# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.58017019
_cell_length_b   20.23246285
_cell_length_c   48.52418336
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.44182075
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe540 C180'
_cell_volume   14271.2892645
_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  0.329449  0.745088  0.277193  1
  Fe  Fe2  1  0.996115  0.411756  0.277193  1
  Fe  Fe3  1  0.030757  0.747107  0.309014  1
  Fe  Fe4  1  0.734324  0.732012  0.339305  1
  Fe  Fe5  1  0.662783  0.078423  0.277193  1
  Fe  Fe6  1  0.697422  0.413774  0.309014  1
  Fe  Fe7  1  0.400989  0.398676  0.339306  1
  Fe  Fe8  1  0.364089  0.080441  0.309014  1
  Fe  Fe9  1  0.067656  0.065343  0.339306  1
  Fe  Fe10  1  0.476962  0.585256  0.296195  1
  Fe  Fe11  1  0.143630  0.251925  0.296195  1
  Fe  Fe12  1  0.174633  0.567999  0.327442  1
  Fe  Fe13  1  0.875857  0.548848  0.358216  1
  Fe  Fe14  1  0.810298  0.918591  0.296195  1
  Fe  Fe15  1  0.841299  0.234666  0.327442  1
  Fe  Fe16  1  0.542523  0.215515  0.358216  1
  Fe  Fe17  1  0.507967  0.901332  0.327442  1
  Fe  Fe18  1  0.209190  0.882182  0.358216  1
  Fe  Fe19  1  0.497888  0.753077  0.276744  1
  Fe  Fe20  1  0.164556  0.419744  0.276744  1
  Fe  Fe21  1  0.197087  0.745296  0.308695  1
  Fe  Fe22  1  0.898147  0.729326  0.338353  1
  Fe  Fe23  1  0.831222  0.086410  0.276744  1
  Fe  Fe24  1  0.863759  0.411963  0.308694  1
  Fe  Fe25  1  0.564819  0.395993  0.338353  1
  Fe  Fe26  1  0.530423  0.078630  0.308695  1
  Fe  Fe27  1  0.231483  0.062659  0.338353  1
  Fe  Fe28  1  0.641496  0.591143  0.296233  1
  Fe  Fe29  1  0.308163  0.257809  0.296233  1
  Fe  Fe30  1  0.342915  0.566201  0.327693  1
  Fe  Fe31  1  0.041979  0.549926  0.357690  1
  Fe  Fe32  1  0.974829  0.924476  0.296233  1
  Fe  Fe33  1  0.009583  0.232867  0.327693  1
  Fe  Fe34  1  0.708646  0.216593  0.357690  1
  Fe  Fe35  1  0.676249  0.899534  0.327693  1
  Fe  Fe36  1  0.375312  0.883260  0.357690  1
  Fe  Fe37  1  0.431259  0.687423  0.313485  1
  Fe  Fe38  1  0.097929  0.354086  0.313487  1
  Fe  Fe39  1  0.128724  0.669284  0.342385  1
  Fe  Fe40  1  0.729270  0.698475  0.282195  1
  Fe  Fe41  1  0.764595  0.020754  0.313487  1
  Fe  Fe42  1  0.795392  0.335950  0.342385  1
  Fe  Fe43  1  0.395937  0.365142  0.282195  1
  Fe  Fe44  1  0.462058  0.002617  0.342385  1
  Fe  Fe45  1  0.062603  0.031809  0.282195  1
  Fe  Fe46  1  0.481715  0.612212  0.352540  1
  Fe  Fe47  1  0.148381  0.278876  0.352540  1
  Fe  Fe48  1  0.064156  0.643095  0.292336  1
  Fe  Fe49  1  0.776649  0.628358  0.322224  1
  Fe  Fe50  1  0.815048  0.945543  0.352540  1
  Fe  Fe51  1  0.730822  0.309761  0.292336  1
  Fe  Fe52  1  0.443315  0.295023  0.322223  1
  Fe  Fe53  1  0.397489  0.976428  0.292337  1
  Fe  Fe54  1  0.109981  0.961690  0.322223  1
  Fe  Fe55  1  0.584069  0.800218  0.320445  1
  Fe  Fe56  1  0.250737  0.466884  0.320445  1
  Fe  Fe57  1  0.289516  0.781307  0.352130  1
  Fe  Fe58  1  0.896805  0.814235  0.293192  1
  Fe  Fe59  1  0.917403  0.133551  0.320445  1
  Fe  Fe60  1  0.956182  0.447973  0.352129  1
  Fe  Fe61  1  0.563470  0.480902  0.293193  1
  Fe  Fe62  1  0.622850  0.114642  0.352129  1
  Fe  Fe63  1  0.230137  0.147569  0.293193  1
  Fe  Fe64  1  0.642391  0.501391  0.338607  1
  Fe  Fe65  1  0.309058  0.168058  0.338606  1
  Fe  Fe66  1  0.257439  0.528649  0.275287  1
  Fe  Fe67  1  0.945548  0.516608  0.305534  1
