# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.09111499
_cell_length_b   20.91277380
_cell_length_c   47.45708735
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   86.41539024
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe540 C180'
_cell_volume   15938.533316
_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  0.128346  0.818815  0.310020  1
  Fe  Fe2  1  0.461679  0.485482  0.310020  1
  Fe  Fe3  1  0.436506  0.804026  0.340418  1
  Fe  Fe4  1  0.795013  0.152149  0.310020  1
  Fe  Fe5  1  0.769839  0.470693  0.340418  1
  Fe  Fe6  1  0.821270  0.835060  0.280298  1
  Fe  Fe7  1  0.103173  0.137359  0.340418  1
  Fe  Fe8  1  0.154603  0.501726  0.280298  1
  Fe  Fe9  1  0.487936  0.168393  0.280298  1
  Fe  Fe10  1  0.301119  0.704153  0.302958  1
  Fe  Fe11  1  0.634452  0.370819  0.302958  1
  Fe  Fe12  1  0.608964  0.690354  0.333544  1
  Fe  Fe13  1  0.967785  0.037486  0.302958  1
  Fe  Fe14  1  0.942297  0.357020  0.333544  1
  Fe  Fe15  1  0.007078  0.718301  0.276906  1
  Fe  Fe16  1  0.275630  0.023687  0.333544  1
  Fe  Fe17  1  0.340411  0.384968  0.276906  1
  Fe  Fe18  1  0.673745  0.051635  0.276906  1
  Fe  Fe19  1  0.147458  0.627079  0.352330  1
  Fe  Fe20  1  0.480791  0.293746  0.352330  1
  Fe  Fe21  1  0.533697  0.661080  0.291447  1
  Fe  Fe22  1  0.814124  0.960413  0.352330  1
  Fe  Fe23  1  0.867031  0.327747  0.291447  1
  Fe  Fe24  1  0.840437  0.644025  0.321797  1
  Fe  Fe25  1  0.200364  0.994413  0.291447  1
  Fe  Fe26  1  0.173771  0.310692  0.321797  1
  Fe  Fe27  1  0.507104  0.977358  0.321797  1
  Fe  Fe28  1  0.232037  0.595601  0.299342  1
  Fe  Fe29  1  0.565371  0.262267  0.299342  1
  Fe  Fe30  1  0.534371  0.580875  0.329638  1
  Fe  Fe31  1  0.898704  0.928934  0.299342  1
  Fe  Fe32  1  0.867705  0.247541  0.329638  1
  Fe  Fe33  1  0.841399  0.566283  0.359810  1
  Fe  Fe34  1  0.201038  0.914208  0.329638  1
  Fe  Fe35  1  0.174732  0.232949  0.359810  1
  Fe  Fe36  1  0.508065  0.899616  0.359810  1
  Fe  Fe37  1  0.307026  0.815974  0.307862  1
  Fe  Fe38  1  0.640359  0.482641  0.307862  1
  Fe  Fe39  1  0.612902  0.801707  0.337600  1
  Fe  Fe40  1  0.973693  0.149308  0.307862  1
  Fe  Fe41  1  0.946235  0.468374  0.337600  1
  Fe  Fe42  1  0.999317  0.835830  0.276837  1
  Fe  Fe43  1  0.279569  0.135040  0.337600  1
  Fe  Fe44  1  0.332651  0.502497  0.276837  1
  Fe  Fe45  1  0.665984  0.169164  0.276837  1
  Fe  Fe46  1  0.139664  0.704204  0.307225  1
  Fe  Fe47  1  0.472997  0.370870  0.307225  1
  Fe  Fe48  1  0.446411  0.690930  0.337755  1
  Fe  Fe49  1  0.806331  0.037537  0.307225  1
  Fe  Fe50  1  0.779744  0.357597  0.337755  1
  Fe  Fe51  1  0.831949  0.720185  0.277207  1
  Fe  Fe52  1  0.113078  0.024264  0.337755  1
  Fe  Fe53  1  0.165283  0.386852  0.277207  1
  Fe  Fe54  1  0.498616  0.053519  0.277207  1
  Fe  Fe55  1  0.394397  0.599795  0.301454  1
  Fe  Fe56  1  0.727730  0.266462  0.301454  1
  Fe  Fe57  1  0.700196  0.585536  0.331359  1
  Fe  Fe58  1  0.061064  0.933128  0.301454  1
  Fe  Fe59  1  0.033529  0.252203  0.331359  1
  Fe  Fe60  1  0.007315  0.570686  0.360383  1
  Fe  Fe61  1  0.366862  0.918869  0.331359  1
  Fe  Fe62  1  0.340648  0.237353  0.360383  1
  Fe  Fe63  1  0.673981  0.904019  0.360383  1
  Fe  Fe64  1  0.324566  0.631959  0.349805  1
  Fe  Fe65  1  0.657899  0.298626  0.349805  1
  Fe  Fe66  1  0.698095  0.661039  0.289785  1
  Fe  Fe67  1  0.991232  0.965292  0.349805  1
