# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.32676042
_cell_length_b   25.95936602
_cell_length_c   46.13850924
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.75879758
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe468
_cell_volume   13390.2832371
_cell_formula_units_Z   468
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  0.058924  0.807084  0.316166  1
  Fe  Fe2  1  0.725590  0.640417  0.316166  1
  Fe  Fe3  1  0.849690  0.811416  0.294944  1
  Fe  Fe4  1  0.058924  0.307084  0.316166  1
  Fe  Fe5  1  0.183023  0.478083  0.294944  1
  Fe  Fe6  1  0.120025  0.643042  0.305429  1
  Fe  Fe7  1  0.392257  0.473751  0.316166  1
  Fe  Fe8  1  0.516357  0.644750  0.294944  1
  Fe  Fe9  1  0.453359  0.809709  0.305429  1
  Fe  Fe10  1  0.725590  0.140417  0.316166  1
  Fe  Fe11  1  0.849690  0.311416  0.294944  1
  Fe  Fe12  1  0.786692  0.476376  0.305429  1
  Fe  Fe13  1  0.183023  0.978083  0.294944  1
  Fe  Fe14  1  0.120025  0.143042  0.305429  1
  Fe  Fe15  1  0.392257  0.973751  0.316166  1
  Fe  Fe16  1  0.516357  0.144750  0.294944  1
  Fe  Fe17  1  0.453359  0.309709  0.305429  1
  Fe  Fe18  1  0.786692  0.976376  0.305429  1
  Fe  Fe19  1  0.340266  0.897067  0.286683  1
  Fe  Fe20  1  0.006932  0.730401  0.286683  1
  Fe  Fe21  1  0.945166  0.894470  0.296971  1
  Fe  Fe22  1  0.340266  0.397067  0.286683  1
  Fe  Fe23  1  0.278500  0.561136  0.296971  1
  Fe  Fe24  1  0.217492  0.725535  0.307551  1
  Fe  Fe25  1  0.673599  0.563734  0.286683  1
  Fe  Fe26  1  0.611833  0.727803  0.296971  1
  Fe  Fe27  1  0.550826  0.892201  0.307551  1
  Fe  Fe28  1  0.006932  0.230401  0.286683  1
  Fe  Fe29  1  0.945166  0.394470  0.296971  1
  Fe  Fe30  1  0.884159  0.558868  0.307551  1
  Fe  Fe31  1  0.278500  0.061136  0.296971  1
  Fe  Fe32  1  0.217492  0.225535  0.307551  1
  Fe  Fe33  1  0.673599  0.063734  0.286683  1
  Fe  Fe34  1  0.611833  0.227803  0.296971  1
  Fe  Fe35  1  0.550826  0.392201  0.307551  1
  Fe  Fe36  1  0.884159  0.058868  0.307551  1
  Fe  Fe37  1  0.876853  0.799766  0.349297  1
  Fe  Fe38  1  0.543519  0.633099  0.349297  1
  Fe  Fe39  1  0.664777  0.804658  0.326834  1
  Fe  Fe40  1  0.876853  0.299766  0.349297  1
  Fe  Fe41  1  0.998110  0.471324  0.326834  1
  Fe  Fe42  1  0.937377  0.635676  0.337870  1
  Fe  Fe43  1  0.210186  0.466432  0.349297  1
  Fe  Fe44  1  0.331443  0.637991  0.326834  1
  Fe  Fe45  1  0.270711  0.802342  0.337870  1
  Fe  Fe46  1  0.543519  0.133099  0.349297  1
  Fe  Fe47  1  0.664777  0.304658  0.326834  1
  Fe  Fe48  1  0.604044  0.469009  0.337870  1
  Fe  Fe49  1  0.998110  0.971324  0.326834  1
  Fe  Fe50  1  0.937377  0.135676  0.337870  1
  Fe  Fe51  1  0.210186  0.966432  0.349297  1
  Fe  Fe52  1  0.331443  0.137991  0.326834  1
  Fe  Fe53  1  0.270711  0.302342  0.337870  1