  Fe  Fe68  1  0.975724  0.834724  0.338606  1
  Fe  Fe69  1  0.924110  0.195317  0.275288  1
  Fe  Fe70  1  0.612214  0.183274  0.305534  1
  Fe  Fe71  1  0.590777  0.861984  0.275288  1
  Fe  Fe72  1  0.278881  0.849941  0.305534  1
  Fe  Fe73  1  0.646186  0.610504  0.354304  1
  Fe  Fe74  1  0.312851  0.277169  0.354304  1
  Fe  Fe75  1  0.240360  0.641047  0.294618  1
  Fe  Fe76  1  0.942273  0.624755  0.325588  1
  Fe  Fe77  1  0.979518  0.943836  0.354304  1
  Fe  Fe78  1  0.907026  0.307715  0.294619  1
  Fe  Fe79  1  0.608941  0.291422  0.325588  1
  Fe  Fe80  1  0.573692  0.974381  0.294619  1
  Fe  Fe81  1  0.275607  0.958088  0.325588  1
  Fe  Fe82  1  0.604617  0.687248  0.316845  1
  Fe  Fe83  1  0.271285  0.353916  0.316847  1
  Fe  Fe84  1  0.298929  0.667984  0.344772  1
  Fe  Fe85  1  0.900885  0.699789  0.285725  1
  Fe  Fe86  1  0.937951  0.020583  0.316847  1
  Fe  Fe87  1  0.965596  0.334651  0.344772  1
  Fe  Fe88  1  0.567549  0.366455  0.285726  1
  Fe  Fe89  1  0.632265  0.001317  0.344772  1
  Fe  Fe90  1  0.234216  0.033122  0.285726  1
  Fe  Fe91  1  0.484404  0.499793  0.343583  1
  Fe  Fe92  1  0.151071  0.166458  0.343583  1
  Fe  Fe93  1  0.097082  0.526474  0.287099  1
  Fe  Fe94  1  0.781779  0.513483  0.314035  1
  Fe  Fe95  1  0.817738  0.833124  0.343583  1
  Fe  Fe96  1  0.763748  0.193141  0.287098  1
  Fe  Fe97  1  0.448446  0.180149  0.314035  1
  Fe  Fe98  1  0.430415  0.859807  0.287098  1
  Fe  Fe99  1  0.115112  0.846815  0.314034  1
  Fe  Fe100  1  0.428024  0.794766  0.329024  1
  Fe  Fe101  1  0.094693  0.461433  0.329025  1
  Fe  Fe102  1  0.130966  0.777906  0.358589  1
  Fe  Fe103  1  0.726613  0.810397  0.297502  1
  Fe  Fe104  1  0.761359  0.128099  0.329025  1
  Fe  Fe105  1  0.797635  0.444574  0.358589  1
  Fe  Fe106  1  0.393279  0.477063  0.297502  1
  Fe  Fe107  1  0.464300  0.111240  0.358589  1
  Fe  Fe108  1  0.059945  0.143731  0.297502  1
  Fe  Fe109  1  0.432736  0.712639  0.369607  1
  Fe  Fe110  1  0.099400  0.379305  0.369609  1
  Fe  Fe111  1  0.134307  0.694992  0.399997  1
  Fe  Fe112  1  0.836621  0.678683  0.430013  1
  Fe  Fe113  1  0.766068  0.045971  0.369609  1
  Fe  Fe114  1  0.800975  0.361659  0.399997  1
  Fe  Fe115  1  0.503286  0.345351  0.430012  1
  Fe  Fe116  1  0.467643  0.028327  0.399995  1
  Fe  Fe117  1  0.169950  0.012016  0.430014  1
  Fe  Fe118  1  0.578825  0.533933  0.388262  1
  Fe  Fe119  1  0.245491  0.200599  0.388261  1
  Fe  Fe120  1  0.278813  0.516370  0.418632  1
  Fe  Fe121  1  0.979224  0.498749  0.449170  1
  Fe  Fe122  1  0.912159  0.867266  0.388262  1
  Fe  Fe123  1  0.945478  0.183037  0.418631  1
  Fe  Fe124  1  0.645890  0.165417  0.449170  1
  Fe  Fe125  1  0.612145  0.849703  0.418632  1
  Fe  Fe126  1  0.312556  0.832083  0.449170  1
  Fe  Fe127  1  0.600564  0.713541  0.369156  1
  Fe  Fe128  1  0.267248  0.380203  0.369160  1
  Fe  Fe129  1  0.301048  0.695060  0.399337  1
  Fe  Fe130  1  0.002758  0.678426  0.429366  1
  Fe  Fe131  1  0.933915  0.046870  0.369160  1
  Fe  Fe132  1  0.967715  0.361726  0.399337  1
  Fe  Fe133  1  0.669424  0.345093  0.429366  1
  Fe  Fe134  1  0.634381  0.028393  0.399337  1
  Fe  Fe135  1  0.336092  0.011760  0.429366  1
  Fe  Fe136  1  0.743774  0.533935  0.387806  1
  Fe  Fe137  1  0.410441  0.200602  0.387805  1
  Fe  Fe138  1  0.445248  0.517211  0.418268  1
  Fe  Fe139  1  0.146189  0.499524  0.449201  1
  Fe  Fe140  1  0.077108  0.867269  0.387806  1