  Fe  Fe68  1  0.031428  0.327706  0.289785  1
  Fe  Fe69  1  0.015940  0.646550  0.319741  1
  Fe  Fe70  1  0.364762  0.994373  0.289785  1
  Fe  Fe71  1  0.349273  0.313216  0.319741  1
  Fe  Fe72  1  0.682606  0.979883  0.319741  1
  Fe  Fe73  1  0.169535  0.521332  0.335478  1
  Fe  Fe74  1  0.502869  0.187999  0.335478  1
  Fe  Fe75  1  0.557289  0.553228  0.276508  1
  Fe  Fe76  1  0.836202  0.854666  0.335478  1
  Fe  Fe77  1  0.890622  0.219894  0.276508  1
  Fe  Fe78  1  0.862471  0.536908  0.305691  1
  Fe  Fe79  1  0.223955  0.886561  0.276508  1
  Fe  Fe80  1  0.195804  0.203575  0.305691  1
  Fe  Fe81  1  0.529138  0.870242  0.305691  1
  Fe  Fe82  1  0.236807  0.737613  0.349742  1
  Fe  Fe83  1  0.570140  0.404280  0.349742  1
  Fe  Fe84  1  0.620649  0.767238  0.289470  1
  Fe  Fe85  1  0.903473  0.070947  0.349742  1
  Fe  Fe86  1  0.953982  0.433905  0.289470  1
  Fe  Fe87  1  0.929019  0.751928  0.319355  1
  Fe  Fe88  1  0.287316  0.100572  0.289470  1
  Fe  Fe89  1  0.262353  0.418594  0.319355  1
  Fe  Fe90  1  0.595686  0.085261  0.319355  1
  Fe  Fe91  1  0.332135  0.526508  0.331806  1
  Fe  Fe92  1  0.665468  0.193175  0.331806  1
  Fe  Fe93  1  0.637863  0.511558  0.362098  1
  Fe  Fe94  1  0.998801  0.859842  0.331806  1
  Fe  Fe95  1  0.971196  0.178225  0.362098  1
  Fe  Fe96  1  0.020716  0.540614  0.301620  1
  Fe  Fe97  1  0.304529  0.844891  0.362098  1
  Fe  Fe98  1  0.354049  0.207281  0.301620  1
  Fe  Fe99  1  0.687383  0.873948  0.301620  1
  Fe  Fe100  1  0.069269  0.742429  0.349847  1
  Fe  Fe101  1  0.402602  0.409096  0.349847  1
  Fe  Fe102  1  0.452731  0.772835  0.290260  1
  Fe  Fe103  1  0.735936  0.075763  0.349847  1
  Fe  Fe104  1  0.786064  0.439501  0.290260  1
  Fe  Fe105  1  0.762277  0.757273  0.319625  1
  Fe  Fe106  1  0.119398  0.106168  0.290260  1
  Fe  Fe107  1  0.095611  0.423940  0.319625  1
  Fe  Fe108  1  0.428944  0.090606  0.319625  1
  Fe  Fe109  1  0.051957  0.773471  0.401398  1
  Fe  Fe110  1  0.385290  0.440138  0.401398  1
  Fe  Fe111  1  0.359401  0.758724  0.431570  1
  Fe  Fe112  1  0.718623  0.106804  0.401398  1
  Fe  Fe113  1  0.692734  0.425391  0.431570  1
  Fe  Fe114  1  0.743905  0.788034  0.370985  1
  Fe  Fe115  1  0.026067  0.092058  0.431570  1
  Fe  Fe116  1  0.077238  0.454700  0.370985  1
  Fe  Fe117  1  0.410572  0.121367  0.370985  1
  Fe  Fe118  1  0.223961  0.660156  0.393963  1
  Fe  Fe119  1  0.557294  0.326822  0.393963  1
  Fe  Fe120  1  0.531594  0.645264  0.424141  1
  Fe  Fe121  1  0.890627  0.993489  0.393963  1
  Fe  Fe122  1  0.864927  0.311931  0.424141  1
  Fe  Fe123  1  0.916489  0.675121  0.363323  1
  Fe  Fe124  1  0.198261  0.978598  0.424141  1
  Fe  Fe125  1  0.249822  0.341788  0.363323  1
  Fe  Fe126  1  0.583156  0.008455  0.363323  1
  Fe  Fe127  1  0.070467  0.582794  0.443272  1
  Fe  Fe128  1  0.403800  0.249460  0.443272  1
  Fe  Fe129  1  0.454998  0.612595  0.382592  1
  Fe  Fe130  1  0.737134  0.916127  0.443272  1
  Fe  Fe131  1  0.788331  0.279262  0.382592  1
  Fe  Fe132  1  0.762801  0.598222  0.412737  1
  Fe  Fe133  1  0.121664  0.945928  0.382592  1
  Fe  Fe134  1  0.096134  0.264889  0.412737  1
  Fe  Fe135  1  0.429467  0.931556  0.412737  1
  Fe  Fe136  1  0.147695  0.551020  0.390320  1
  Fe  Fe137  1  0.481029  0.217686  0.390320  1
  Fe  Fe138  1  0.455296  0.536054  0.420673  1
  Fe  Fe139  1  0.814362  0.884353  0.390320  1
  Fe  Fe140  1  0.788629  0.202720  0.420673  1