  Fe  Fe54  1  0.604044  0.969009  0.337870  1
  Fe  Fe55  1  0.158035  0.890132  0.317953  1
  Fe  Fe56  1  0.824702  0.723465  0.317953  1
  Fe  Fe57  1  0.764378  0.887600  0.328764  1
  Fe  Fe58  1  0.158035  0.390132  0.317953  1
  Fe  Fe59  1  0.097712  0.554266  0.328764  1
  Fe  Fe60  1  0.037682  0.718415  0.340413  1
  Fe  Fe61  1  0.491368  0.556799  0.317953  1
  Fe  Fe62  1  0.431045  0.720933  0.328764  1
  Fe  Fe63  1  0.371016  0.885082  0.340413  1
  Fe  Fe64  1  0.824702  0.223465  0.317953  1
  Fe  Fe65  1  0.764378  0.387600  0.328764  1
  Fe  Fe66  1  0.704349  0.551749  0.340413  1
  Fe  Fe67  1  0.097712  0.054266  0.328764  1
  Fe  Fe68  1  0.037682  0.218415  0.340413  1
  Fe  Fe69  1  0.491368  0.056799  0.317953  1
  Fe  Fe70  1  0.431045  0.220933  0.328764  1
  Fe  Fe71  1  0.371016  0.385082  0.340413  1
  Fe  Fe72  1  0.704349  0.051749  0.340413  1
  Fe  Fe73  1  0.695214  0.792458  0.382603  1
  Fe  Fe74  1  0.361881  0.625791  0.382603  1
  Fe  Fe75  1  0.483087  0.797224  0.360282  1
  Fe  Fe76  1  0.695214  0.292458  0.382603  1
  Fe  Fe77  1  0.816420  0.463891  0.360282  1
  Fe  Fe78  1  0.756148  0.628209  0.371525  1
  Fe  Fe79  1  0.028548  0.459125  0.382603  1
  Fe  Fe80  1  0.149753  0.630557  0.360282  1
  Fe  Fe81  1  0.089481  0.794876  0.371525  1
  Fe  Fe82  1  0.361881  0.125791  0.382603  1
  Fe  Fe83  1  0.483087  0.297224  0.360282  1
  Fe  Fe84  1  0.422814  0.461542  0.371525  1
  Fe  Fe85  1  0.816420  0.963891  0.360282  1
  Fe  Fe86  1  0.756148  0.128209  0.371525  1
  Fe  Fe87  1  0.028548  0.959125  0.382603  1
  Fe  Fe88  1  0.149753  0.130557  0.360282  1
  Fe  Fe89  1  0.089481  0.294876  0.371525  1
  Fe  Fe90  1  0.422814  0.961542  0.371525  1
  Fe  Fe91  1  0.977485  0.882632  0.351229  1
  Fe  Fe92  1  0.644151  0.715966  0.351229  1
  Fe  Fe93  1  0.584156  0.880231  0.362268  1
  Fe  Fe94  1  0.977485  0.382632  0.351229  1
  Fe  Fe95  1  0.917490  0.546898  0.362268  1
  Fe  Fe96  1  0.856654  0.711080  0.373405  1
  Fe  Fe97  1  0.310818  0.549299  0.351229  1
  Fe  Fe98  1  0.250823  0.713565  0.362268  1
  Fe  Fe99  1  0.189988  0.877747  0.373405  1
  Fe  Fe100  1  0.644151  0.215966  0.351229  1
  Fe  Fe101  1  0.584156  0.380231  0.362268  1
  Fe  Fe102  1  0.523321  0.544413  0.373405  1
  Fe  Fe103  1  0.917490  0.046898  0.362268  1
  Fe  Fe104  1  0.856654  0.211080  0.373405  1
  Fe  Fe105  1  0.310818  0.049299  0.351229  1
  Fe  Fe106  1  0.250823  0.213565  0.362268  1
  Fe  Fe107  1  0.189988  0.377747  0.373405  1
  Fe  Fe108  1  0.523321  0.044413  0.373405  1
  Fe  Fe109  1  0.513808  0.785161  0.416052  1
  Fe  Fe110  1  0.180475  0.618494  0.416052  1
  Fe  Fe111  1  0.301543  0.790072  0.393695  1
  Fe  Fe112  1  0.513808  0.285161  0.416052  1
  Fe  Fe113  1  0.634876  0.456739  0.393695  1
