# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.23532996
_cell_length_b   16.89837388
_cell_length_c   16.89023785
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe431
_cell_volume   5204.68327513
_cell_formula_units_Z   431
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  0.049632  0.087358  0.272574  1
  Fe  Fe2  1  0.069435  0.080486  0.444828  1
  Fe  Fe3  1  0.070049  0.086465  0.594427  1
  Fe  Fe4  1  0.055120  0.077853  0.746546  1
  Fe  Fe5  1  0.042086  0.081040  0.903527  1
  Fe  Fe6  1  0.029370  0.268992  0.105875  1
  Fe  Fe7  1  0.053590  0.252463  0.268449  1
  Fe  Fe8  1  0.044706  0.273516  0.429016  1
  Fe  Fe9  1  0.039544  0.284434  0.589719  1
  Fe  Fe10  1  0.038310  0.269010  0.750073  1
  Fe  Fe11  1  0.045489  0.244653  0.901642  1
  Fe  Fe12  1  0.029228  0.422896  0.091272  1
  Fe  Fe13  1  0.066508  0.417916  0.281413  1
  Fe  Fe14  1  0.057540  0.433904  0.434137  1
  Fe  Fe15  1  0.052177  0.445630  0.587828  1
  Fe  Fe16  1  0.052191  0.428665  0.744104  1
  Fe  Fe17  1  0.057998  0.410000  0.899119  1
  Fe  Fe18  1  0.037134  0.582291  0.089878  1
  Fe  Fe19  1  0.075336  0.576086  0.282899  1
  Fe  Fe20  1  0.066355  0.592661  0.435751  1
  Fe  Fe21  1  0.061455  0.606585  0.587827  1
  Fe  Fe22  1  0.061018  0.588835  0.742927  1
  Fe  Fe23  1  0.065311  0.569653  0.898388  1
  Fe  Fe24  1  0.044042  0.739709  0.087970  1
  Fe  Fe25  1  0.081506  0.730602  0.283916  1
  Fe  Fe26  1  0.075822  0.753153  0.438489  1
  Fe  Fe27  1  0.067534  0.766334  0.593070  1
  Fe  Fe28  1  0.069550  0.751838  0.744183  1
  Fe  Fe29  1  0.071607  0.728387  0.894900  1
  Fe  Fe30  1  0.048544  0.899590  0.083265  1
  Fe  Fe31  1  0.049408  0.927637  0.251464  1
  Fe  Fe32  1  0.075021  0.912105  0.444291  1
  Fe  Fe33  1  0.062721  0.925865  0.597558  1
  Fe  Fe34  1  0.057150  0.915937  0.753466  1
  Fe  Fe35  1  0.050534  0.921375  0.920956  1
  Fe  Fe36  1  0.198826  0.091392  0.089156  1
  Fe  Fe37  1  0.189633  0.094959  0.243675  1
  Fe  Fe38  1  0.223645  0.094142  0.439776  1
  Fe  Fe39  1  0.223590  0.108694  0.592104  1
  Fe  Fe40  1  0.231912  0.096411  0.744268  1
  Fe  Fe41  1  0.189499  0.100590  0.935698  1
  Fe  Fe42  1  0.194262  0.249176  0.085854  1
  Fe  Fe43  1  0.186046  0.247007  0.239755  1
  Fe  Fe44  1  0.230534  0.253740  0.438812  1
  Fe  Fe45  1  0.227845  0.268558  0.593217  1
  Fe  Fe46  1  0.233564  0.253480  0.742039  1
  Fe  Fe47  1  0.192104  0.258394  0.932716  1
  Fe  Fe48  1  0.210231  0.416818  0.083667  1
  Fe  Fe49  1  0.214032  0.431844  0.245015  1
  Fe  Fe50  1  0.240404  0.413805  0.437405  1