  Fe  Fe141  1  0.111913  0.183878  0.418268  1
  Fe  Fe142  1  0.812857  0.166192  0.449200  1
  Fe  Fe143  1  0.778579  0.850545  0.418268  1
  Fe  Fe144  1  0.479524  0.832858  0.449200  1
  Fe  Fe145  1  0.532173  0.635571  0.403487  1
  Fe  Fe146  1  0.198840  0.302237  0.403487  1
  Fe  Fe147  1  0.232826  0.617941  0.433780  1
  Fe  Fe148  1  0.830963  0.652629  0.372467  1
  Fe  Fe149  1  0.865507  0.968904  0.403487  1
  Fe  Fe150  1  0.899491  0.284608  0.433780  1
  Fe  Fe151  1  0.497636  0.319292  0.372467  1
  Fe  Fe152  1  0.566159  0.951274  0.433780  1
  Fe  Fe153  1  0.164303  0.985958  0.372467  1
  Fe  Fe154  1  0.582304  0.561213  0.443653  1
  Fe  Fe155  1  0.248970  0.227883  0.443652  1
  Fe  Fe156  1  0.178457  0.593697  0.383131  1
  Fe  Fe157  1  0.879084  0.577275  0.413220  1
  Fe  Fe158  1  0.915637  0.894550  0.443652  1
  Fe  Fe159  1  0.845124  0.260363  0.383131  1
  Fe  Fe160  1  0.545751  0.243943  0.413219  1
  Fe  Fe161  1  0.511791  0.927030  0.383131  1
  Fe  Fe162  1  0.212417  0.910609  0.413219  1
  Fe  Fe163  1  0.696913  0.747845  0.413185  1
  Fe  Fe164  1  0.363581  0.414513  0.413184  1
  Fe  Fe165  1  0.399025  0.729934  0.444058  1
  Fe  Fe166  1  0.993748  0.764748  0.382861  1
  Fe  Fe167  1  0.030247  0.081179  0.413184  1
  Fe  Fe168  1  0.065693  0.396601  0.444058  1
  Fe  Fe169  1  0.660415  0.431415  0.382861  1
  Fe  Fe170  1  0.732359  0.063267  0.444058  1
  Fe  Fe171  1  0.327079  0.098080  0.382861  1
  Fe  Fe172  1  0.744481  0.449831  0.430646  1
  Fe  Fe173  1  0.411148  0.116498  0.430646  1
  Fe  Fe174  1  0.344940  0.485105  0.368699  1
  Fe  Fe175  1  0.044397  0.466974  0.399736  1
  Fe  Fe176  1  0.077815  0.783165  0.430646  1
  Fe  Fe177  1  0.011607  0.151772  0.368699  1
  Fe  Fe178  1  0.711063  0.133640  0.399736  1
  Fe  Fe179  1  0.678275  0.818437  0.368699  1
  Fe  Fe180  1  0.377731  0.800307  0.399736  1
  Fe  Fe181  1  0.749632  0.559707  0.445443  1
  Fe  Fe182  1  0.416301  0.226374  0.445443  1
  Fe  Fe183  1  0.347734  0.593647  0.383994  1
  Fe  Fe184  1  0.047644  0.575963  0.415175  1
  Fe  Fe185  1  0.082967  0.893041  0.445443  1
  Fe  Fe186  1  0.014400  0.260314  0.383994  1
  Fe  Fe187  1  0.714310  0.242630  0.415175  1
  Fe  Fe188  1  0.681067  0.926980  0.383993  1
  Fe  Fe189  1  0.380977  0.909297  0.415175  1
  Fe  Fe190  1  0.701618  0.634648  0.404824  1
  Fe  Fe191  1  0.368283  0.301317  0.404822  1
  Fe  Fe192  1  0.400019  0.616962  0.435045  1
  Fe  Fe193  1  1.000501  0.650843  0.374721  1
  Fe  Fe194  1  0.034951  0.967984  0.404823  1
  Fe  Fe195  1  0.066684  0.283630  0.435045  1
  Fe  Fe196  1  0.667168  0.317510  0.374721  1
  Fe  Fe197  1  0.733351  0.950296  0.435045  1
  Fe  Fe198  1  0.333833  0.984177  0.374721  1
  Fe  Fe199  1  0.583043  0.448178  0.434439  1
  Fe  Fe200  1  0.249710  0.114845  0.434437  1
  Fe  Fe201  1  0.184162  0.481210  0.375260  1
  Fe  Fe202  1  0.883294  0.463955  0.404781  1
  Fe  Fe203  1  0.916378  0.781511  0.434438  1
  Fe  Fe204  1  0.850828  0.147877  0.375260  1
  Fe  Fe205  1  0.549962  0.130621  0.404780  1
  Fe  Fe206  1  0.517495  0.814544  0.375261  1
  Fe  Fe207  1  0.216628  0.797287  0.404780  1
  Fe  Fe208  1  0.535147  0.744039  0.418709  1
  Fe  Fe209  1  0.201814  0.410706  0.418709  1
  Fe  Fe210  1  0.237154  0.727270  0.448230  1
  Fe  Fe211  1  0.834219  0.761781  0.388474  1
  Fe  Fe212  1  0.868481  0.077373  0.418709  1
  Fe  Fe213  1  0.903821  0.393936  0.448230  1