  Fe  Fe114  1  0.574328  0.620910  0.404925  1
  Fe  Fe115  1  0.847142  0.451828  0.416052  1
  Fe  Fe116  1  0.968210  0.623406  0.393695  1
  Fe  Fe117  1  0.907661  0.787577  0.404925  1
  Fe  Fe118  1  0.180475  0.118494  0.416052  1
  Fe  Fe119  1  0.301543  0.290072  0.393695  1
  Fe  Fe120  1  0.240994  0.454243  0.404925  1
  Fe  Fe121  1  0.634876  0.956739  0.393695  1
  Fe  Fe122  1  0.574328  0.120910  0.404925  1
  Fe  Fe123  1  0.847142  0.951828  0.416052  1
  Fe  Fe124  1  0.968210  0.123406  0.393695  1
  Fe  Fe125  1  0.907661  0.287577  0.404925  1
  Fe  Fe126  1  0.240994  0.954243  0.404925  1
  Fe  Fe127  1  0.796357  0.875389  0.384499  1
  Fe  Fe128  1  0.463024  0.708723  0.384499  1
  Fe  Fe129  1  0.402777  0.872914  0.395760  1
  Fe  Fe130  1  0.796357  0.375389  0.384499  1
  Fe  Fe131  1  0.736110  0.539581  0.395760  1
  Fe  Fe132  1  0.675473  0.703847  0.406830  1
  Fe  Fe133  1  0.129691  0.542056  0.384499  1
  Fe  Fe134  1  0.069443  0.706248  0.395760  1
  Fe  Fe135  1  0.008806  0.870514  0.406830  1
  Fe  Fe136  1  0.463024  0.208723  0.384499  1
  Fe  Fe137  1  0.402777  0.372914  0.395760  1
  Fe  Fe138  1  0.342140  0.537180  0.406830  1
  Fe  Fe139  1  0.736110  0.039581  0.395760  1
  Fe  Fe140  1  0.675473  0.203847  0.406830  1
  Fe  Fe141  1  0.129691  0.042056  0.384499  1
  Fe  Fe142  1  0.069443  0.206248  0.395760  1
  Fe  Fe143  1  0.008806  0.370514  0.406830  1
  Fe  Fe144  1  0.342140  0.037180  0.406830  1
  Fe  Fe145  1  0.332338  0.777918  0.449471  1
  Fe  Fe146  1  0.999005  0.611251  0.449471  1
  Fe  Fe147  1  0.120051  0.782761  0.427219  1
  Fe  Fe148  1  0.332338  0.277918  0.449471  1
  Fe  Fe149  1  0.453384  0.449428  0.427219  1
  Fe  Fe150  1  0.392794  0.613665  0.438340  1
  Fe  Fe151  1  0.665671  0.444585  0.449471  1
  Fe  Fe152  1  0.786717  0.616095  0.427219  1
  Fe  Fe153  1  0.726128  0.780332  0.438340  1
  Fe  Fe154  1  0.999005  0.111251  0.449471  1
  Fe  Fe155  1  0.120051  0.282761  0.427219  1
  Fe  Fe156  1  0.059461  0.446999  0.438340  1
  Fe  Fe157  1  0.453384  0.949428  0.427219  1
  Fe  Fe158  1  0.392794  0.113665  0.438340  1
  Fe  Fe159  1  0.665671  0.944585  0.449471  1
  Fe  Fe160  1  0.786717  0.116095  0.427219  1
  Fe  Fe161  1  0.726128  0.280332  0.438340  1
  Fe  Fe162  1  0.059461  0.946999  0.438340  1
  Fe  Fe163  1  0.615132  0.868122  0.417935  1
  Fe  Fe164  1  0.281798  0.701456  0.417935  1
  Fe  Fe165  1  0.221246  0.865668  0.429078  1
  Fe  Fe166  1  0.615132  0.368122  0.417935  1
  Fe  Fe167  1  0.554579  0.532335  0.429078  1
  Fe  Fe168  1  0.494102  0.696584  0.440209  1
  Fe  Fe169  1  0.948465  0.534789  0.417935  1
  Fe  Fe170  1  0.887912  0.699001  0.429078  1
  Fe  Fe171  1  0.827436  0.863250  0.440209  1
  Fe  Fe172  1  0.281798  0.201456  0.417935  1