  Fe  Fe51  1  0.238460  0.430046  0.588432  1
  Fe  Fe52  1  0.240666  0.413028  0.739996  1
  Fe  Fe53  1  0.201713  0.420313  0.932328  1
  Fe  Fe54  1  0.217749  0.574394  0.088222  1
  Fe  Fe55  1  0.218451  0.589602  0.246332  1
  Fe  Fe56  1  0.253249  0.574529  0.441018  1
  Fe  Fe57  1  0.252230  0.590910  0.590441  1
  Fe  Fe58  1  0.249762  0.570647  0.738385  1
  Fe  Fe59  1  0.211333  0.579795  0.933312  1
  Fe  Fe60  1  0.224724  0.733331  0.087323  1
  Fe  Fe61  1  0.224819  0.746756  0.252320  1
  Fe  Fe62  1  0.224100  0.773570  0.412731  1
  Fe  Fe63  1  0.246034  0.752477  0.601442  1
  Fe  Fe64  1  0.224564  0.763796  0.764328  1
  Fe  Fe65  1  0.218693  0.740259  0.924804  1
  Fe  Fe66  1  0.186754  0.932437  0.089598  1
  Fe  Fe67  1  0.188536  0.941637  0.234870  1
  Fe  Fe68  1  0.230329  0.931860  0.429633  1
  Fe  Fe69  1  0.247387  0.944623  0.597391  1
  Fe  Fe70  1  0.238146  0.934607  0.756483  1
  Fe  Fe71  1  0.187323  0.940001  0.944856  1
  Fe  Fe72  1  0.378172  0.084130  0.089808  1
  Fe  Fe73  1  0.374347  0.095700  0.246737  1
  Fe  Fe74  1  0.369759  0.103194  0.400778  1
  Fe  Fe75  1  0.415758  0.100150  0.590837  1
  Fe  Fe76  1  0.377791  0.110457  0.782430  1
  Fe  Fe77  1  0.377662  0.093076  0.936518  1
  Fe  Fe78  1  0.379274  0.239421  0.090125  1
  Fe  Fe79  1  0.373190  0.250875  0.245552  1
  Fe  Fe80  1  0.369292  0.257803  0.399446  1
  Fe  Fe81  1  0.417606  0.256581  0.590091  1
  Fe  Fe82  1  0.381033  0.267764  0.779946  1
  Fe  Fe83  1  0.381438  0.250456  0.933877  1
  Fe  Fe84  1  0.380403  0.394556  0.089909  1
  Fe  Fe85  1  0.370538  0.402381  0.249747  1
  Fe  Fe86  1  0.369114  0.409019  0.401728  1
  Fe  Fe87  1  0.420963  0.411696  0.588362  1
  Fe  Fe88  1  0.386658  0.426567  0.776423  1
  Fe  Fe89  1  0.384993  0.408689  0.929423  1
  Fe  Fe90  1  0.399831  0.575729  0.090107  1
  Fe  Fe91  1  0.402880  0.588770  0.253811  1
  Fe  Fe92  1  0.397436  0.594600  0.421585  1
  Fe  Fe93  1  0.393342  0.612189  0.595606  1
  Fe  Fe94  1  0.397073  0.585819  0.765481  1
  Fe  Fe95  1  0.396002  0.573154  0.926764  1
  Fe  Fe96  1  0.367714  0.766674  0.093316  1
  Fe  Fe97  1  0.370237  0.776028  0.244327  1
  Fe  Fe98  1  0.369083  0.787591  0.396819  1
  Fe  Fe99  1  0.395882  0.772429  0.594074  1
  Fe  Fe100  1  0.363288  0.785096  0.791020  1
  Fe  Fe101  1  0.362656  0.769250  0.941927  1
  Fe  Fe102  1  0.371312  0.924720  0.086817  1
  Fe  Fe103  1  0.373238  0.936288  0.242793  1
  Fe  Fe104  1  0.371507  0.944686  0.400684  1
  Fe  Fe105  1  0.402733  0.937291  0.592135  1