  Fe  Fe141  1  0.762999  0.521188  0.450877  1
  Fe  Fe142  1  0.121963  0.869387  0.420673  1
  Fe  Fe143  1  0.096332  0.187854  0.450877  1
  Fe  Fe144  1  0.429665  0.854521  0.450877  1
  Fe  Fe145  1  0.228583  0.771922  0.398306  1
  Fe  Fe146  1  0.561916  0.438589  0.398306  1
  Fe  Fe147  1  0.536046  0.756870  0.428587  1
  Fe  Fe148  1  0.895250  0.105255  0.398306  1
  Fe  Fe149  1  0.869379  0.423537  0.428587  1
  Fe  Fe150  1  0.920962  0.786641  0.367896  1
  Fe  Fe151  1  0.202713  0.090204  0.428587  1
  Fe  Fe152  1  0.254296  0.453308  0.367896  1
  Fe  Fe153  1  0.587629  0.119974  0.367896  1
  Fe  Fe154  1  0.062325  0.660680  0.398656  1
  Fe  Fe155  1  0.395659  0.327347  0.398656  1
  Fe  Fe156  1  0.369911  0.645709  0.428802  1
  Fe  Fe157  1  0.728992  0.994013  0.398656  1
  Fe  Fe158  1  0.703244  0.312376  0.428802  1
  Fe  Fe159  1  0.754567  0.675447  0.367965  1
  Fe  Fe160  1  0.036578  0.979042  0.428802  1
  Fe  Fe161  1  0.087900  0.342114  0.367965  1
  Fe  Fe162  1  0.421233  0.008781  0.367965  1
  Fe  Fe163  1  0.314723  0.555823  0.390685  1
  Fe  Fe164  1  0.648057  0.222490  0.390685  1
  Fe  Fe165  1  0.622329  0.541020  0.421120  1
  Fe  Fe166  1  0.981390  0.889157  0.390685  1
  Fe  Fe167  1  0.955663  0.207687  0.421120  1
  Fe  Fe168  1  0.930062  0.525900  0.451536  1
  Fe  Fe169  1  0.288996  0.874353  0.421120  1
  Fe  Fe170  1  0.263395  0.192567  0.451536  1
  Fe  Fe171  1  0.596728  0.859233  0.451536  1
  Fe  Fe172  1  0.247224  0.587085  0.440758  1
  Fe  Fe173  1  0.580557  0.253752  0.440758  1
  Fe  Fe174  1  0.631032  0.617395  0.380016  1
  Fe  Fe175  1  0.913891  0.920418  0.440758  1
  Fe  Fe176  1  0.964365  0.284062  0.380016  1
  Fe  Fe177  1  0.939037  0.602216  0.410458  1
  Fe  Fe178  1  0.297699  0.950728  0.380016  1
  Fe  Fe179  1  0.272370  0.268883  0.410458  1
  Fe  Fe180  1  0.605704  0.935549  0.410458  1
  Fe  Fe181  1  0.092433  0.476998  0.426867  1
  Fe  Fe182  1  0.425766  0.143664  0.426867  1
  Fe  Fe183  1  0.477297  0.507022  0.366329  1
  Fe  Fe184  1  0.759099  0.810331  0.426867  1
  Fe  Fe185  1  0.810631  0.173688  0.366329  1
  Fe  Fe186  1  0.784797  0.492489  0.396670  1
  Fe  Fe187  1  0.143964  0.840355  0.366329  1
  Fe  Fe188  1  0.118131  0.159155  0.396670  1
  Fe  Fe189  1  0.451464  0.825822  0.396670  1
  Fe  Fe190  1  0.160278  0.692826  0.440648  1
  Fe  Fe191  1  0.493611  0.359493  0.440648  1
  Fe  Fe192  1  0.544200  0.722966  0.379961  1
  Fe  Fe193  1  0.826945  0.026159  0.440648  1
  Fe  Fe194  1  0.877533  0.389633  0.379961  1
  Fe  Fe195  1  0.852702  0.707903  0.410332  1
  Fe  Fe196  1  0.210866  0.056299  0.379961  1
  Fe  Fe197  1  0.186036  0.374570  0.410332  1
  Fe  Fe198  1  0.519369  0.041236  0.410332  1
  Fe  Fe199  1  0.253922  0.481508  0.422846  1
  Fe  Fe200  1  0.587256  0.148174  0.422846  1
  Fe  Fe201  1  0.562037  0.467051  0.453183  1
  Fe  Fe202  1  0.920589  0.814841  0.422846  1
  Fe  Fe203  1  0.895370  0.133717  0.453183  1
  Fe  Fe204  1  0.946126  0.496784  0.392502  1
  Fe  Fe205  1  0.228704  0.800384  0.453183  1
  Fe  Fe206  1  0.279459  0.163451  0.392502  1
  Fe  Fe207  1  0.612792  0.830118  0.392502  1
  Fe  Fe208  1  0.992679  0.697663  0.441074  1
  Fe  Fe209  1  0.326013  0.364330  0.441074  1
  Fe  Fe210  1  0.376727  0.727703  0.380296  1
  Fe  Fe211  1  0.659346  0.030997  0.441074  1
  Fe  Fe212  1  0.710060  0.394369  0.380296  1