  Fe  Fe173  1  0.221246  0.365668  0.429078  1
  Fe  Fe174  1  0.160769  0.529917  0.440209  1
  Fe  Fe175  1  0.554579  0.032335  0.429078  1
  Fe  Fe176  1  0.494102  0.196584  0.440209  1
  Fe  Fe177  1  0.948465  0.034789  0.417935  1
  Fe  Fe178  1  0.887912  0.199001  0.429078  1
  Fe  Fe179  1  0.827436  0.363250  0.440209  1
  Fe  Fe180  1  0.160769  0.029917  0.440209  1
  Fe  Fe181  1  0.150844  0.770640  0.482917  1
  Fe  Fe182  1  0.817511  0.603974  0.482917  1
  Fe  Fe183  1  0.938493  0.775480  0.460631  1
  Fe  Fe184  1  0.150844  0.270640  0.482917  1
  Fe  Fe185  1  0.271826  0.442146  0.460631  1
  Fe  Fe186  1  0.211321  0.606388  0.471772  1
  Fe  Fe187  1  0.484178  0.437307  0.482917  1
  Fe  Fe188  1  0.605159  0.608813  0.460631  1
  Fe  Fe189  1  0.544655  0.773055  0.471772  1
  Fe  Fe190  1  0.817511  0.103974  0.482917  1
  Fe  Fe191  1  0.938493  0.275480  0.460631  1
  Fe  Fe192  1  0.877988  0.439721  0.471772  1
  Fe  Fe193  1  0.271826  0.942146  0.460631  1
  Fe  Fe194  1  0.211321  0.106388  0.471772  1
  Fe  Fe195  1  0.484178  0.937307  0.482917  1
  Fe  Fe196  1  0.605159  0.108813  0.460631  1
  Fe  Fe197  1  0.544655  0.273055  0.471772  1
  Fe  Fe198  1  0.877988  0.939721  0.471772  1
  Fe  Fe199  1  0.433664  0.860829  0.451374  1
  Fe  Fe200  1  0.100331  0.694163  0.451374  1
  Fe  Fe201  1  0.039790  0.858413  0.462497  1
  Fe  Fe202  1  0.433664  0.360829  0.451374  1
  Fe  Fe203  1  0.373123  0.525079  0.462497  1
  Fe  Fe204  1  0.312655  0.689330  0.473628  1
  Fe  Fe205  1  0.766998  0.527496  0.451374  1
  Fe  Fe206  1  0.706456  0.691746  0.462497  1
  Fe  Fe207  1  0.645989  0.855997  0.473628  1
  Fe  Fe208  1  0.100331  0.194163  0.451374  1
  Fe  Fe209  1  0.039790  0.358413  0.462497  1
  Fe  Fe210  1  0.979322  0.522663  0.473628  1
  Fe  Fe211  1  0.373123  0.025079  0.462497  1
  Fe  Fe212  1  0.312655  0.189330  0.473628  1
  Fe  Fe213  1  0.766998  0.027496  0.451374  1
  Fe  Fe214  1  0.706456  0.191746  0.462497  1
  Fe  Fe215  1  0.645989  0.355997  0.473628  1
  Fe  Fe216  1  0.979322  0.022663  0.473628  1
  Fe  Fe217  1  0.969334  0.763372  0.516335  1
  Fe  Fe218  1  0.636001  0.596706  0.516335  1
  Fe  Fe219  1  0.756982  0.768219  0.494049  1
  Fe  Fe220  1  0.969334  0.263372  0.516335  1
  Fe  Fe221  1  0.090315  0.434886  0.494049  1
  Fe  Fe222  1  0.029836  0.599131  0.505192  1
  Fe  Fe223  1  0.302668  0.430039  0.516335  1
  Fe  Fe224  1  0.423648  0.601553  0.494049  1
  Fe  Fe225  1  0.363169  0.765798  0.505192  1
  Fe  Fe226  1  0.636001  0.096706  0.516335  1
  Fe  Fe227  1  0.756982  0.268219  0.494049  1
  Fe  Fe228  1  0.696503  0.432464  0.505192  1
  Fe  Fe229  1  0.090315  0.934886  0.494049  1
  Fe  Fe230  1  0.029836  0.099131  0.505192  1
  Fe  Fe231  1  0.302668  0.930039  0.516335  1
  Fe  Fe232  1  0.423648  0.101553  0.494049  1