  Fe  Fe106  1  0.371369  0.948191  0.783544  1
  Fe  Fe107  1  0.372443  0.932320  0.936013  1
  Fe  Fe108  1  0.561668  0.080052  0.093036  1
  Fe  Fe109  1  0.559109  0.090227  0.248409  1
  Fe  Fe110  1  0.552564  0.100960  0.400319  1
  Fe  Fe111  1  0.549916  0.102874  0.586519  1
  Fe  Fe112  1  0.564126  0.102048  0.784331  1
  Fe  Fe113  1  0.561897  0.083190  0.938883  1
  Fe  Fe114  1  0.565729  0.240895  0.092810  1
  Fe  Fe115  1  0.558298  0.250673  0.251227  1
  Fe  Fe116  1  0.553713  0.260568  0.410456  1
  Fe  Fe117  1  0.550575  0.257049  0.577721  1
  Fe  Fe118  1  0.573907  0.264021  0.788212  1
  Fe  Fe119  1  0.573112  0.247202  0.936343  1
  Fe  Fe120  1  0.559349  0.407042  0.102550  1
  Fe  Fe121  1  0.556362  0.414327  0.258714  1
  Fe  Fe122  1  0.548836  0.425365  0.420201  1
  Fe  Fe123  1  0.552246  0.407147  0.577099  1
  Fe  Fe124  1  0.570631  0.425034  0.772615  1
  Fe  Fe125  1  0.562588  0.408153  0.939270  1
  Fe  Fe126  1  0.545916  0.572966  0.101458  1
  Fe  Fe127  1  0.550635  0.577828  0.257699  1
  Fe  Fe128  1  0.544336  0.591415  0.412588  1
  Fe  Fe129  1  0.539828  0.633534  0.616096  1
  Fe  Fe130  1  0.545041  0.611151  0.776211  1
  Fe  Fe131  1  0.541804  0.596094  0.941584  1
  Fe  Fe132  1  0.548731  0.764846  0.083496  1
  Fe  Fe133  1  0.546989  0.780026  0.244000  1
  Fe  Fe134  1  0.549493  0.786582  0.398175  1
  Fe  Fe135  1  0.538492  0.788838  0.608024  1
  Fe  Fe136  1  0.547094  0.775982  0.776424  1
  Fe  Fe137  1  0.549332  0.758590  0.930138  1
  Fe  Fe138  1  0.555357  0.921580  0.089137  1
  Fe  Fe139  1  0.555364  0.933941  0.244746  1
  Fe  Fe140  1  0.554641  0.940442  0.396308  1
  Fe  Fe141  1  0.541584  0.946750  0.595936  1
  Fe  Fe142  1  0.551376  0.936929  0.781056  1
  Fe  Fe143  1  0.554827  0.920935  0.936337  1
  Fe  Fe144  1  0.745352  0.077087  0.097656  1
  Fe  Fe145  1  0.746893  0.084201  0.251646  1
  Fe  Fe146  1  0.732019  0.099095  0.409946  1
  Fe  Fe147  1  0.702947  0.102333  0.595542  1
  Fe  Fe148  1  0.722778  0.092284  0.755009  1
  Fe  Fe149  1  0.744013  0.069613  0.941615  1
  Fe  Fe150  1  0.747094  0.243763  0.099321  1
  Fe  Fe151  1  0.738248  0.248839  0.262387  1
  Fe  Fe152  1  0.730295  0.262483  0.419096  1
  Fe  Fe153  1  0.709092  0.266297  0.588501  1
  Fe  Fe154  1  0.712266  0.256091  0.757497  1
  Fe  Fe155  1  0.725371  0.263737  0.934462  1
  Fe  Fe156  1  0.748818  0.402790  0.102514  1
  Fe  Fe157  1  0.739316  0.409917  0.268227  1
  Fe  Fe158  1  0.733743  0.421808  0.428402  1
  Fe  Fe159  1  0.716676  0.425678  0.588253  1
  Fe  Fe160  1  0.713511  0.422909  0.743506  1
