Fe150  1  0.370042  0.678407  0.441478  1
  Fe  Fe151  1  0.747938  0.911385  0.404440  1
  Fe  Fe152  1  0.036709  0.678407  0.441478  1
  Fe  Fe153  1  0.703375  0.678407  0.441478  1
  Fe  Fe154  1  0.257998  0.628977  0.395846  1
  Fe  Fe155  1  0.924664  0.628977  0.395846  1
  Fe  Fe156  1  0.213505  0.396386  0.432937  1
  Fe  Fe157  1  0.591331  0.628977  0.395846  1
  Fe  Fe158  1  0.880172  0.396386  0.432937  1
  Fe  Fe159  1  0.169339  0.163611  0.469803  1
  Fe  Fe160  1  0.546838  0.396386  0.432937  1
  Fe  Fe161  1  0.836006  0.163611  0.469803  1
  Fe  Fe162  1  0.502673  0.163611  0.469803  1
  Fe  Fe163  1  0.479296  0.177936  0.415879  1
  Fe  Fe164  1  0.145962  0.177936  0.415879  1
  Fe  Fe165  1  0.435215  0.944485  0.453065  1
  Fe  Fe166  1  0.812629  0.177936  0.415879  1
  Fe  Fe167  1  0.101882  0.944485  0.453065  1
  Fe  Fe168  1  0.390459  0.712703  0.490049  1
  Fe  Fe169  1  0.768548  0.944485  0.453065  1
  Fe  Fe170  1  0.057126  0.712703  0.490049  1
  Fe  Fe171  1  0.723793  0.712703  0.490049  1
  Fe  Fe172  1  0.456229  0.359027  0.413577  1
  Fe  Fe173  1  0.122896  0.359027  0.413577  1
  Fe  Fe174  1  0.411825  0.126859  0.450869  1
  Fe  Fe175  1  0.789563  0.359027  0.413577  1
  Fe  Fe176  1  0.078492  0.126859  0.450869  1
  Fe  Fe177  1  0.367316  0.894102  0.487968  1
  Fe  Fe178  1  0.745159  0.126859  0.450869  1
  Fe  Fe179  1  0.033982  0.894102  0.487968  1
  Fe  Fe180  1  0.700649  0.894102  0.487968  1
  Fe  Fe181  1  0.219457  0.641458  0.472287  1
  Fe  Fe182  1  0.886123  0.641458  0.472287  1
  Fe  Fe183  1  0.307042  0.107984  0.397629  1
  Fe  Fe184  1  0.552790  0.641458  0.472287  1
  Fe  Fe185  1  0.973708  0.107984  0.397629  1
  Fe  Fe186  1  0.264450  0.873490  0.435124  1
  Fe  Fe187  1  0.640375  0.107984  0.397629  1
  Fe  Fe188  1  0.931116  0.873490  0.435124  1
  Fe  Fe189  1  0.597783  0.873490  0.435124  1
  Fe  Fe190  1  0.339080  0.519556  0.438708  1
  Fe  Fe191  1  0.005747  0.519556  0.438708  1
  Fe  Fe192  1  0.294674  0.287076  0.475940  1
  Fe  Fe193  1  0.672414  0.519556  0.438708  1
  Fe  Fe194  1  0.961340  0.287076  0.475940  1
  Fe  Fe195  1  0.383306  0.752008  0.401854  1
  Fe  Fe196  1  0.628007  0.287076  0.475940  1
  Fe  Fe197  1  0.049973  0.752008  0.401854  1
  Fe  Fe198  1  0.716640  0.752008  0.401854  1
  Fe  Fe199  1  0.364873  0.580922  0.483358  1
  Fe  Fe200  1  0.031539  0.580922  0.483358  1
  Fe  Fe201  1  0.453268  0.045499  0.409038  1
  Fe  Fe202  1  0.698206  0.580922  0.483358  1
  Fe  Fe203  1  0.119934  0.045499  0.409038  1
  Fe  Fe204  1  0.409213  0.812756  0.445979  1
  Fe  Fe205  1  0.786601  0.045499  0.409038  1
  Fe  Fe206  1  0.075880  0.812756  0.445979  1
  Fe  Fe207  1  0.742547  0.812756  0.445979  1
  Fe  Fe208  1  0.185795  0.601951  0.428016  1
  Fe  Fe209  1  0.852462  0.601951  0.428016  1