  Fe  Fe233  1  0.363169  0.265798  0.505192  1
  Fe  Fe234  1  0.696503  0.932464  0.505192  1
  Fe  Fe235  1  0.252145  0.853567  0.484771  1
  Fe  Fe236  1  0.918812  0.686901  0.484771  1
  Fe  Fe237  1  0.858310  0.851142  0.495914  1
  Fe  Fe238  1  0.252145  0.353567  0.484771  1
  Fe  Fe239  1  0.191644  0.517808  0.495914  1
  Fe  Fe240  1  0.131165  0.682054  0.507057  1
  Fe  Fe241  1  0.585478  0.520234  0.484771  1
  Fe  Fe242  1  0.524977  0.684475  0.495914  1
  Fe  Fe243  1  0.464498  0.848720  0.507057  1
  Fe  Fe244  1  0.918812  0.186901  0.484771  1
  Fe  Fe245  1  0.858310  0.351142  0.495914  1
  Fe  Fe246  1  0.797831  0.515387  0.507057  1
  Fe  Fe247  1  0.191644  0.017808  0.495914  1
  Fe  Fe248  1  0.131165  0.182054  0.507057  1
  Fe  Fe249  1  0.585478  0.020234  0.484771  1
  Fe  Fe250  1  0.524977  0.184475  0.495914  1
  Fe  Fe251  1  0.464498  0.348720  0.507057  1
  Fe  Fe252  1  0.797831  0.015387  0.507057  1
  Fe  Fe253  1  0.787815  0.756110  0.549732  1
  Fe  Fe254  1  0.454482  0.589444  0.549732  1
  Fe  Fe255  1  0.575491  0.760943  0.527478  1
  Fe  Fe256  1  0.787815  0.256110  0.549732  1
  Fe  Fe257  1  0.908824  0.427609  0.527478  1
  Fe  Fe258  1  0.848356  0.591860  0.538609  1
  Fe  Fe259  1  0.121148  0.422777  0.549732  1
  Fe  Fe260  1  0.242158  0.594276  0.527478  1
  Fe  Fe261  1  0.181690  0.758527  0.538609  1
  Fe  Fe262  1  0.454482  0.089444  0.549732  1
  Fe  Fe263  1  0.575491  0.260943  0.527478  1
  Fe  Fe264  1  0.515023  0.425193  0.538609  1
  Fe  Fe265  1  0.908824  0.927609  0.527478  1
  Fe  Fe266  1  0.848356  0.091860  0.538609  1
  Fe  Fe267  1  0.121148  0.922777  0.549732  1
  Fe  Fe268  1  0.242158  0.094276  0.527478  1
  Fe  Fe269  1  0.181690  0.258527  0.538609  1
  Fe  Fe270  1  0.515023  0.925193  0.538609  1
  Fe  Fe271  1  0.070635  0.846299  0.518189  1
  Fe  Fe272  1  0.737302  0.679632  0.518189  1
  Fe  Fe273  1  0.676825  0.843885  0.529334  1
  Fe  Fe274  1  0.070635  0.346299  0.518189  1
  Fe  Fe275  1  0.010158  0.510551  0.529334  1
  Fe  Fe276  1  0.949653  0.674793  0.540476  1
  Fe  Fe277  1  0.403969  0.512966  0.518189  1
  Fe  Fe278  1  0.343491  0.677218  0.529334  1
  Fe  Fe279  1  0.282987  0.841460  0.540476  1
  Fe  Fe280  1  0.737302  0.179632  0.518189  1
  Fe  Fe281  1  0.676825  0.343885  0.529334  1
  Fe  Fe282  1  0.616320  0.508127  0.540476  1
  Fe  Fe283  1  0.010158  0.010551  0.529334  1
  Fe  Fe284  1  0.949653  0.174793  0.540476  1
  Fe  Fe285  1  0.403969  0.012966  0.518189  1
  Fe  Fe286  1  0.343491  0.177218  0.529334  1
  Fe  Fe287  1  0.282987  0.341460  0.540476  1
  Fe  Fe288  1  0.616320  0.008127  0.540476  1
  Fe  Fe289  1  0.606348  0.748817  0.583171  1
  Fe  Fe290  1  0.273014  0.582150  0.583171  1
  Fe  Fe291  1  0.394044  0.753689  0.560897  1