  Fe  Fe213  1  0.684709  0.712812  0.410558  1
  Fe  Fe214  1  0.043393  0.061036  0.380296  1
  Fe  Fe215  1  0.018043  0.379479  0.410558  1
  Fe  Fe216  1  0.351376  0.046145  0.410558  1
  Fe  Fe217  1  0.975168  0.728530  0.492321  1
  Fe  Fe218  1  0.308501  0.395197  0.492321  1
  Fe  Fe219  1  0.282729  0.713496  0.522585  1
  Fe  Fe220  1  0.641834  0.061864  0.492321  1
  Fe  Fe221  1  0.616063  0.380163  0.522585  1
  Fe  Fe222  1  0.667120  0.743521  0.461938  1
  Fe  Fe223  1  0.949396  0.046829  0.522585  1
  Fe  Fe224  1  1.000453  0.410188  0.461938  1
  Fe  Fe225  1  0.333786  0.076854  0.461938  1
  Fe  Fe226  1  0.147227  0.615176  0.484906  1
  Fe  Fe227  1  0.480560  0.281842  0.484906  1
  Fe  Fe228  1  0.454794  0.600171  0.515159  1
  Fe  Fe229  1  0.813894  0.948509  0.484906  1
  Fe  Fe230  1  0.788127  0.266838  0.515159  1
  Fe  Fe231  1  0.839297  0.630316  0.454401  1
  Fe  Fe232  1  0.121460  0.933504  0.515159  1
  Fe  Fe233  1  0.172631  0.296983  0.454401  1
  Fe  Fe234  1  0.505964  0.963649  0.454401  1
  Fe  Fe235  1  0.993780  0.537909  0.534295  1
  Fe  Fe236  1  0.327113  0.204576  0.534295  1
  Fe  Fe237  1  0.378380  0.567872  0.473580  1
  Fe  Fe238  1  0.660446  0.871242  0.534295  1
  Fe  Fe239  1  0.711713  0.234539  0.473580  1
  Fe  Fe240  1  0.685948  0.552968  0.503803  1
  Fe  Fe241  1  0.045047  0.901206  0.473580  1
  Fe  Fe242  1  0.019281  0.219635  0.503803  1
  Fe  Fe243  1  0.352614  0.886301  0.503803  1
  Fe  Fe244  1  0.070719  0.506174  0.481323  1
  Fe  Fe245  1  0.404052  0.172841  0.481323  1
  Fe  Fe246  1  0.378659  0.491030  0.511642  1
  Fe  Fe247  1  0.737386  0.839507  0.481323  1
  Fe  Fe248  1  0.711993  0.157697  0.511642  1
  Fe  Fe249  1  0.686241  0.476071  0.541886  1
  Fe  Fe250  1  0.045326  0.824363  0.511642  1
  Fe  Fe251  1  0.019574  0.142738  0.541886  1
  Fe  Fe252  1  0.352907  0.809404  0.541886  1
  Fe  Fe253  1  0.151724  0.726767  0.489343  1
  Fe  Fe254  1  0.485058  0.393434  0.489343  1
  Fe  Fe255  1  0.459403  0.711887  0.519594  1
  Fe  Fe256  1  0.818391  0.060100  0.489343  1
  Fe  Fe257  1  0.792736  0.378554  0.519594  1
  Fe  Fe258  1  0.844007  0.741947  0.458917  1
  Fe  Fe259  1  0.126069  0.045220  0.519594  1
  Fe  Fe260  1  0.177340  0.408614  0.458917  1
  Fe  Fe261  1  0.510674  0.075281  0.458917  1
  Fe  Fe262  1  0.985554  0.615642  0.489404  1
  Fe  Fe263  1  0.318887  0.282309  0.489404  1
  Fe  Fe264  1  0.293243  0.600560  0.519731  1
  Fe  Fe265  1  0.652221  0.948975  0.489404  1
  Fe  Fe266  1  0.626576  0.267227  0.519731  1
  Fe  Fe267  1  0.677437  0.630744  0.458983  1
  Fe  Fe268  1  0.959910  0.933894  0.519731  1
  Fe  Fe269  1  0.010771  0.297411  0.458983  1
  Fe  Fe270  1  0.344104  0.964077  0.458983  1
  Fe  Fe271  1  0.237864  0.510886  0.481892  1
  Fe  Fe272  1  0.571198  0.177552  0.481892  1
  Fe  Fe273  1  0.545551  0.495945  0.512166  1
  Fe  Fe274  1  0.904531  0.844219  0.481892  1
  Fe  Fe275  1  0.878885  0.162612  0.512166  1
  Fe  Fe276  1  0.853225  0.481018  0.542495  1
  Fe  Fe277  1  0.212218  0.829278  0.512166  1
  Fe  Fe278  1  0.186558  0.147685  0.542495  1
  Fe  Fe279  1  0.519891  0.814351  0.542495  1
  Fe  Fe280  1  0.170191  0.542345  0.531755  1
  Fe  Fe281  1  0.503524  0.209011  0.531755  1
  Fe  Fe282  1  0.554746  0.572322  0.471029  1
  Fe  Fe283  1  0.836858  0.875678  0.531755  1
  Fe  Fe284  1  0.888079  0.238989  0.471029  1
  Fe  Fe285  1  0.862051  0.557296  0.501317  1