  Fe  Fe210  1  0.141136  0.369992  0.465055  1
  Fe  Fe211  1  0.519129  0.601951  0.428016  1
  Fe  Fe212  1  0.807803  0.369992  0.465055  1
  Fe  Fe213  1  0.097174  0.137394  0.501875  1
  Fe  Fe214  1  0.474470  0.369992  0.465055  1
  Fe  Fe215  1  0.763841  0.137394  0.501875  1
  Fe  Fe216  1  0.430507  0.137394  0.501875  1
  Fe  Fe217  1  0.074831  0.057336  0.541539  1
  Fe  Fe218  1  0.741498  0.057336  0.541539  1
  Fe  Fe219  1  0.031006  0.824586  0.578734  1
  Fe  Fe220  1  0.408164  0.057336  0.541539  1
  Fe  Fe221  1  0.697672  0.824586  0.578734  1
  Fe  Fe222  1  0.119878  0.290181  0.504500  1
  Fe  Fe223  1  0.364339  0.824586  0.578734  1
  Fe  Fe224  1  0.786545  0.290181  0.504500  1
  Fe  Fe225  1  0.453212  0.290181  0.504500  1
  Fe  Fe226  1  0.228675  0.632706  0.553619  1
  Fe  Fe227  1  0.895342  0.632706  0.553619  1
  Fe  Fe228  1  0.185011  0.399131  0.590667  1
  Fe  Fe229  1  0.562008  0.632706  0.553619  1
  Fe  Fe230  1  0.851678  0.399131  0.590667  1
  Fe  Fe231  1  0.272264  0.865480  0.516310  1
  Fe  Fe232  1  0.518344  0.399131  0.590667  1
  Fe  Fe233  1  0.938931  0.865480  0.516310  1
  Fe  Fe234  1  0.605597  0.865480  0.516310  1
  Fe  Fe235  1  0.163255  0.733988  0.512391  1
  Fe  Fe236  1  0.829921  0.733988  0.512391  1
  Fe  Fe237  1  0.119431  0.501604  0.549335  1
  Fe  Fe238  1  0.496588  0.733988  0.512391  1
  Fe  Fe239  1  0.786097  0.501604  0.549335  1
  Fe  Fe240  1  0.075903  0.267986  0.586175  1
  Fe  Fe241  1  0.452764  0.501604  0.549335  1
  Fe  Fe242  1  0.742569  0.267986  0.586175  1
  Fe  Fe243  1  0.409236  0.267986  0.586175  1
  Fe  Fe244  1  0.106673  0.088717  0.587159  1
  Fe  Fe245  1  0.773339  0.088717  0.587159  1
  Fe  Fe246  1  0.196476  0.554187  0.513175  1
  Fe  Fe247  1  0.440006  0.088717  0.587159  1
  Fe  Fe248  1  0.863143  0.554187  0.513175  1
  Fe  Fe249  1  0.153724  0.321867  0.549603  1
  Fe  Fe250  1  0.529810  0.554187  0.513175  1
  Fe  Fe251  1  0.820390  0.321867  0.549603  1
  Fe  Fe252  1  0.487057  0.321867  0.549603  1
  Fe  Fe253  1  0.193321  0.747472  0.590238  1
  Fe  Fe254  1  0.859987  0.747472  0.590238  1
  Fe  Fe255  1  0.281662  0.212885  0.515521  1
  Fe  Fe256  1  0.526654  0.747472  0.590238  1
  Fe  Fe257  1  0.948329  0.212885  0.515521  1
  Fe  Fe258  1  0.235893  0.980432  0.552541  1
  Fe  Fe259  1  0.614996  0.212885  0.515521  1
  Fe  Fe260  1  0.902560  0.980432  0.552541  1
  Fe  Fe261  1  0.569227  0.980432  0.552541  1
  Fe  Fe262  1  0.124724  0.930856  0.506961  1
  Fe  Fe263  1  0.791391  0.930856  0.506961  1
  Fe  Fe264  1  0.080845  0.698404  0.544194  1
  Fe  Fe265  1  0.458058  0.930856  0.506961  1
  Fe  Fe266  1  0.747512  0.698404  0.544194  1
  Fe  Fe267  1  0.037446  0.466226  0.581773  1
  Fe  Fe268  1  0.414178  0.698404  0.544194  1
  Fe  Fe269  1  0.704113  0.466226  0.581773  1