  Fe  Fe161  1  0.739462  0.432875  0.942272  1
  Fe  Fe162  1  0.720517  0.593346  0.095789  1
  Fe  Fe163  1  0.702669  0.599887  0.253681  1
  Fe  Fe164  1  0.692730  0.613818  0.417754  1
  Fe  Fe165  1  0.685614  0.617033  0.582287  1
  Fe  Fe166  1  0.687642  0.587755  0.746678  1
  Fe  Fe167  1  0.730844  0.595591  0.940669  1
  Fe  Fe168  1  0.729127  0.747361  0.090262  1
  Fe  Fe169  1  0.719393  0.753733  0.248488  1
  Fe  Fe170  1  0.697347  0.766144  0.421245  1
  Fe  Fe171  1  0.688506  0.773275  0.577721  1
  Fe  Fe172  1  0.732113  0.780677  0.774035  1
  Fe  Fe173  1  0.735321  0.754130  0.932704  1
  Fe  Fe174  1  0.736772  0.908961  0.085920  1
  Fe  Fe175  1  0.738703  0.921176  0.240136  1
  Fe  Fe176  1  0.701584  0.919136  0.426630  1
  Fe  Fe177  1  0.690642  0.932845  0.581484  1
  Fe  Fe178  1  0.730879  0.933364  0.770397  1
  Fe  Fe179  1  0.734835  0.913799  0.930948  1
  Fe  Fe180  1  0.878528  0.094532  0.085092  1
  Fe  Fe181  1  0.896719  0.064889  0.279001  1
  Fe  Fe182  1  0.884493  0.078954  0.435519  1
  Fe  Fe183  1  0.882256  0.094360  0.587018  1
  Fe  Fe184  1  0.870540  0.078321  0.732434  1
  Fe  Fe185  1  0.898274  0.085013  0.926479  1
  Fe  Fe186  1  0.895650  0.260604  0.094956  1
  Fe  Fe187  1  0.921057  0.242427  0.275146  1
  Fe  Fe188  1  0.902751  0.250621  0.442163  1
  Fe  Fe189  1  0.896049  0.255484  0.593554  1
  Fe  Fe190  1  0.893587  0.253513  0.744777  1
  Fe  Fe191  1  0.903520  0.243844  0.904638  1
  Fe  Fe192  1  0.894320  0.421741  0.100968  1
  Fe  Fe193  1  0.880483  0.440769  0.267440  1
  Fe  Fe194  1  0.872050  0.449642  0.424800  1
  Fe  Fe195  1  0.865829  0.454454  0.583825  1
  Fe  Fe196  1  0.866638  0.444340  0.746919  1
  Fe  Fe197  1  0.873917  0.434256  0.906137  1
  Fe  Fe198  1  0.905636  0.579699  0.109379  1
  Fe  Fe199  1  0.888890  0.591747  0.271333  1
  Fe  Fe200  1  0.879417  0.604913  0.428660  1
  Fe  Fe201  1  0.875080  0.615363  0.585833  1
  Fe  Fe202  1  0.875742  0.596871  0.744697  1
  Fe  Fe203  1  0.875781  0.580122  0.904955  1
  Fe  Fe204  1  0.911559  0.734032  0.105702  1
  Fe  Fe205  1  0.894974  0.746511  0.271563  1
  Fe  Fe206  1  0.885630  0.761553  0.429173  1
  Fe  Fe207  1  0.879387  0.772017  0.586574  1
  Fe  Fe208  1  0.875426  0.753482  0.743869  1
  Fe  Fe209  1  0.878043  0.727792  0.902682  1
  Fe  Fe210  1  0.917642  0.890086  0.100511  1
  Fe  Fe211  1  0.900953  0.906288  0.268662  1
  Fe  Fe212  1  0.888679  0.917420  0.430111  1
  Fe  Fe213  1  0.879204  0.931455  0.583864  1
  Fe  Fe214  1  0.874400  0.913738  0.736642  1