  Fe  Fe286  1  0.221412  0.905656  0.471029  1
  Fe  Fe287  1  0.195385  0.223962  0.501317  1
  Fe  Fe288  1  0.528718  0.890629  0.501317  1
  Fe  Fe289  1  0.015670  0.432281  0.517940  1
  Fe  Fe290  1  0.349003  0.098948  0.517940  1
  Fe  Fe291  1  0.400395  0.462167  0.457392  1
  Fe  Fe292  1  0.682336  0.765615  0.517940  1
  Fe  Fe293  1  0.733728  0.128834  0.457392  1
  Fe  Fe294  1  0.707935  0.447324  0.487677  1
  Fe  Fe295  1  0.067061  0.795501  0.457392  1
  Fe  Fe296  1  0.041268  0.113990  0.487677  1
  Fe  Fe297  1  0.374602  0.780657  0.487677  1
  Fe  Fe298  1  0.083136  0.647867  0.531762  1
  Fe  Fe299  1  0.416469  0.314534  0.531762  1
  Fe  Fe300  1  0.467933  0.678011  0.470948  1
  Fe  Fe301  1  0.749802  0.981201  0.531762  1
  Fe  Fe302  1  0.801266  0.344678  0.470948  1
  Fe  Fe303  1  0.775601  0.662966  0.501267  1
  Fe  Fe304  1  0.134600  0.011344  0.470948  1
  Fe  Fe305  1  0.108934  0.329633  0.501267  1
  Fe  Fe306  1  0.442268  0.996299  0.501267  1
  Fe  Fe307  1  0.177067  0.436812  0.513832  1
  Fe  Fe308  1  0.510400  0.103479  0.513832  1
  Fe  Fe309  1  0.485116  0.421926  0.544189  1
  Fe  Fe310  1  0.843733  0.770145  0.513832  1
  Fe  Fe311  1  0.818449  0.088592  0.544189  1
  Fe  Fe312  1  0.869245  0.451933  0.483506  1
  Fe  Fe313  1  0.151782  0.755259  0.544189  1
  Fe  Fe314  1  0.202579  0.118600  0.483506  1
  Fe  Fe315  1  0.535912  0.785266  0.483506  1
  Fe  Fe316  1  0.915499  0.652850  0.531878  1
  Fe  Fe317  1  0.248832  0.319517  0.531878  1
  Fe  Fe318  1  0.300157  0.682702  0.471307  1
  Fe  Fe319  1  0.582165  0.986183  0.531878  1
  Fe  Fe320  1  0.633490  0.349369  0.471307  1
  Fe  Fe321  1  0.607824  0.667789  0.501630  1
  Fe  Fe322  1  0.966824  0.016035  0.471307  1
  Fe  Fe323  1  0.941157  0.334455  0.501630  1
  Fe  Fe324  1  0.274491  0.001122  0.501630  1
  Fe  Fe325  1  0.898173  0.683560  0.583253  1
  Fe  Fe326  1  0.231506  0.350226  0.583253  1
  Fe  Fe327  1  0.207002  0.668487  0.613525  1
  Fe  Fe328  1  0.564840  0.016893  0.583253  1
  Fe  Fe329  1  0.540335  0.335153  0.613525  1
  Fe  Fe330  1  0.590006  0.698499  0.552908  1
  Fe  Fe331  1  0.873668  0.001820  0.613525  1
  Fe  Fe332  1  0.923339  0.365165  0.552908  1
  Fe  Fe333  1  0.256673  0.031832  0.552908  1
  Fe  Fe334  1  0.070411  0.570240  0.575969  1
  Fe  Fe335  1  0.403744  0.236907  0.575969  1
  Fe  Fe336  1  0.377922  0.555109  0.606198  1
  Fe  Fe337  1  0.737077  0.903573  0.575969  1
  Fe  Fe338  1  0.711255  0.221776  0.606198  1
  Fe  Fe339  1  0.762543  0.585229  0.545415  1
  Fe  Fe340  1  0.044589  0.888442  0.606198  1
  Fe  Fe341  1  0.095876  0.251896  0.545415  1
  Fe  Fe342  1  0.429209  0.918563  0.545415  1
  Fe  Fe343  1  0.917045  0.492727  0.625339  1
  Fe  Fe344  1  0.250378  0.159394  0.625339  1
  Fe  Fe345  1  0.301569  0.522929  0.564633  1
  Fe  Fe346  1  0.583712  0.826061  0.625339  1
  Fe  Fe347  1  0.634903  0.189595  0.564633  1
  Fe  Fe348  1  0.609112  0.507950  0.594813  1
  Fe  Fe349  1  0.968236  0.856262  0.564633  1
  Fe  Fe350  1  0.942446  0.174616  0.594813  1
  Fe  Fe351  1  0.275779  0.841283  0.594813  1
  Fe  Fe352  1  0.993640  0.461272  0.572391  1
  Fe  Fe353  1  0.326973  0.127939  0.572391  1
  Fe  Fe354  1  0.301455  0.446171  0.602731  1
  Fe  Fe355  1  0.660306  0.794606  0.572391  1
  Fe  Fe356  1  0.634788  0.112837  0.602731  1
  Fe  Fe357  1  0.609848  0.430869  0.632945  1