  Fe  Fe292  1  0.606348  0.248817  0.583171  1
  Fe  Fe293  1  0.727377  0.420356  0.560897  1
  Fe  Fe294  1  0.666900  0.584605  0.572029  1
  Fe  Fe295  1  0.939681  0.415484  0.583171  1
  Fe  Fe296  1  0.060711  0.587023  0.560897  1
  Fe  Fe297  1  1.000234  0.751271  0.572029  1
  Fe  Fe298  1  0.273014  0.082150  0.583171  1
  Fe  Fe299  1  0.394044  0.253689  0.560897  1
  Fe  Fe300  1  0.333567  0.417938  0.572029  1
  Fe  Fe301  1  0.727377  0.920356  0.560897  1
  Fe  Fe302  1  0.666900  0.084605  0.572029  1
  Fe  Fe303  1  0.939681  0.915484  0.583171  1
  Fe  Fe304  1  0.060711  0.087023  0.560897  1
  Fe  Fe305  1  1.000234  0.251271  0.572029  1
  Fe  Fe306  1  0.333567  0.917938  0.572029  1
  Fe  Fe307  1  0.889141  0.839022  0.551635  1
  Fe  Fe308  1  0.555808  0.672355  0.551635  1
  Fe  Fe309  1  0.495352  0.836608  0.562766  1
  Fe  Fe310  1  0.889141  0.339022  0.551635  1
  Fe  Fe311  1  0.828685  0.503274  0.562766  1
  Fe  Fe312  1  0.768096  0.667511  0.573887  1
  Fe  Fe313  1  0.222475  0.505688  0.551635  1
  Fe  Fe314  1  0.162018  0.669941  0.562766  1
  Fe  Fe315  1  0.101429  0.834178  0.573887  1
  Fe  Fe316  1  0.555808  0.172355  0.551635  1
  Fe  Fe317  1  0.495352  0.336608  0.562766  1
  Fe  Fe318  1  0.434762  0.500845  0.573887  1
  Fe  Fe319  1  0.828685  0.003274  0.562766  1
  Fe  Fe320  1  0.768096  0.167511  0.573887  1
  Fe  Fe321  1  0.222475  0.005688  0.551635  1
  Fe  Fe322  1  0.162018  0.169941  0.562766  1
  Fe  Fe323  1  0.101429  0.334178  0.573887  1
  Fe  Fe324  1  0.434762  1.000845  0.573887  1
  Fe  Fe325  1  0.425122  0.741550  0.616607  1
  Fe  Fe326  1  0.091789  0.574884  0.616607  1
  Fe  Fe327  1  0.212673  0.746426  0.594277  1
  Fe  Fe328  1  0.425122  0.241550  0.616607  1
  Fe  Fe329  1  0.546007  0.413092  0.594277  1
  Fe  Fe330  1  0.485369  0.577358  0.605346  1
  Fe  Fe331  1  0.758455  0.408217  0.616607  1
  Fe  Fe332  1  0.879340  0.579759  0.594277  1
  Fe  Fe333  1  0.818703  0.744025  0.605346  1
  Fe  Fe334  1  0.091789  0.074884  0.616607  1
  Fe  Fe335  1  0.212673  0.246426  0.594277  1
  Fe  Fe336  1  0.152036  0.410692  0.605346  1
  Fe  Fe337  1  0.546007  0.913092  0.594277  1
  Fe  Fe338  1  0.485369  0.077358  0.605346  1
  Fe  Fe339  1  0.758455  0.908217  0.616607  1
  Fe  Fe340  1  0.879340  0.079759  0.594277  1
  Fe  Fe341  1  0.818703  0.244025  0.605346  1
  Fe  Fe342  1  0.152036  0.910692  0.605346  1
  Fe  Fe343  1  0.707671  0.831779  0.585054  1
  Fe  Fe344  1  0.374338  0.665112  0.585054  1
  Fe  Fe345  1  0.313818  0.829363  0.596181  1
  Fe  Fe346  1  0.707671  0.331779  0.585054  1
  Fe  Fe347  1  0.647152  0.496029  0.596181  1
  Fe  Fe348  1  0.586603  0.660200  0.607411  1
  Fe  Fe349  1  0.041004  0.498445  0.585054  1
  Fe  Fe350  1  0.980485  0.662696  0.596181  1