  Fe  Fe214  1  0.500893  0.428452  0.388475  1
  Fe  Fe215  1  0.570488  0.060603  0.448230  1
  Fe  Fe216  1  0.167560  0.095119  0.388475  1
  Fe  Fe217  1  0.537550  0.661923  0.460164  1
  Fe  Fe218  1  0.204219  0.328590  0.460164  1
  Fe  Fe219  1  0.238613  0.644269  0.490934  1
  Fe  Fe220  1  0.940523  0.627584  0.521026  1
  Fe  Fe221  1  0.870885  0.995256  0.460164  1
  Fe  Fe222  1  0.905278  0.310937  0.490934  1
  Fe  Fe223  1  0.607188  0.294252  0.521026  1
  Fe  Fe224  1  0.571947  0.977602  0.490934  1
  Fe  Fe225  1  0.273857  0.960918  0.521026  1
  Fe  Fe226  1  0.681303  0.482491  0.479513  1
  Fe  Fe227  1  0.347966  0.149159  0.479509  1
  Fe  Fe228  1  0.382199  0.465779  0.509627  1
  Fe  Fe229  1  0.082286  0.448683  0.540038  1
  Fe  Fe230  1  0.014632  0.815826  0.479510  1
  Fe  Fe231  1  0.048860  0.132447  0.509624  1
  Fe  Fe232  1  0.748956  0.115349  0.540038  1
  Fe  Fe233  1  0.715527  0.799113  0.509624  1
  Fe  Fe234  1  0.415622  0.782016  0.540038  1
  Fe  Fe235  1  0.704988  0.661720  0.460007  1
  Fe  Fe236  1  0.371655  0.328388  0.460006  1
  Fe  Fe237  1  0.405076  0.644621  0.490420  1
  Fe  Fe238  1  0.105975  0.627911  0.520534  1
  Fe  Fe239  1  0.038322  0.995053  0.460006  1
  Fe  Fe240  1  0.071743  0.311289  0.490420  1
  Fe  Fe241  1  0.772640  0.294577  0.520535  1
  Fe  Fe242  1  0.738408  0.977955  0.490421  1
  Fe  Fe243  1  0.439307  0.961244  0.520534  1
  Fe  Fe244  1  0.846743  0.482819  0.479020  1
  Fe  Fe245  1  0.513416  0.149487  0.479018  1
  Fe  Fe246  1  0.548681  0.466131  0.509114  1
  Fe  Fe247  1  0.249726  0.448479  0.539880  1
  Fe  Fe248  1  0.180083  0.816153  0.479018  1
  Fe  Fe249  1  0.215327  0.132798  0.509110  1
  Fe  Fe250  1  0.916394  0.115146  0.539879  1
  Fe  Fe251  1  0.881994  0.799466  0.509110  1
  Fe  Fe252  1  0.583061  0.781813  0.539879  1
  Fe  Fe253  1  0.634430  0.583717  0.494728  1
  Fe  Fe254  1  0.301097  0.250384  0.494728  1
  Fe  Fe255  1  0.334819  0.566433  0.525217  1
  Fe  Fe256  1  0.934643  0.601018  0.463701  1
  Fe  Fe257  1  0.967762  0.917050  0.494728  1
  Fe  Fe258  1  1.001489  0.233100  0.525218  1
  Fe  Fe259  1  0.601311  0.267686  0.463701  1
  Fe  Fe260  1  0.668152  0.899766  0.525217  1
  Fe  Fe261  1  0.267977  0.934351  0.463701  1
  Fe  Fe262  1  0.684162  0.510684  0.534362  1
  Fe  Fe263  1  0.350826  0.177368  0.534353  1
  Fe  Fe264  1  0.285977  0.543968  0.474670  1
  Fe  Fe265  1  0.983470  0.527137  0.504526  1
  Fe  Fe266  1  0.017492  0.844035  0.534353  1
  Fe  Fe267  1  0.952643  0.210635  0.474670  1
  Fe  Fe268  1  0.650140  0.193808  0.504524  1
  Fe  Fe269  1  0.619310  0.877302  0.474670  1
  Fe  Fe270  1  0.316807  0.860475  0.504524  1
  Fe  Fe271  1  0.805556  0.696127  0.504798  1
  Fe  Fe272  1  0.472232  0.362800  0.504797  1
  Fe  Fe273  1  0.504051  0.678934  0.535045  1
  Fe  Fe274  1  0.103103  0.712790  0.474744  1
  Fe  Fe275  1  0.138894  0.029464  0.504796  1
  Fe  Fe276  1  0.170720  0.345604  0.535045  1
  Fe  Fe277  1  0.769772  0.379459  0.474744  1
  Fe  Fe278  1  0.837385  0.012268  0.535045  1
  Fe  Fe279  1  0.436437  0.046124  0.474743  1
  Fe  Fe280  1  0.846339  0.399243  0.522581  1
  Fe  Fe281  1  0.513013  0.065912  0.522577  1
  Fe  Fe282  1  0.445797  0.433454  0.461326  1
  Fe  Fe283  1  0.145619  0.416474  0.491943  1
  Fe  Fe284  1  0.179678  0.732580  0.522577  1
  Fe  Fe285  1  0.112461  0.100120  0.461325  1