  Fe  Fe215  1  0.916843  0.918629  0.931761  1
  Fe  Fe216  1  -0.028209  0.012505  0.023021  1
  Fe  Fe217  1  0.968712  0.008151  0.167371  1
  Fe  Fe218  1  -0.013155  0.989956  0.363553  1
  Fe  Fe219  1  -0.025243  1.006144  0.514803  1
  Fe  Fe220  1  0.968163  1.005114  0.664887  1
  Fe  Fe221  1  0.960630  0.990977  0.818780  1
  Fe  Fe222  1  0.969645  0.172478  0.012005  1
  Fe  Fe223  1  0.970290  0.154377  0.171738  1
  Fe  Fe224  1  -0.019241  0.156775  0.370476  1
  Fe  Fe225  1  -0.016769  0.165919  0.519328  1
  Fe  Fe226  1  -0.020827  0.166148  0.665886  1
  Fe  Fe227  1  0.958378  0.149962  0.814364  1
  Fe  Fe228  1  0.967511  0.337959  0.991069  1
  Fe  Fe229  1  0.969541  0.353028  0.200882  1
  Fe  Fe230  1  0.963476  0.356629  0.349937  1
  Fe  Fe231  1  0.956272  0.369081  0.506837  1
  Fe  Fe232  1  0.953045  0.367059  0.666518  1
  Fe  Fe233  1  0.955314  0.351826  0.828563  1
  Fe  Fe234  1  0.967834  0.495246  0.987107  1
  Fe  Fe235  1  -0.016473  0.502150  0.200083  1
  Fe  Fe236  1  -0.026794  0.512172  0.352709  1
  Fe  Fe237  1  0.965955  0.528706  0.509629  1
  Fe  Fe238  1  0.964296  0.524870  0.664429  1
  Fe  Fe239  1  0.966257  0.507205  0.824025  1
  Fe  Fe240  1  -0.028754  0.648517  0.984245  1
  Fe  Fe241  1  -0.009636  0.656470  0.202606  1
  Fe  Fe242  1  -0.020027  0.670286  0.356537  1
  Fe  Fe243  1  -0.025803  0.688189  0.511250  1
  Fe  Fe244  1  -0.029312  0.684649  0.666758  1
  Fe  Fe245  1  -0.027853  0.664188  0.822584  1
  Fe  Fe246  1  -0.024111  0.801045  0.981938  1
  Fe  Fe247  1  -0.004456  0.809291  0.200904  1
  Fe  Fe248  1  -0.012459  0.828621  0.356134  1
  Fe  Fe249  1  -0.023522  0.844824  0.513803  1
  Fe  Fe250  1  -0.028625  0.842386  0.668236  1
  Fe  Fe251  1  0.970077  0.824465  0.825763  1
  Fe  Fe252  1  0.102187  0.023095  0.016719  1
  Fe  Fe253  1  0.101317  0.019931  0.158337  1
  Fe  Fe254  1  0.139158  1.006355  0.350650  1
  Fe  Fe255  1  0.152002  1.001011  0.520632  1
  Fe  Fe256  1  0.149575  1.005054  0.675844  1
  Fe  Fe257  1  0.141310  1.004151  0.827971  1
  Fe  Fe258  1  0.100514  0.172670  0.014978  1
  Fe  Fe259  1  0.102328  0.163523  0.159301  1
  Fe  Fe260  1  0.134897  0.173244  0.356878  1
  Fe  Fe261  1  0.129283  0.195261  0.513654  1
  Fe  Fe262  1  0.129329  0.193350  0.669999  1
  Fe  Fe263  1  0.137107  0.167887  0.820357  1
  Fe  Fe264  1  0.108104  0.336545  0.011281  1
  Fe  Fe265  1  0.121512  0.352166  0.169074  1
  Fe  Fe266  1  0.146575  0.332833  0.357585  1
  Fe  Fe267  1  0.140756  0.353430  0.514228  1
  Fe  Fe268  1  0.139350  0.350710  0.666415  1