  Fe  Fe351  1  0.919936  0.826867  0.607411  1
  Fe  Fe352  1  0.374338  0.165112  0.585054  1
  Fe  Fe353  1  0.313818  0.329363  0.596181  1
  Fe  Fe354  1  0.253270  0.493534  0.607411  1
  Fe  Fe355  1  0.647152  0.996029  0.596181  1
  Fe  Fe356  1  0.586603  0.160200  0.607411  1
  Fe  Fe357  1  0.041004  0.998445  0.585054  1
  Fe  Fe358  1  0.980485  0.162696  0.596181  1
  Fe  Fe359  1  0.919936  0.326867  0.607411  1
  Fe  Fe360  1  0.253270  0.993534  0.607411  1
  Fe  Fe361  1  0.243995  0.734307  0.649877  1
  Fe  Fe362  1  0.910662  0.567640  0.649877  1
  Fe  Fe363  1  0.031492  0.739193  0.627701  1
  Fe  Fe364  1  0.243995  0.234307  0.649877  1
  Fe  Fe365  1  0.364825  0.405860  0.627701  1
  Fe  Fe366  1  0.303990  0.570042  0.638838  1
  Fe  Fe367  1  0.577328  0.400974  0.649877  1
  Fe  Fe368  1  0.698158  0.572526  0.627701  1
  Fe  Fe369  1  0.637323  0.736708  0.638838  1
  Fe  Fe370  1  0.910662  0.067640  0.649877  1
  Fe  Fe371  1  0.031492  0.239193  0.627701  1
  Fe  Fe372  1  0.970657  0.403375  0.638838  1
  Fe  Fe373  1  0.364825  0.905860  0.627701  1
  Fe  Fe374  1  0.303990  0.070042  0.638838  1
  Fe  Fe375  1  0.577328  0.900974  0.649877  1
  Fe  Fe376  1  0.698158  0.072526  0.627701  1
  Fe  Fe377  1  0.637323  0.236708  0.638838  1
  Fe  Fe378  1  0.970657  0.903375  0.638838  1
  Fe  Fe379  1  0.526265  0.824481  0.618503  1
  Fe  Fe380  1  0.192932  0.657815  0.618503  1
  Fe  Fe381  1  0.131999  0.822064  0.629581  1
  Fe  Fe382  1  0.526265  0.324481  0.618503  1
  Fe  Fe383  1  0.465332  0.488731  0.629581  1
  Fe  Fe384  1  0.405060  0.653049  0.640824  1
  Fe  Fe385  1  0.859599  0.491148  0.618503  1
  Fe  Fe386  1  0.798665  0.655397  0.629581  1
  Fe  Fe387  1  0.738393  0.819715  0.640824  1
  Fe  Fe388  1  0.192932  0.157815  0.618503  1
  Fe  Fe389  1  0.131999  0.322064  0.629581  1
  Fe  Fe390  1  0.071726  0.486382  0.640824  1
  Fe  Fe391  1  0.465332  0.988731  0.629581  1
  Fe  Fe392  1  0.405060  0.153049  0.640824  1
  Fe  Fe393  1  0.859599  0.991148  0.618503  1
  Fe  Fe394  1  0.798665  0.155397  0.629581  1
  Fe  Fe395  1  0.738393  0.319715  0.640824  1
  Fe  Fe396  1  0.071726  0.986382  0.640824  1
  Fe  Fe397  1  0.063444  0.726807  0.683153  1
  Fe  Fe398  1  0.730111  0.560141  0.683153  1
  Fe  Fe399  1  0.850464  0.731857  0.660694  1
  Fe  Fe400  1  0.063444  0.226807  0.683153  1
  Fe  Fe401  1  0.183797  0.398524  0.660694  1
  Fe  Fe402  1  0.123768  0.562673  0.672342  1
  Fe  Fe403  1  0.396778  0.393474  0.683153  1
  Fe  Fe404  1  0.517130  0.565191  0.660694  1
  Fe  Fe405  1  0.457101  0.729340  0.672342  1
  Fe  Fe406  1  0.730111  0.060141  0.683153  1
  Fe  Fe407  1  0.850464  0.231857  0.660694  1
  Fe  Fe408  1  0.790434  0.396007  0.672342  1
  Fe  Fe409  1  0.183797  0.898524  0.660694  1