  Fe  Fe286  1  0.812281  0.083137  0.491943  1
  Fe  Fe287  1  0.779128  0.766786  0.461325  1
  Fe  Fe288  1  0.478949  0.749805  0.491943  1
  Fe  Fe289  1  0.852628  0.509385  0.536346  1
  Fe  Fe290  1  0.519301  0.176055  0.536339  1
  Fe  Fe291  1  0.452453  0.543967  0.474827  1
  Fe  Fe292  1  0.152844  0.526685  0.505318  1
  Fe  Fe293  1  0.185969  0.842723  0.536340  1
  Fe  Fe294  1  0.119118  0.210635  0.474826  1
  Fe  Fe295  1  0.819505  0.193351  0.505319  1
  Fe  Fe296  1  0.785785  0.877302  0.474826  1
  Fe  Fe297  1  0.486172  0.860018  0.505319  1
  Fe  Fe298  1  0.803804  0.583263  0.495518  1
  Fe  Fe299  1  0.470469  0.249934  0.495518  1
  Fe  Fe300  1  0.501303  0.566432  0.525373  1
  Fe  Fe301  1  0.103113  0.599700  0.465692  1
  Fe  Fe302  1  0.137136  0.916599  0.495518  1
  Fe  Fe303  1  0.167962  0.233101  0.525374  1
  Fe  Fe304  1  0.769776  0.266369  0.465693  1
  Fe  Fe305  1  0.834631  0.899766  0.525373  1
  Fe  Fe306  1  0.436445  0.933033  0.465692  1
  Fe  Fe307  1  0.684177  0.397617  0.525309  1
  Fe  Fe308  1  0.350837  0.064281  0.525300  1
  Fe  Fe309  1  0.283220  0.431464  0.465000  1
  Fe  Fe310  1  0.981710  0.414270  0.495248  1
  Fe  Fe311  1  0.017505  0.730948  0.525300  1
  Fe  Fe312  1  0.949887  0.098130  0.464999  1
  Fe  Fe313  1  0.648380  0.080935  0.495246  1
  Fe  Fe314  1  0.616554  0.764797  0.465000  1
  Fe  Fe315  1  0.315047  0.747601  0.495246  1
  Fe  Fe316  1  0.641657  0.693931  0.508102  1
  Fe  Fe317  1  0.308324  0.360598  0.508101  1
  Fe  Fe318  1  0.341481  0.676948  0.538720  1
  Fe  Fe319  1  0.940933  0.711158  0.477463  1
  Fe  Fe320  1  0.974990  0.027264  0.508101  1
  Fe  Fe321  1  0.008144  0.343614  0.538719  1
  Fe  Fe322  1  0.607601  0.377823  0.477463  1
  Fe  Fe323  1  0.674814  0.010280  0.538720  1
  Fe  Fe324  1  0.274267  0.044491  0.477463  1
  Fe  Fe325  1  0.641082  0.610874  0.550844  1
  Fe  Fe326  1  0.307751  0.277543  0.550843  1
  Fe  Fe327  1  0.342034  0.593189  0.581778  1
  Fe  Fe328  1  0.043497  0.576465  0.612240  1
  Fe  Fe329  1  0.974419  0.944208  0.550844  1
  Fe  Fe330  1  0.008694  0.259858  0.581777  1
  Fe  Fe331  1  0.710169  0.243130  0.612240  1
  Fe  Fe332  1  0.675366  0.926523  0.581778  1
  Fe  Fe333  1  0.376835  0.909796  0.612241  1
  Fe  Fe334  1  0.784522  0.431979  0.570681  1
  Fe  Fe335  1  0.451189  0.098640  0.570680  1
  Fe  Fe336  1  0.486221  0.415338  0.600710  1
  Fe  Fe337  1  0.186697  0.396859  0.630888  1
  Fe  Fe338  1  0.117852  0.765308  0.570679  1
  Fe  Fe339  1  0.152895  0.082006  0.600709  1
  Fe  Fe340  1  0.853382  0.063525  0.630890  1
  Fe  Fe341  1  0.819560  0.748673  0.600709  1
  Fe  Fe342  1  0.520050  0.730192  0.630890  1
  Fe  Fe343  1  0.808051  0.611649  0.550875  1
  Fe  Fe344  1  0.474715  0.278321  0.550876  1
  Fe  Fe345  1  0.508458  0.594028  0.581413  1
  Fe  Fe346  1  0.208450  0.576466  0.611783  1
  Fe  Fe347  1  0.141384  0.944980  0.550875  1
  Fe  Fe348  1  0.175128  0.260701  0.581413  1
  Fe  Fe349  1  0.875115  0.243134  0.611783  1
  Fe  Fe350  1  0.841792  0.927367  0.581414  1
  Fe  Fe351  1  0.541784  0.909798  0.611782  1
  Fe  Fe352  1  0.950646  0.431714  0.570033  1
  Fe  Fe353  1  0.617311  0.098381  0.570031  1
  Fe  Fe354  1  0.652949  0.415420  0.600042  1
  Fe  Fe355  1  0.354548  0.397765  0.630438  1
  Fe  Fe356  1  0.283979  0.765050  0.570030  1
  Fe  Fe357  1  0.319625  0.082073  0.600053  1