  Fe  Fe358  1  0.968121  0.779504  0.602731  1
  Fe  Fe359  1  0.943182  0.097536  0.632945  1
  Fe  Fe360  1  0.276515  0.764202  0.632945  1
  Fe  Fe361  1  0.075038  0.682017  0.580506  1
  Fe  Fe362  1  0.408371  0.348684  0.580506  1
  Fe  Fe363  1  0.382550  0.666590  0.610559  1
  Fe  Fe364  1  0.741705  0.015351  0.580506  1
  Fe  Fe365  1  0.715883  0.333257  0.610559  1
  Fe  Fe366  1  0.767219  0.696959  0.549917  1
  Fe  Fe367  1  0.049217  -0.000076  0.610559  1
  Fe  Fe368  1  0.100553  0.363625  0.549917  1
  Fe  Fe369  1  0.433886  0.030292  0.549917  1
  Fe  Fe370  1  0.908805  0.570791  0.580246  1
  Fe  Fe371  1  0.242138  0.237457  0.580246  1
  Fe  Fe372  1  0.216529  0.555486  0.610722  1
  Fe  Fe373  1  0.575472  0.904124  0.580246  1
  Fe  Fe374  1  0.549862  0.222153  0.610722  1
  Fe  Fe375  1  0.600452  0.585653  0.550040  1
  Fe  Fe376  1  0.883196  0.888819  0.610722  1
  Fe  Fe377  1  0.933785  0.252320  0.550040  1
  Fe  Fe378  1  0.267119  0.918986  0.550040  1
  Fe  Fe379  1  0.160741  0.466043  0.572755  1
  Fe  Fe380  1  0.494074  0.132710  0.572755  1
  Fe  Fe381  1  0.468607  0.450723  0.603167  1
  Fe  Fe382  1  0.827407  0.799377  0.572755  1
  Fe  Fe383  1  0.801941  0.117390  0.603167  1
  Fe  Fe384  1  0.776526  0.436200  0.633402  1
  Fe  Fe385  1  0.135274  0.784057  0.603167  1
  Fe  Fe386  1  0.109860  0.102866  0.633402  1
  Fe  Fe387  1  0.443193  0.769533  0.633402  1
  Fe  Fe388  1  0.093314  0.497603  0.622686  1
  Fe  Fe389  1  0.426647  0.164270  0.622686  1
  Fe  Fe390  1  0.477887  0.527276  0.562082  1
  Fe  Fe391  1  0.759981  0.830937  0.622686  1
  Fe  Fe392  1  0.811220  0.193943  0.562082  1
  Fe  Fe393  1  0.785554  0.512253  0.592151  1
  Fe  Fe394  1  0.144553  0.860609  0.562082  1
  Fe  Fe395  1  0.118887  0.178919  0.592151  1
  Fe  Fe396  1  0.452220  0.845586  0.592151  1
  Fe  Fe397  1  0.938613  0.387349  0.608846  1
  Fe  Fe398  1  0.271946  0.054016  0.608846  1
  Fe  Fe399  1  0.323584  0.417180  0.548429  1
  Fe  Fe400  1  0.605280  0.720682  0.608846  1
  Fe  Fe401  1  0.656917  0.083847  0.548429  1
  Fe  Fe402  1  0.631487  0.402119  0.578751  1
  Fe  Fe403  1  0.990251  0.750513  0.548429  1
  Fe  Fe404  1  0.964820  0.068786  0.578751  1
  Fe  Fe405  1  0.298153  0.735452  0.578751  1
  Fe  Fe406  1  0.005226  0.603027  0.622870  1
  Fe  Fe407  1  0.338559  0.269694  0.622870  1
  Fe  Fe408  1  0.391341  0.632902  0.561944  1
  Fe  Fe409  1  0.671892  0.936361  0.622870  1
  Fe  Fe410  1  0.724674  0.299569  0.561944  1
  Fe  Fe411  1  0.698468  0.618016  0.592194  1
  Fe  Fe412  1  0.058008  0.966236  0.561944  1
  Fe  Fe413  1  0.031801  0.284682  0.592194  1
  Fe  Fe414  1  0.365135  0.951349  0.592194  1
  Fe  Fe415  1  0.100113  0.392248  0.604654  1
  Fe  Fe416  1  0.433446  0.058914  0.604654  1
  Fe  Fe417  1  0.408286  0.377400  0.634989  1
  Fe  Fe418  1  0.766780  0.725581  0.604654  1
  Fe  Fe419  1  0.741619  0.044067  0.634989  1
  Fe  Fe420  1  0.792616  0.407037  0.574454  1
  Fe  Fe421  1  0.074952  0.710733  0.634989  1
  Fe  Fe422  1  0.125949  0.073704  0.574454  1
  Fe  Fe423  1  0.459283  0.740371  0.574454  1
  Fe  Fe424  1  0.838030  0.608233  0.622679  1
  Fe  Fe425  1  0.171363  0.274900  0.622679  1
  Fe  Fe426  1  0.223382  0.637723  0.562193  1
  Fe  Fe427  1  0.504696  0.941566  0.622679  1
  Fe  Fe428  1  0.556715  0.304389  0.562193  1
  Fe  Fe429  1  0.531145  0.622566  0.592827  1