  Fe  Fe410  1  0.123768  0.062673  0.672342  1
  Fe  Fe411  1  0.396778  0.893474  0.683153  1
  Fe  Fe412  1  0.517130  0.065191  0.660694  1
  Fe  Fe413  1  0.457101  0.229340  0.672342  1
  Fe  Fe414  1  0.790434  0.896007  0.672342  1
  Fe  Fe415  1  0.344627  0.817174  0.651809  1
  Fe  Fe416  1  0.011294  0.650507  0.651809  1
  Fe  Fe417  1  0.950769  0.814597  0.663236  1
  Fe  Fe418  1  0.344627  0.317174  0.651809  1
  Fe  Fe419  1  0.284102  0.481264  0.663236  1
  Fe  Fe420  1  0.223370  0.645615  0.674272  1
  Fe  Fe421  1  0.677960  0.483840  0.651809  1
  Fe  Fe422  1  0.617435  0.647931  0.663236  1
  Fe  Fe423  1  0.556703  0.812282  0.674272  1
  Fe  Fe424  1  0.011294  0.150507  0.651809  1
  Fe  Fe425  1  0.950769  0.314597  0.663236  1
  Fe  Fe426  1  0.890036  0.478948  0.674272  1
  Fe  Fe427  1  0.284102  0.981264  0.663236  1
  Fe  Fe428  1  0.223370  0.145615  0.674272  1
  Fe  Fe429  1  0.677960  0.983840  0.651809  1
  Fe  Fe430  1  0.617435  0.147931  0.663236  1
  Fe  Fe431  1  0.556703  0.312282  0.674272  1
  Fe  Fe432  1  0.890036  0.978948  0.674272  1
  Fe  Fe433  1  0.881214  0.719872  0.714423  1
  Fe  Fe434  1  0.547880  0.553205  0.714423  1
  Fe  Fe435  1  0.670654  0.724738  0.693555  1
  Fe  Fe436  1  0.881214  0.219872  0.714423  1
  Fe  Fe437  1  0.003987  0.391405  0.693555  1
  Fe  Fe438  1  0.942980  0.555803  0.704135  1
  Fe  Fe439  1  0.214547  0.386539  0.714423  1
  Fe  Fe440  1  0.337321  0.558071  0.693555  1
  Fe  Fe441  1  0.276313  0.722470  0.704135  1
  Fe  Fe442  1  0.547880  0.053205  0.714423  1
  Fe  Fe443  1  0.670654  0.224738  0.693555  1
  Fe  Fe444  1  0.609646  0.389137  0.704135  1
  Fe  Fe445  1  0.003987  0.891405  0.693555  1
  Fe  Fe446  1  0.942980  0.055803  0.704135  1
  Fe  Fe447  1  0.214547  0.886539  0.714423  1
  Fe  Fe448  1  0.337321  0.058071  0.693555  1
  Fe  Fe449  1  0.276313  0.222470  0.704135  1
  Fe  Fe450  1  0.609646  0.889137  0.704135  1
  Fe  Fe451  1  0.162556  0.809856  0.684940  1
  Fe  Fe452  1  0.829223  0.643189  0.684940  1
  Fe  Fe453  1  0.768121  0.807231  0.695677  1
  Fe  Fe454  1  0.162556  0.309856  0.684940  1
  Fe  Fe455  1  0.101454  0.473897  0.695677  1
  Fe  Fe456  1  0.038456  0.638857  0.706162  1
  Fe  Fe457  1  0.495889  0.476522  0.684940  1
  Fe  Fe458  1  0.434788  0.640564  0.695677  1
  Fe  Fe459  1  0.371789  0.805523  0.706162  1
  Fe  Fe460  1  0.829223  0.143189  0.684940  1
  Fe  Fe461  1  0.768121  0.307231  0.695677  1
  Fe  Fe462  1  0.705123  0.472190  0.706162  1
  Fe  Fe463  1  0.101454  0.973897  0.695677  1
  Fe  Fe464  1  0.038456  0.138857  0.706162  1
  Fe  Fe465  1  0.495889  0.976522  0.684940  1
  Fe  Fe466  1  0.434788  0.140564  0.695677  1
  Fe  Fe467  1  0.371789  0.305523  0.706162  1
  Fe  Fe468  1  0.705123  0.972190  0.706162  1