  Fe  Fe358  1  0.021212  0.064427  0.630438  1
  Fe  Fe359  1  0.986295  0.748742  0.600052  1
  Fe  Fe360  1  0.687877  0.731096  0.630438  1
  Fe  Fe361  1  0.739640  0.534455  0.584869  1
  Fe  Fe362  1  0.406294  0.201100  0.584871  1
  Fe  Fe363  1  0.439544  0.516754  0.616053  1
  Fe  Fe364  1  0.037643  0.550696  0.554602  1
  Fe  Fe365  1  0.072958  0.867767  0.584872  1
  Fe  Fe366  1  0.106206  0.183423  0.616052  1
  Fe  Fe367  1  0.704311  0.217361  0.554602  1
  Fe  Fe368  1  0.772877  0.850088  0.616052  1
  Fe  Fe369  1  0.370979  0.884031  0.554603  1
  Fe  Fe370  1  0.786745  0.459557  0.625320  1
  Fe  Fe371  1  0.453439  0.126224  0.625325  1
  Fe  Fe372  1  0.387260  0.493432  0.565001  1
  Fe  Fe373  1  0.085669  0.475754  0.595223  1
  Fe  Fe374  1  0.120106  0.792891  0.625325  1
  Fe  Fe375  1  0.053917  0.160106  0.564998  1
  Fe  Fe376  1  0.752319  0.142417  0.595219  1
  Fe  Fe377  1  0.720583  0.826768  0.564999  1
  Fe  Fe378  1  0.418986  0.809085  0.595219  1
  Fe  Fe379  1  0.903978  0.646445  0.595264  1
  Fe  Fe380  1  0.570650  0.313102  0.595264  1
  Fe  Fe381  1  0.603112  0.629192  0.624783  1
  Fe  Fe382  1  0.204227  0.662227  0.565606  1
  Fe  Fe383  1  0.237312  0.979778  0.595265  1
  Fe  Fe384  1  0.269777  0.295853  0.624781  1
  Fe  Fe385  1  0.870897  0.328890  0.565604  1
  Fe  Fe386  1  0.936442  0.962523  0.624783  1
  Fe  Fe387  1  0.537563  0.995563  0.565605  1
  Fe  Fe388  1  0.953036  0.348630  0.611568  1
  Fe  Fe389  1  0.619722  0.015291  0.611574  1
  Fe  Fe390  1  0.550134  0.383134  0.551814  1
  Fe  Fe391  1  0.252125  0.366361  0.581336  1
  Fe  Fe392  1  0.286388  0.681958  0.611574  1
  Fe  Fe393  1  0.216784  0.049800  0.551816  1
  Fe  Fe394  1  0.918795  0.033028  0.581337  1
  Fe  Fe395  1  0.883450  0.716467  0.551816  1
  Fe  Fe396  1  0.585462  0.699697  0.581336  1
  Fe  Fe397  1  0.956285  0.457768  0.627569  1
  Fe  Fe398  1  0.622968  0.124433  0.627578  1
  Fe  Fe399  1  0.554466  0.492460  0.566264  1
  Fe  Fe400  1  0.255096  0.474832  0.596556  1
  Fe  Fe401  1  0.289636  0.791099  0.627578  1
  Fe  Fe402  1  0.221113  0.159120  0.566266  1
  Fe  Fe403  1  0.921767  0.141496  0.596559  1
  Fe  Fe404  1  0.887777  0.825789  0.566266  1
  Fe  Fe405  1  0.588429  0.808161  0.596558  1
  Fe  Fe406  1  0.908189  0.533130  0.586825  1
  Fe  Fe407  1  0.574852  0.199789  0.586824  1
  Fe  Fe408  1  0.608825  0.516717  0.616917  1
  Fe  Fe409  1  0.204968  0.549188  0.556394  1
  Fe  Fe410  1  0.241518  0.866459  0.586823  1
  Fe  Fe411  1  0.275481  0.183372  0.616915  1
  Fe  Fe412  1  0.871636  0.215855  0.556393  1
  Fe  Fe413  1  0.942142  0.850038  0.616915  1
  Fe  Fe414  1  0.538300  0.882524  0.556394  1
  Fe  Fe415  1  0.793516  0.345657  0.617185  1
  Fe  Fe416  1  0.460188  0.012326  0.617187  1
  Fe  Fe417  1  0.388253  0.380468  0.555987  1
  Fe  Fe418  1  0.090359  0.362560  0.586862  1
  Fe  Fe419  1  0.126859  0.678989  0.617184  1
  Fe  Fe420  1  0.054910  0.047133  0.555985  1
  Fe  Fe421  1  0.757031  0.029226  0.586861  1
  Fe  Fe422  1  0.721577  0.713799  0.555984  1
  Fe  Fe423  1  0.423697  0.695892  0.586861  1
  Fe  Fe424  1  0.742876  0.643432  0.600309  1
  Fe  Fe425  1  0.409542  0.310093  0.600309  1
  Fe  Fe426  1  0.442328  0.625298  0.631345  1
  Fe  Fe427  1  0.042790  0.660573  0.569400  1
  Fe  Fe428  1  0.076207  0.976759  0.600308  1
  Fe  Fe429  1  0.108998  0.291966  0.631345  1
  Fe  Fe430  1  0.709463  0.327225  0.569399  1