  Fe  Fe270  1  0.370780  0.466226  0.581773  1
  Fe  Fe271  1  0.346406  0.480848  0.527260  1
  Fe  Fe272  1  0.013072  0.480848  0.527260  1
  Fe  Fe273  1  0.302681  0.247045  0.564130  1
  Fe  Fe274  1  0.679739  0.480848  0.527260  1
  Fe  Fe275  1  0.969348  0.247045  0.564130  1
  Fe  Fe276  1  0.254492  0.017307  0.600828  1
  Fe  Fe277  1  0.636014  0.247045  0.564130  1
  Fe  Fe278  1  0.921159  0.017307  0.600828  1
  Fe  Fe279  1  0.587825  0.017307  0.600828  1
  Fe  Fe280  1  0.322794  0.661660  0.525322  1
  Fe  Fe281  1  0.989460  0.661660  0.525322  1
  Fe  Fe282  1  0.279776  0.428815  0.561852  1
  Fe  Fe283  1  0.656127  0.661660  0.525322  1
  Fe  Fe284  1  0.946443  0.428815  0.561852  1
  Fe  Fe285  1  0.235168  0.195773  0.599047  1
  Fe  Fe286  1  0.613109  0.428815  0.561852  1
  Fe  Fe287  1  0.901835  0.195773  0.599047  1
  Fe  Fe288  1  0.568501  0.195773  0.599047  1
  Fe  Fe289  1  0.084926  0.944301  0.583424  1
  Fe  Fe290  1  0.751593  0.944301  0.583424  1
  Fe  Fe291  1  0.174723  0.409333  0.509359  1
  Fe  Fe292  1  0.418259  0.944301  0.583424  1
  Fe  Fe293  1  0.841390  0.409333  0.509359  1
  Fe  Fe294  1  0.131499  0.174976  0.546245  1
  Fe  Fe295  1  0.508057  0.409333  0.509359  1
  Fe  Fe296  1  0.798165  0.174976  0.546245  1
  Fe  Fe297  1  0.464832  0.174976  0.546245  1
  Fe  Fe298  1  0.205806  0.820832  0.550241  1
  Fe  Fe299  1  0.872473  0.820832  0.550241  1
  Fe  Fe300  1  0.163252  0.588892  0.587420  1
  Fe  Fe301  1  0.539139  0.820832  0.550241  1
  Fe  Fe302  1  0.829919  0.588892  0.587420  1
  Fe  Fe303  1  0.250166  0.053906  0.512836  1
  Fe  Fe304  1  0.496585  0.588892  0.587420  1
  Fe  Fe305  1  0.916832  0.053906  0.512836  1
  Fe  Fe306  1  0.583499  0.053906  0.512836  1
  Fe  Fe307  1  0.230572  0.883016  0.594632  1
  Fe  Fe308  1  0.897239  0.883016  0.594632  1
  Fe  Fe309  1  0.320829  0.347670  0.520349  1
  Fe  Fe310  1  0.563905  0.883016  0.594632  1
  Fe  Fe311  1  0.987495  0.347670  0.520349  1
  Fe  Fe312  1  0.276980  0.114551  0.557152  1
  Fe  Fe313  1  0.654162  0.347670  0.520349  1
  Fe  Fe314  1  0.943646  0.114551  0.557152  1
  Fe  Fe315  1  0.610313  0.114551  0.557152  1
  Fe  Fe316  1  0.051674  0.905390  0.539130  1
  Fe  Fe317  1  0.718341  0.905390  0.539130  1
  Fe  Fe318  1  0.008211  0.672858  0.576373  1
  Fe  Fe319  1  0.385008  0.905390  0.539130  1
  Fe  Fe320  1  0.674878  0.672858  0.576373  1
  Fe  Fe321  1  0.969236  0.433923  0.613855  1
  Fe  Fe322  1  0.341544  0.672858  0.576373  1
  Fe  Fe323  1  0.635903  0.433923  0.613855  1
  Fe  Fe324  1  0.302570  0.433923  0.613855  1
  Fe  Fe325  1  0.933899  0.364460  0.651775  1
  Fe  Fe326  1  0.600566  0.364460  0.651775  1
  Fe  Fe327  1  0.894817  0.132533  0.690192  1
  Fe  Fe328  1  0.267233  0.364460  0.651775  1
  Fe  Fe329  1  0.561484  0.132533  0.690192  1