  Fe  Fe269  1  0.143050  0.329558  0.818824  1
  Fe  Fe270  1  0.116704  0.497603  0.011522  1
  Fe  Fe271  1  0.124144  0.506305  0.167549  1
  Fe  Fe272  1  0.159726  0.495771  0.360291  1
  Fe  Fe273  1  0.152480  0.514892  0.515007  1
  Fe  Fe274  1  0.149582  0.510552  0.664334  1
  Fe  Fe275  1  0.153030  0.490853  0.817772  1
  Fe  Fe276  1  0.124464  0.658176  0.008834  1
  Fe  Fe277  1  0.130720  0.664105  0.167177  1
  Fe  Fe278  1  0.168180  0.653565  0.363535  1
  Fe  Fe279  1  0.163793  0.674485  0.514904  1
  Fe  Fe280  1  0.157463  0.667399  0.667742  1
  Fe  Fe281  1  0.161966  0.648055  0.817284  1
  Fe  Fe282  1  0.131445  0.818845  1.003298  1
  Fe  Fe283  1  0.136050  0.822610  0.170460  1
  Fe  Fe284  1  0.136624  0.850134  0.332241  1
  Fe  Fe285  1  0.166005  0.840320  0.527009  1
  Fe  Fe286  1  0.156951  0.852896  0.676251  1
  Fe  Fe287  1  0.141446  0.844559  0.842399  1
  Fe  Fe288  1  0.284569  0.009802  0.013636  1
  Fe  Fe289  1  0.284951  0.011356  0.165373  1
  Fe  Fe290  1  0.280078  0.022084  0.321430  1
  Fe  Fe291  1  0.325344  0.025019  0.512278  1
  Fe  Fe292  1  0.328854  0.027779  0.672500  1
  Fe  Fe293  1  0.281308  0.025911  0.861514  1
  Fe  Fe294  1  0.286305  0.169123  0.011438  1
  Fe  Fe295  1  0.284803  0.169276  0.168460  1
  Fe  Fe296  1  0.276585  0.177502  0.323514  1
  Fe  Fe297  1  0.320317  0.180630  0.517892  1
  Fe  Fe298  1  0.326505  0.180620  0.666181  1
  Fe  Fe299  1  0.283882  0.184643  0.857603  1
  Fe  Fe300  1  0.289685  0.325780  1.007559  1
  Fe  Fe301  1  0.282983  0.323975  0.165363  1
  Fe  Fe302  1  0.276096  0.327826  0.320966  1
  Fe  Fe303  1  0.324219  0.334639  0.517952  1
  Fe  Fe304  1  0.330513  0.336775  0.665087  1
  Fe  Fe305  1  0.288204  0.342716  0.854828  1
  Fe  Fe306  1  0.303317  0.490777  0.008531  1
  Fe  Fe307  1  0.309452  0.501020  0.165609  1
  Fe  Fe308  1  0.307433  0.513844  0.324277  1
  Fe  Fe309  1  0.341806  0.495824  0.512519  1
  Fe  Fe310  1  0.337646  0.494696  0.661289  1
  Fe  Fe311  1  0.298203  0.503907  0.853909  1
  Fe  Fe312  1  0.310098  0.651085  1.007092  1
  Fe  Fe313  1  0.314882  0.658252  0.170549  1
  Fe  Fe314  1  0.312153  0.670992  0.334534  1
  Fe  Fe315  1  0.314776  0.692616  0.493428  1
  Fe  Fe316  1  0.319888  0.684767  0.696134  1
  Fe  Fe317  1  0.307228  0.662680  0.847465  1
  Fe  Fe318  1  0.274059  0.849586  0.016813  1
  Fe  Fe319  1  0.277543  0.853111  0.164879  1
  Fe  Fe320  1  0.277645  0.865716  0.313641  1
  Fe  Fe321  1  0.314362  0.852988  0.510725  1
  Fe  Fe322  1  0.314388  0.849944  0.675936  1