  Fe  Fe431  1  0.775661  0.958633  0.631346  1
  Fe  Fe432  1  0.376121  0.993908  0.569401  1
  Fe  Fe433  1  0.745291  0.560477  0.642357  1
  Fe  Fe434  1  0.411955  0.227147  0.642357  1
  Fe  Fe435  1  0.444357  0.544194  0.672354  1
  Fe  Fe436  1  0.145780  0.519259  0.703811  1
  Fe  Fe437  1  0.078625  0.893810  0.642355  1
  Fe  Fe438  1  0.111026  0.210864  0.672354  1
  Fe  Fe439  1  0.812447  0.185927  0.703813  1
  Fe  Fe440  1  0.777697  0.877529  0.672352  1
  Fe  Fe441  1  0.479117  0.852595  0.703812  1
  Fe  Fe442  1  0.889120  0.381078  0.661690  1
  Fe  Fe443  1  0.555803  0.047743  0.661692  1
  Fe  Fe444  1  0.590188  0.365106  0.691348  1
  Fe  Fe445  1  0.289388  0.357325  0.723298  1
  Fe  Fe446  1  0.222469  0.714408  0.661692  1
  Fe  Fe447  1  0.256851  0.031772  0.691351  1
  Fe  Fe448  1  0.956056  0.023991  0.723300  1
  Fe  Fe449  1  0.923518  0.698438  0.691350  1
  Fe  Fe450  1  0.622722  0.690658  0.723300  1
  Fe  Fe451  1  0.911425  0.561552  0.641831  1
  Fe  Fe452  1  0.578092  0.228222  0.641830  1
  Fe  Fe453  1  0.612647  0.542405  0.672601  1
  Fe  Fe454  1  0.310335  0.525147  0.703851  1
  Fe  Fe455  1  0.244760  0.894888  0.641829  1
  Fe  Fe456  1  0.279315  0.209071  0.672602  1
  Fe  Fe457  1  0.976995  0.191814  0.703850  1
  Fe  Fe458  1  0.945984  0.875739  0.672600  1
  Fe  Fe459  1  0.643656  0.858480  0.703851  1
  Fe  Fe460  1  0.052948  0.378393  0.660740  1
  Fe  Fe461  1  0.719613  0.045053  0.660743  1
  Fe  Fe462  1  0.756515  0.363299  0.691026  1
  Fe  Fe463  1  0.457832  0.365315  0.722850  1
  Fe  Fe464  1  0.386280  0.711720  0.660742  1
  Fe  Fe465  1  0.423186  0.029962  0.691031  1
  Fe  Fe466  1  0.124499  0.031981  0.722852  1
  Fe  Fe467  1  0.089853  0.696629  0.691032  1
  Fe  Fe468  1  0.791166  0.698654  0.722852  1
  Fe  Fe469  1  0.844997  0.485645  0.674457  1
  Fe  Fe470  1  0.511666  0.152313  0.674458  1
  Fe  Fe471  1  0.546923  0.469352  0.705426  1
  Fe  Fe472  1  0.141092  0.499892  0.645740  1
  Fe  Fe473  1  0.178338  0.818979  0.674458  1
  Fe  Fe474  1  0.213585  0.136020  0.705426  1
  Fe  Fe475  1  0.807758  0.166563  0.645742  1
  Fe  Fe476  1  0.880251  0.802687  0.705426  1
  Fe  Fe477  1  0.474425  0.833230  0.645742  1
  Fe  Fe478  1  0.886386  0.410613  0.714320  1
  Fe  Fe479  1  0.553053  0.077281  0.714321  1
  Fe  Fe480  1  0.488357  0.442424  0.655275  1
  Fe  Fe481  1  0.182658  0.423151  0.683199  1
  Fe  Fe482  1  0.219720  0.743946  0.714321  1
  Fe  Fe483  1  0.155010  0.109087  0.655275  1
  Fe  Fe484  1  0.849330  0.089819  0.683201  1
  Fe  Fe485  1  0.821673  0.775750  0.655273  1
  Fe  Fe486  1  0.515996  0.756485  0.683201  1
  Fe  Fe487  1  0.005496  0.596918  0.686010  1
  Fe  Fe488  1  0.672165  0.263588  0.686010  1
  Fe  Fe489  1  0.690193  0.583929  0.712947  1
  Fe  Fe490  1  0.302870  0.610611  0.656462  1
  Fe  Fe491  1  0.338832  0.930255  0.686010  1
  Fe  Fe492  1  0.356861  0.250596  0.712946  1
  Fe  Fe493  1  0.969537  0.277274  0.656461  1
  Fe  Fe494  1  0.023527  0.917261  0.712946  1
  Fe  Fe495  1  0.636207  0.943945  0.656462  1
  Fe  Fe496  1  0.060659  0.300008  0.702543  1
  Fe  Fe497  1  0.727325  0.966678  0.702543  1
  Fe  Fe498  1  0.656301  0.332494  0.641453  1
  Fe  Fe499  1  0.359251  0.315639  0.671019  1
  Fe  Fe500  1  0.393991  0.633344  0.702544  1
  Fe  Fe501  1  0.322977  0.999167  0.641456  1
  Fe  Fe502  1  0.025918  0.982302  0.671021  1