  Fe  Fe330  1  0.992312  0.590872  0.616508  1
  Fe  Fe331  1  0.228151  0.132533  0.690192  1
  Fe  Fe332  1  0.658978  0.590872  0.616508  1
  Fe  Fe333  1  0.325645  0.590872  0.616508  1
  Fe  Fe334  1  0.095127  0.934643  0.664641  1
  Fe  Fe335  1  0.761794  0.934643  0.664641  1
  Fe  Fe336  1  0.055106  0.700615  0.702252  1
  Fe  Fe337  1  0.428460  0.934643  0.664641  1
  Fe  Fe338  1  0.721772  0.700615  0.702252  1
  Fe  Fe339  1  0.134060  0.171766  0.627351  1
  Fe  Fe340  1  0.388439  0.700615  0.702252  1
  Fe  Fe341  1  0.800726  0.171766  0.627351  1
  Fe  Fe342  1  0.467393  0.171766  0.627351  1
  Fe  Fe343  1  0.025201  0.040312  0.623628  1
  Fe  Fe344  1  0.691868  0.040312  0.623628  1
  Fe  Fe345  1  0.986251  0.802795  0.660957  1
  Fe  Fe346  1  0.358534  0.040312  0.623628  1
  Fe  Fe347  1  0.652918  0.802795  0.660957  1
  Fe  Fe348  1  0.945744  0.569836  0.697968  1
  Fe  Fe349  1  0.319584  0.802795  0.660957  1
  Fe  Fe350  1  0.612411  0.569836  0.697968  1
  Fe  Fe351  1  0.279078  0.569836  0.697968  1
  Fe  Fe352  1  0.955394  0.393660  0.698668  1
  Fe  Fe353  1  0.622060  0.393660  0.698668  1
  Fe  Fe354  1  0.061696  0.857968  0.624079  1
  Fe  Fe355  1  0.288727  0.393660  0.698668  1
  Fe  Fe356  1  0.728362  0.857968  0.624079  1
  Fe  Fe357  1  0.020717  0.622219  0.661936  1
  Fe  Fe358  1  0.395029  0.857968  0.624079  1
  Fe  Fe359  1  0.687384  0.622219  0.661936  1
  Fe  Fe360  1  0.354051  0.622219  0.661936  1
  Fe  Fe361  1  0.058534  0.049612  0.700956  1
  Fe  Fe362  1  0.725201  0.049612  0.700956  1
  Fe  Fe363  1  0.151903  0.514843  0.627883  1
  Fe  Fe364  1  0.391867  0.049612  0.700956  1
  Fe  Fe365  1  0.818570  0.514843  0.627883  1
  Fe  Fe366  1  0.093842  0.284406  0.662894  1
  Fe  Fe367  1  0.485236  0.514843  0.627883  1
  Fe  Fe368  1  0.760509  0.284406  0.662894  1
  Fe  Fe369  1  0.427176  0.284406  0.662894  1
  Fe  Fe370  1  0.987672  0.234611  0.617816  1
  Fe  Fe371  1  0.654339  0.234611  0.617816  1
  Fe  Fe372  1  0.946269  0.002151  0.655211  1
  Fe  Fe373  1  0.321005  0.234611  0.617816  1
  Fe  Fe374  1  0.612935  0.002151  0.655211  1
  Fe  Fe375  1  0.910997  0.764400  0.691566  1
  Fe  Fe376  1  0.279602  0.002151  0.655211  1
  Fe  Fe377  1  0.577664  0.764400  0.691566  1
  Fe  Fe378  1  0.244330  0.764400  0.691566  1
  Fe  Fe379  1  0.213155  0.782528  0.638483  1
  Fe  Fe380  1  0.879821  0.782528  0.638483  1
  Fe  Fe381  1  0.169579  0.558095  0.674715  1
  Fe  Fe382  1  0.546488  0.782528  0.638483  1
  Fe  Fe383  1  0.836246  0.558095  0.674715  1
  Fe  Fe384  1  0.089593  0.370272  0.704105  1
  Fe  Fe385  1  0.502913  0.558095  0.674715  1
  Fe  Fe386  1  0.756260  0.370272  0.704105  1
  Fe  Fe387  1  0.422926  0.370272  0.704105  1
  Fe  Fe388  1  0.186689  0.965882  0.635886  1
  Fe  Fe389  1  0.853356  0.965882  0.635886  1
  Fe  Fe390  1  0.146089  0.733910  0.672749  1