  Fe  Fe323  1  0.275474  0.861170  0.870149  1
  Fe  Fe324  1  0.466831  1.001509  0.013735  1
  Fe  Fe325  1  0.466384  0.008384  0.167920  1
  Fe  Fe326  1  0.463536  0.022176  0.325407  1
  Fe  Fe327  1  0.472473  0.016024  0.484464  1
  Fe  Fe328  1  0.474049  0.030699  0.700275  1
  Fe  Fe329  1  0.466510  0.017087  0.858913  1
  Fe  Fe330  1  0.473104  0.161797  0.014333  1
  Fe  Fe331  1  0.469828  0.165869  0.169771  1
  Fe  Fe332  1  0.463669  0.180181  0.325474  1
  Fe  Fe333  1  0.462699  0.175834  0.479516  1
  Fe  Fe334  1  0.477616  0.190060  0.700048  1
  Fe  Fe335  1  0.474393  0.178381  0.858826  1
  Fe  Fe336  1  0.474414  0.318727  0.013363  1
  Fe  Fe337  1  0.469265  0.322435  0.170793  1
  Fe  Fe338  1  0.464711  0.334169  0.326563  1
  Fe  Fe339  1  0.460045  0.334517  0.477941  1
  Fe  Fe340  1  0.482160  0.344758  0.696814  1
  Fe  Fe341  1  0.476867  0.336176  0.854865  1
  Fe  Fe342  1  0.470619  0.479983  0.014770  1
  Fe  Fe343  1  0.462413  0.481715  0.179456  1
  Fe  Fe344  1  0.459337  0.492564  0.339500  1
  Fe  Fe345  1  0.484114  0.523683  0.523367  1
  Fe  Fe346  1  0.478473  0.506736  0.681024  1
  Fe  Fe347  1  0.482668  0.496296  0.850081  1
  Fe  Fe348  1  0.456969  0.681911  0.018094  1
  Fe  Fe349  1  0.469904  0.683917  0.173863  1
  Fe  Fe350  1  0.464860  0.692954  0.333621  1
  Fe  Fe351  1  0.464634  0.704954  0.492314  1
  Fe  Fe352  1  0.453140  0.705633  0.704821  1
  Fe  Fe353  1  0.450972  0.690481  0.859965  1
  Fe  Fe354  1  0.460171  0.842342  0.008073  1
  Fe  Fe355  1  0.460239  0.848915  0.161851  1
  Fe  Fe356  1  0.460887  0.863232  0.322910  1
  Fe  Fe357  1  0.462774  0.858748  0.488480  1
  Fe  Fe358  1  0.457244  0.867886  0.702102  1
  Fe  Fe359  1  0.460416  0.853584  0.858612  1
  Fe  Fe360  1  0.649239  0.993529  0.012656  1
  Fe  Fe361  1  0.650792  1.002523  0.168937  1
  Fe  Fe362  1  0.650750  0.015395  0.326459  1
  Fe  Fe363  1  0.629062  0.023985  0.490584  1
  Fe  Fe364  1  0.628017  0.017036  0.687435  1
  Fe  Fe365  1  0.646846  1.006078  0.854794  1
  Fe  Fe366  1  0.658436  0.154723  0.018570  1
  Fe  Fe367  1  0.653768  0.162949  0.176349  1
  Fe  Fe368  1  0.645727  0.175626  0.331486  1
  Fe  Fe369  1  0.641153  0.180115  0.489823  1
  Fe  Fe370  1  0.621598  0.180512  0.680209  1
  Fe  Fe371  1  0.661181  0.160510  0.864883  1
  Fe  Fe372  1  0.652346  0.340820  0.024846  1
  Fe  Fe373  1  0.651874  0.325655  0.180500  1
  Fe  Fe374  1  0.644177  0.337675  0.337193  1
  Fe  Fe375  1  0.638584  0.342461  0.489909  1
  Fe  Fe376  1  0.625114  0.337859  0.674284  1
  Fe  Fe377  1  0.658546  0.357505  0.857709  1