  Fe  Fe430  1  0.890048  0.971056  0.562193  1
  Fe  Fe431  1  0.864478  0.289233  0.592827  1
  Fe  Fe432  1  0.197811  0.955899  0.592827  1
  Fe  Fe433  1  0.822911  0.638805  0.673920  1
  Fe  Fe434  1  0.156245  0.305471  0.673920  1
  Fe  Fe435  1  0.136995  0.624052  0.703817  1
  Fe  Fe436  1  0.489578  0.972138  0.673920  1
  Fe  Fe437  1  0.470329  0.290718  0.703817  1
  Fe  Fe438  1  0.511706  0.653438  0.643933  1
  Fe  Fe439  1  0.803662  0.957385  0.703817  1
  Fe  Fe440  1  0.845039  0.320105  0.643933  1
  Fe  Fe441  1  0.178373  0.986772  0.643933  1
  Fe  Fe442  1  0.992568  0.525010  0.667299  1
  Fe  Fe443  1  0.325901  0.191677  0.667299  1
  Fe  Fe444  1  0.299488  0.509922  0.697070  1
  Fe  Fe445  1  0.659234  0.858344  0.667299  1
  Fe  Fe446  1  0.632821  0.176589  0.697070  1
  Fe  Fe447  1  0.685892  0.540305  0.636440  1
  Fe  Fe448  1  0.966155  0.843255  0.697070  1
  Fe  Fe449  1  0.019225  0.206972  0.636440  1
  Fe  Fe450  1  0.352558  0.873639  0.636440  1
  Fe  Fe451  1  0.836550  0.448954  0.716058  1
  Fe  Fe452  1  0.169883  0.115621  0.716058  1
  Fe  Fe453  1  0.223815  0.478554  0.655534  1
  Fe  Fe454  1  0.503217  0.782287  0.716058  1
  Fe  Fe455  1  0.557148  0.145221  0.655534  1
  Fe  Fe456  1  0.530605  0.464191  0.685438  1
  Fe  Fe457  1  0.890481  0.811887  0.655534  1
  Fe  Fe458  1  0.863939  0.130858  0.685438  1
  Fe  Fe459  1  0.197272  0.797525  0.685438  1
  Fe  Fe460  1  0.916332  0.416167  0.663132  1
  Fe  Fe461  1  0.249666  0.082833  0.663132  1
  Fe  Fe462  1  0.225952  0.401710  0.692718  1
  Fe  Fe463  1  0.582999  0.749500  0.663132  1
  Fe  Fe464  1  0.559286  0.068377  0.692718  1
  Fe  Fe465  1  0.535442  0.387183  0.722523  1
  Fe  Fe466  1  0.892619  0.735043  0.692718  1
  Fe  Fe467  1  0.868776  0.053850  0.722523  1
  Fe  Fe468  1  0.202109  0.720517  0.722523  1
  Fe  Fe469  1  0.998418  0.637404  0.671637  1
  Fe  Fe470  1  0.331751  0.304070  0.671637  1
  Fe  Fe471  1  0.303753  0.623695  0.702408  1
  Fe  Fe472  1  0.665085  0.970737  0.671637  1
  Fe  Fe473  1  0.637086  0.290362  0.702408  1
  Fe  Fe474  1  0.689932  0.651722  0.640838  1
  Fe  Fe475  1  0.970420  0.957028  0.702408  1
  Fe  Fe476  1  0.023266  0.318389  0.640838  1
  Fe  Fe477  1  0.356599  0.985056  0.640838  1
  Fe  Fe478  1  0.831693  0.526494  0.671100  1
  Fe  Fe479  1  0.165026  0.193161  0.671100  1
  Fe  Fe480  1  0.140940  0.507813  0.701532  1
  Fe  Fe481  1  0.498359  0.859828  0.671100  1
  Fe  Fe482  1  0.474273  0.174480  0.701532  1
  Fe  Fe483  1  0.522978  0.540180  0.641155  1
  Fe  Fe484  1  0.807607  0.841147  0.701532  1
  Fe  Fe485  1  0.856312  0.206847  0.641155  1
  Fe  Fe486  1  0.189645  0.873513  0.641155  1
  Fe  Fe487  1  0.082467  0.421277  0.663503  1
  Fe  Fe488  1  0.415800  0.087944  0.663503  1
  Fe  Fe489  1  0.392662  0.406439  0.693609  1
  Fe  Fe490  1  0.749134  0.754611  0.663503  1
  Fe  Fe491  1  0.725996  0.073106  0.693609  1
  Fe  Fe492  1  0.695631  0.394405  0.721909  1
  Fe  Fe493  1  0.059329  0.739772  0.693609  1
  Fe  Fe494  1  0.028965  0.061071  0.721909  1
  Fe  Fe495  1  0.362298  0.727738  0.721909  1
  Fe  Fe496  1  0.015287  0.453678  0.713810  1
  Fe  Fe497  1  0.348620  0.120344  0.713810  1
  Fe  Fe498  1  0.400500  0.483141  0.653624  1
  Fe  Fe499  1  0.681953  0.787011  0.713810  1
  Fe  Fe500  1  0.733833  0.149807  0.653624  1
  Fe  Fe501  1  0.709284  0.468171  0.683060  1