  Fe  Fe391  1  0.520022  0.965882  0.635886  1
  Fe  Fe392  1  0.812756  0.733910  0.672749  1
  Fe  Fe393  1  0.111641  0.499904  0.710318  1
  Fe  Fe394  1  0.479422  0.733910  0.672749  1
  Fe  Fe395  1  0.778307  0.499904  0.710318  1
  Fe  Fe396  1  0.444974  0.499904  0.710318  1
  Fe  Fe397  1  0.940876  0.252465  0.694088  1
  Fe  Fe398  1  0.607542  0.252465  0.694088  1
  Fe  Fe399  1  0.043147  0.709672  0.620914  1
  Fe  Fe400  1  0.274209  0.252465  0.694088  1
  Fe  Fe401  1  0.709814  0.709672  0.620914  1
  Fe  Fe402  1  0.003249  0.473533  0.658446  1
  Fe  Fe403  1  0.376480  0.709672  0.620914  1
  Fe  Fe404  1  0.669916  0.473533  0.658446  1
  Fe  Fe405  1  0.336583  0.473533  0.658446  1
  Fe  Fe406  1  0.067851  0.126441  0.661153  1
  Fe  Fe407  1  0.734518  0.126441  0.661153  1
  Fe  Fe408  1  0.023935  0.893497  0.698148  1
  Fe  Fe409  1  0.401184  0.126441  0.661153  1
  Fe  Fe410  1  0.690602  0.893497  0.698148  1
  Fe  Fe411  1  0.114059  0.359289  0.623435  1
  Fe  Fe412  1  0.357269  0.893497  0.698148  1
  Fe  Fe413  1  0.780726  0.359289  0.623435  1
  Fe  Fe414  1  0.447393  0.359289  0.623435  1
  Fe  Fe415  1  0.090391  0.190700  0.704828  1
  Fe  Fe416  1  0.757058  0.190700  0.704828  1
  Fe  Fe417  1  0.188496  0.650748  0.631493  1
  Fe  Fe418  1  0.423724  0.190700  0.704828  1
  Fe  Fe419  1  0.855163  0.650748  0.631493  1
  Fe  Fe420  1  0.149471  0.418998  0.669395  1
  Fe  Fe421  1  0.521829  0.650748  0.631493  1
  Fe  Fe422  1  0.816137  0.418998  0.669395  1
  Fe  Fe423  1  0.482804  0.418998  0.669395  1
  Fe  Fe424  1  0.910611  0.213594  0.649869  1
  Fe  Fe425  1  0.577278  0.213594  0.649869  1
  Fe  Fe426  1  0.872506  0.977793  0.687247  1
  Fe  Fe427  1  0.243945  0.213594  0.649869  1
  Fe  Fe428  1  0.539172  0.977793  0.687247  1
  Fe  Fe429  1  0.829766  0.755181  0.721735  1
  Fe  Fe430  1  0.205839  0.977793  0.687247  1
  Fe  Fe431  1  0.496433  0.755181  0.721735  1
  Fe  Fe432  1  0.163099  0.755181  0.721735  1
  C  C433  1  0.255645  0.364855  0.348008  1
  C  C434  1  0.922312  0.364855  0.348008  1
  C  C435  1  0.209976  0.134742  0.384644  1
  C  C436  1  0.588979  0.364855  0.348008  1
  C  C437  1  0.876643  0.134742  0.384644  1
  C  C438  1  0.297998  0.600142  0.310479  1
  C  C439  1  0.543309  0.134742  0.384644  1
  C  C440  1  0.964664  0.600142  0.310479  1
  C  C441  1  0.631331  0.600142  0.310479  1
  C  C442  1  0.424869  0.359232  0.342454  1
  C  C443  1  0.091536  0.359232  0.342454  1
  C  C444  1  0.381164  0.124956  0.380368  1
  C  C445  1  0.758203  0.359232  0.342454  1
  C  C446  1  0.047830  0.124956  0.380368  1
  C  C447  1  0.473160  0.588671  0.306676  1
  C  C448  1  0.714497  0.124956  0.380368  1
  C  C449  1  0.139827  0.588671  0.306676  1
  C  C450  1  0.806493  0.588671  0.306676  1
  C  C451  1  0.491574  0.186541  0.290397  1