  Fe  Fe378  1  0.642865  0.500770  0.019321  1
  Fe  Fe379  1  0.649692  0.486236  0.180165  1
  Fe  Fe380  1  0.643224  0.496464  0.344938  1
  Fe  Fe381  1  0.632115  0.507315  0.503973  1
  Fe  Fe382  1  0.612414  0.507072  0.661476  1
  Fe  Fe383  1  0.636887  0.518668  0.861631  1
  Fe  Fe384  1  0.635827  0.669122  0.012190  1
  Fe  Fe385  1  0.623465  0.679418  0.166751  1
  Fe  Fe386  1  0.615780  0.687595  0.323884  1
  Fe  Fe387  1  0.598770  0.695603  0.498072  1
  Fe  Fe388  1  0.636988  0.708660  0.694943  1
  Fe  Fe389  1  0.639837  0.682214  0.854591  1
  Fe  Fe390  1  0.644341  0.830649  1.007213  1
  Fe  Fe391  1  0.642604  0.840263  0.162531  1
  Fe  Fe392  1  0.644813  0.853178  0.315767  1
  Fe  Fe393  1  0.604012  0.858476  0.503725  1
  Fe  Fe394  1  0.636135  0.863537  0.693542  1
  Fe  Fe395  1  0.640822  0.845335  0.853629  1
  Fe  Fe396  1  0.828648  0.982692  0.012910  1
  Fe  Fe397  1  0.833993  0.985299  0.164899  1
  Fe  Fe398  1  0.798612  0.986512  0.351421  1
  Fe  Fe399  1  0.786592  0.009206  0.507359  1
  Fe  Fe400  1  0.782927  1.000946  0.656428  1
  Fe  Fe401  1  0.821359  1.005488  0.845085  1
  Fe  Fe402  1  0.815167  0.178690  0.993555  1
  Fe  Fe403  1  0.832221  0.173868  0.190682  1
  Fe  Fe404  1  0.825849  0.176952  0.347263  1
  Fe  Fe405  1  0.798387  0.177849  0.510688  1
  Fe  Fe406  1  0.798384  0.185940  0.670067  1
  Fe  Fe407  1  0.807067  0.169556  0.836978  1
  Fe  Fe408  1  0.827900  0.333573  0.995877  1
  Fe  Fe409  1  0.830470  0.327396  0.198114  1
  Fe  Fe410  1  0.828447  0.332660  0.351689  1
  Fe  Fe411  1  0.813484  0.338669  0.514583  1
  Fe  Fe412  1  0.805582  0.340083  0.670638  1
  Fe  Fe413  1  0.804632  0.331202  0.833506  1
  Fe  Fe414  1  0.820352  0.515343  0.021852  1
  Fe  Fe415  1  0.799974  0.514226  0.179346  1
  Fe  Fe416  1  0.786819  0.526665  0.339732  1
  Fe  Fe417  1  0.779072  0.538135  0.501860  1
  Fe  Fe418  1  0.780921  0.533186  0.662292  1
  Fe  Fe419  1  0.778395  0.513972  0.828950  1
  Fe  Fe420  1  0.823320  0.667670  0.021048  1
  Fe  Fe421  1  0.808574  0.664776  0.181530  1
  Fe  Fe422  1  0.794275  0.679095  0.344470  1
  Fe  Fe423  1  0.785800  0.694521  0.505411  1
  Fe  Fe424  1  0.780024  0.685703  0.663586  1
  Fe  Fe425  1  0.781756  0.659723  0.822969  1
  Fe  Fe426  1  0.829356  0.824939  0.012686  1
  Fe  Fe427  1  0.819181  0.822208  0.174958  1
  Fe  Fe428  1  0.797657  0.833149  0.344348  1
  Fe  Fe429  1  0.791053  0.850246  0.505640  1
  Fe  Fe430  1  0.782028  0.843077  0.656690  1
  Fe  Fe431  1  0.826638  0.848803  0.852928  1