  Fe  Fe502  1  0.067167  0.816474  0.653624  1
  Fe  Fe503  1  0.042618  0.134837  0.683060  1
  Fe  Fe504  1  0.375951  0.801504  0.683060  1
  Fe  Fe505  1  0.861301  0.341609  0.699780  1
  Fe  Fe506  1  0.194634  0.008276  0.699780  1
  Fe  Fe507  1  0.246027  0.372318  0.639323  1
  Fe  Fe508  1  0.527968  0.674943  0.699780  1
  Fe  Fe509  1  0.579361  0.038985  0.639323  1
  Fe  Fe510  1  0.554860  0.357651  0.669745  1
  Fe  Fe511  1  0.912694  0.705651  0.639323  1
  Fe  Fe512  1  0.888193  0.024318  0.669745  1
  Fe  Fe513  1  0.221526  0.690985  0.669745  1
  Fe  Fe514  1  0.922179  0.558309  0.713517  1
  Fe  Fe515  1  0.255512  0.224975  0.713517  1
  Fe  Fe516  1  0.312777  0.587782  0.653311  1
  Fe  Fe517  1  0.588846  0.891642  0.713517  1
  Fe  Fe518  1  0.646110  0.254449  0.653311  1
  Fe  Fe519  1  0.615051  0.573108  0.683495  1
  Fe  Fe520  1  0.979444  0.921115  0.653311  1
  Fe  Fe521  1  0.948384  0.239775  0.683495  1
  Fe  Fe522  1  0.281718  0.906441  0.683495  1
  Fe  Fe523  1  0.022396  0.345919  0.695667  1
  Fe  Fe524  1  0.355729  0.012585  0.695667  1
  Fe  Fe525  1  0.333719  0.331280  0.725739  1
  Fe  Fe526  1  0.689062  0.679252  0.695667  1
  Fe  Fe527  1  0.667053  -0.002053  0.725739  1
  Fe  Fe528  1  0.716154  0.362381  0.665604  1
  Fe  Fe529  1  1.000386  0.664614  0.725739  1
  Fe  Fe530  1  0.049487  0.029048  0.665604  1
  Fe  Fe531  1  0.382820  0.695714  0.665604  1
  Fe  Fe532  1  0.759829  0.565009  0.712266  1
  Fe  Fe533  1  0.093163  0.231675  0.712266  1
  Fe  Fe534  1  0.146282  0.592540  0.652967  1
  Fe  Fe535  1  0.426496  0.898342  0.712266  1
  Fe  Fe536  1  0.479615  0.259207  0.652967  1
  Fe  Fe537  1  0.451833  0.578344  0.682914  1
  Fe  Fe538  1  0.812949  0.925874  0.652967  1
  Fe  Fe539  1  0.785166  0.245011  0.682914  1
  Fe  Fe540  1  0.118500  0.911677  0.682914  1
  C  C541  1  0.054254  0.502616  0.337019  1
  C  C542  1  0.387587  0.169282  0.337019  1
  C  C543  1  0.441635  0.535208  0.276364  1
  C  C544  1  0.720921  0.835949  0.337019  1
  C  C545  1  0.774969  0.201875  0.276364  1
  C  C546  1  0.746614  0.519672  0.306743  1
  C  C547  1  0.108302  0.868542  0.276364  1
  C  C548  1  0.079947  0.186339  0.306743  1
  C  C549  1  0.413280  0.853006  0.306743  1
  C  C550  1  0.220175  0.823593  0.335656  1
  C  C551  1  0.553509  0.490259  0.335656  1
  C  C552  1  0.604148  0.852690  0.274741  1
  C  C553  1  0.886842  0.156926  0.335656  1
  C  C554  1  0.937481  0.519356  0.274741  1
  C  C555  1  0.914583  0.838140  0.305400  1
  C  C556  1  0.270815  0.186023  0.274741  1
  C  C557  1  0.247916  0.504807  0.305400  1
  C  C558  1  0.581250  0.171474  0.305400  1
  C  C559  1  0.229128  0.660862  0.327879  1
  C  C560  1  0.562462  0.327528  0.327879  1
  C  C561  1  0.536023  0.646510  0.357923  1
  C  C562  1  0.895795  0.994195  0.327879  1
  C  C563  1  0.869356  0.313177  0.357923  1
  C  C564  1  0.922529  0.675862  0.296932  1
  C  C565  1  0.202690  0.979843  0.357923  1
  C  C566  1  0.255862  0.342529  0.296932  1
  C  C567  1  0.589195  0.009196  0.296932  1
  C  C568  1  0.419226  0.688204  0.298373  1
  C  C569  1  0.752559  0.354870  0.298373  1
  C  C570  1  0.726799  0.673635  0.328612  1
  C  C571  1  0.085893  0.021537  0.298373  1
  C  C572  1  0.060132  0.340301  0.328612  1
  C  C573  1  0.034707  0.658798  0.359300  1
  C  C574  1  0.393466  0.006968  0.328612  1
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