  C  C452  1  0.158241  0.186541  0.290397  1
  C  C453  1  0.447068  0.954836  0.328309  1
  C  C454  1  0.824907  0.186541  0.290397  1
  C  C455  1  0.113735  0.954836  0.328309  1
  C  C456  1  0.401983  0.720081  0.364978  1
  C  C457  1  0.780401  0.954836  0.328309  1
  C  C458  1  0.068650  0.720081  0.364978  1
  C  C459  1  0.735317  0.720081  0.364978  1
  C  C460  1  0.606293  0.967166  0.331430  1
  C  C461  1  0.272960  0.967166  0.331430  1
  C  C462  1  0.562652  0.734794  0.369156  1
  C  C463  1  0.939627  0.967166  0.331430  1
  C  C464  1  0.229319  0.734794  0.369156  1
  C  C465  1  0.650976  0.197171  0.294377  1
  C  C466  1  0.895985  0.734794  0.369156  1
  C  C467  1  0.317643  0.197171  0.294377  1
  C  C468  1  0.984309  0.197171  0.294377  1
  C  C469  1  0.122206  0.669470  0.459074  1
  C  C470  1  0.788872  0.669470  0.459074  1
  C  C471  1  0.077508  0.437304  0.496115  1
  C  C472  1  0.455539  0.669470  0.459074  1
  C  C473  1  0.744174  0.437304  0.496115  1
  C  C474  1  0.166879  0.901981  0.422093  1
  C  C475  1  0.410841  0.437304  0.496115  1
  C  C476  1  0.833546  0.901981  0.422093  1
  C  C477  1  0.500212  0.901981  0.422093  1
  C  C478  1  0.292867  0.658611  0.454556  1
  C  C479  1  0.959534  0.658611  0.454556  1
  C  C480  1  0.248342  0.426294  0.491711  1
  C  C481  1  0.626201  0.658611  0.454556  1
  C  C482  1  0.915009  0.426294  0.491711  1
  C  C483  1  0.337124  0.891769  0.417276  1
  C  C484  1  0.581676  0.426294  0.491711  1
  C  C485  1  0.003791  0.891769  0.417276  1
  C  C486  1  0.670458  0.891769  0.417276  1
  C  C487  1  0.357058  0.488711  0.401769  1
  C  C488  1  0.023725  0.488711  0.401769  1
  C  C489  1  0.312672  0.256394  0.438997  1
  C  C490  1  0.690392  0.488711  0.401769  1
  C  C491  1  0.979339  0.256394  0.438997  1
  C  C492  1  0.268567  0.023709  0.475884  1
  C  C493  1  0.646005  0.256394  0.438997  1
  C  C494  1  0.935233  0.023709  0.475884  1
  C  C495  1  0.601900  0.023709  0.475884  1
  C  C496  1  0.472867  0.269653  0.443056  1
  C  C497  1  0.139534  0.269653  0.443056  1
  C  C498  1  0.428912  0.036415  0.480151  1
  C  C499  1  0.806201  0.269653  0.443056  1
  C  C500  1  0.095578  0.036415  0.480151  1
  C  C501  1  0.517423  0.501681  0.406024  1
  C  C502  1  0.762245  0.036415  0.480151  1
  C  C503  1  0.184089  0.501681  0.406024  1
  C  C504  1  0.850756  0.501681  0.406024  1
  C  C505  1  0.987839  0.971851  0.570191  1
  C  C506  1  0.654506  0.971851  0.570191  1
  C  C507  1  0.945500  0.739081  0.607650  1
  C  C508  1  0.321172  0.971851  0.570191  1
  C  C509  1  0.612167  0.739081  0.607650  1
  C  C510  1  0.033969  0.203813  0.533047  1
  C  C511  1  0.278834  0.739081  0.607650  1
  C  C512  1  0.700636  0.203813  0.533047  1
  C  C513  1  0.367302  0.203813  0.533047  1