  Fe  Fe503  1  0.989648  0.665830  0.641457  1
  Fe  Fe504  1  0.692585  0.648968  0.671021  1
  Fe  Fe505  1  0.058002  0.411925  0.717849  1
  Fe  Fe506  1  0.724672  0.078594  0.717851  1
  Fe  Fe507  1  0.658549  0.441121  0.657660  1
  Fe  Fe508  1  0.356009  0.422972  0.686561  1
  Fe  Fe509  1  0.391338  0.745260  0.717851  1
  Fe  Fe510  1  0.325225  0.107782  0.657661  1
  Fe  Fe511  1  0.022679  0.089643  0.686562  1
  Fe  Fe512  1  0.991890  0.774449  0.657660  1
  Fe  Fe513  1  0.689345  0.756308  0.686562  1
  Fe  Fe514  1  0.010626  0.482045  0.677822  1
  Fe  Fe515  1  0.677291  0.148709  0.677820  1
  Fe  Fe516  1  0.723120  0.467306  0.707708  1
  Fe  Fe517  1  0.305563  0.498181  0.647506  1
  Fe  Fe518  1  0.343960  0.815375  0.677820  1
  Fe  Fe519  1  0.389785  0.133975  0.707708  1
  Fe  Fe520  1  0.972227  0.164853  0.647506  1
  Fe  Fe521  1  0.056452  0.800642  0.707708  1
  Fe  Fe522  1  0.638901  0.831518  0.647506  1
  Fe  Fe523  1  0.890468  0.296165  0.706852  1
  Fe  Fe524  1  0.557131  0.962833  0.706853  1
  Fe  Fe525  1  0.497764  0.329090  0.647912  1
  Fe  Fe526  1  0.203206  0.310186  0.679600  1
  Fe  Fe527  1  0.223797  0.629500  0.706853  1
  Fe  Fe528  1  0.164425  0.995755  0.647915  1
  Fe  Fe529  1  0.869875  0.976855  0.679601  1
  Fe  Fe530  1  0.831092  0.662422  0.647915  1
  Fe  Fe531  1  0.536539  0.643519  0.679601  1
  Fe  Fe532  1  0.841729  0.593795  0.694512  1
  Fe  Fe533  1  0.508398  0.260463  0.694512  1
  Fe  Fe534  1  0.529852  0.581765  0.724761  1
  Fe  Fe535  1  0.144883  0.609006  0.661438  1
  Fe  Fe536  1  0.175064  0.927129  0.694512  1
  Fe  Fe537  1  0.196514  0.248428  0.724760  1
  Fe  Fe538  1  0.811554  0.275676  0.661439  1
  Fe  Fe539  1  0.863175  0.915094  0.724760  1
  Fe  Fe540  1  0.478225  0.942342  0.661439  1
  C  C541  1  0.624594  0.749478  0.287136  1
  C  C542  1  0.291261  0.416144  0.287137  1
  C  C543  1  0.324897  0.737516  0.316647  1
  C  C544  1  0.025398  0.721783  0.347171  1
  C  C545  1  0.957928  0.082811  0.287137  1
  C  C546  1  0.991562  0.404183  0.316647  1
  C  C547  1  0.692063  0.388450  0.347171  1
  C  C548  1  0.658228  0.070850  0.316646  1
  C  C549  1  0.358729  0.055117  0.347171  1
  C  C550  1  0.558434  0.571017  0.326392  1
  C  C551  1  0.225101  0.237683  0.326392  1
  C  C552  1  0.256350  0.552291  0.357388  1
  C  C553  1  0.856068  0.585374  0.297430  1
  C  C554  1  0.891768  0.904350  0.326392  1
  C  C555  1  0.923017  0.218957  0.357388  1
  C  C556  1  0.522736  0.252040  0.297430  1
  C  C557  1  0.589684  0.885624  0.357388  1
  C  C558  1  0.189401  0.918707  0.297430  1
  C  C559  1  0.517252  0.728465  0.339521  1
  C  C560  1  0.183910  0.395134  0.339513  1
  C  C561  1  0.114765  0.757553  0.278538  1
  C  C562  1  0.816129  0.743847  0.308347  1
  C  C563  1  0.850576  0.061800  0.339514  1
  C  C564  1  0.781430  0.424220  0.278538  1
  C  C565  1  0.482793  0.410514  0.308347  1
  C  C566  1  0.448098  0.090887  0.278538  1
  C  C567  1  0.149461  0.077180  0.308348  1
  C  C568  1  0.348250  0.593344  0.289761  1
  C  C569  1  0.014919  0.260014  0.289762  1
  C  C570  1  0.046463  0.573886  0.319374  1
  C  C571  1  0.748802  0.557375  0.349438  1
  C  C572  1  0.681585  0.926681  0.289762  1
  C  C573  1  0.713131  0.240552  0.319374  1
  C  C574  1  0.415470  0.224041  0.349438  1
  C  C575  1  0.379797  0.907219  0.319374  1
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