  C  C514  1  0.158850  0.960630  0.565758  1
  C  C515  1  0.825517  0.960630  0.565758  1
  C  C516  1  0.115240  0.728878  0.602998  1
  C  C517  1  0.492183  0.960630  0.565758  1
  C  C518  1  0.781907  0.728878  0.602998  1
  C  C519  1  0.204428  0.193088  0.528525  1
  C  C520  1  0.448574  0.728878  0.602998  1
  C  C521  1  0.871094  0.193088  0.528525  1
  C  C522  1  0.537761  0.193088  0.528525  1
  C  C523  1  0.223988  0.791245  0.513259  1
  C  C524  1  0.890654  0.791245  0.513259  1
  C  C525  1  0.180179  0.558802  0.550428  1
  C  C526  1  0.557321  0.791245  0.513259  1
  C  C527  1  0.846846  0.558802  0.550428  1
  C  C528  1  0.136682  0.325218  0.586765  1
  C  C529  1  0.513513  0.558802  0.550428  1
  C  C530  1  0.803349  0.325218  0.586765  1
  C  C531  1  0.470015  0.325218  0.586765  1
  C  C532  1  0.340555  0.571248  0.554702  1
  C  C533  1  0.007221  0.571248  0.554702  1
  C  C534  1  0.296727  0.338773  0.591204  1
  C  C535  1  0.673888  0.571248  0.554702  1
  C  C536  1  0.963393  0.338773  0.591204  1
  C  C537  1  0.384146  0.804035  0.517309  1
  C  C538  1  0.630060  0.338773  0.591204  1
  C  C539  1  0.050813  0.804035  0.517309  1
  C  C540  1  0.717479  0.804035  0.517309  1
  C  C541  1  0.843955  0.280918  0.680352  1
  C  C542  1  0.510622  0.280918  0.680352  1
  C  C543  1  0.808762  0.046438  0.718218  1
  C  C544  1  0.177289  0.280918  0.680352  1
  C  C545  1  0.475428  0.046438  0.718218  1
  C  C546  1  0.905097  0.506448  0.644522  1
  C  C547  1  0.142095  0.046438  0.718218  1
  C  C548  1  0.571763  0.506448  0.644522  1
  C  C549  1  0.238430  0.506448  0.644522  1
  C  C550  1  0.015674  0.267579  0.676593  1
  C  C551  1  0.682341  0.267579  0.676593  1
  C  C552  1  0.979780  0.032375  0.713764  1
  C  C553  1  0.349008  0.267579  0.676593  1
  C  C554  1  0.646447  0.032375  0.713764  1
  C  C555  1  0.075598  0.493100  0.640831  1
  C  C556  1  0.313113  0.032375  0.713764  1
  C  C557  1  0.742265  0.493100  0.640831  1
  C  C558  1  0.408931  0.493100  0.640831  1
  C  C559  1  0.087276  0.095599  0.624244  1
  C  C560  1  0.753942  0.095599  0.624244  1
  C  C561  1  0.045496  0.862272  0.661328  1
  C  C562  1  0.420609  0.095599  0.624244  1
  C  C563  1  0.712163  0.862272  0.661328  1
  C  C564  1  0.008264  0.624393  0.699371  1
  C  C565  1  0.378829  0.862272  0.661328  1
  C  C566  1  0.674930  0.624393  0.699371  1
  C  C567  1  0.341597  0.624393  0.699371  1
  C  C568  1  0.206679  0.875079  0.665425  1
  C  C569  1  0.873345  0.875079  0.665425  1
  C  C570  1  0.165907  0.644971  0.702693  1
  C  C571  1  0.540012  0.875079  0.665425  1
  C  C572  1  0.832574  0.644971  0.702693  1
  C  C573  1  0.246193  0.109051  0.628365  1
  C  C574  1  0.499240  0.644971  0.702693  1
  C  C575  1  0.912860  0.109051  0.628365  1
  C  C576  1  0.579526  0.109051  0.628365  1
