# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.11561128
_cell_length_b   22.99837657
_cell_length_c   47.11683034
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe504
_cell_volume   13991.8577336
_cell_formula_units_Z   504
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  0.880113  0.639945  0.342587  1
  Fe  Fe2  1  0.547055  0.473462  0.342858  1
  Fe  Fe3  1  0.640101  0.662999  0.300926  1
  Fe  Fe4  1  0.020783  0.175134  0.282523  1
  Fe  Fe5  1  0.974320  0.331426  0.301284  1
  Fe  Fe6  1  0.927567  0.485622  0.321010  1
  Fe  Fe7  1  0.353275  0.341081  0.282794  1
  Fe  Fe8  1  0.307126  0.497702  0.301313  1
  Fe  Fe9  1  0.260400  0.651873  0.321049  1
  Fe  Fe10  1  0.687398  0.008470  0.282544  1
  Fe  Fe11  1  0.641420  0.165107  0.301147  1
  Fe  Fe12  1  0.594353  0.318888  0.320855  1
  Fe  Fe13  1  0.974297  0.830210  0.300880  1
  Fe  Fe14  1  0.926128  0.986299  0.321756  1
  Fe  Fe15  1  0.353826  0.841985  0.282514  1
  Fe  Fe16  1  0.307531  0.996593  0.300627  1
  Fe  Fe17  1  0.259274  0.152626  0.321870  1
  Fe  Fe18  1  0.592753  0.819558  0.321822  1
  Fe  Fe19  1  0.117601  0.741284  0.310648  1
  Fe  Fe20  1  0.784111  0.573859  0.310737  1
  Fe  Fe21  1  0.737413  0.729405  0.332864  1
  Fe  Fe22  1  0.117176  0.241587  0.310921  1
  Fe  Fe23  1  0.069332  0.396671  0.331812  1
  Fe  Fe24  1  0.163672  0.585707  0.292627  1
  Fe  Fe25  1  0.450770  0.407209  0.311100  1
  Fe  Fe26  1  0.402449  0.563589  0.331798  1
  Fe  Fe27  1  0.497230  0.754008  0.291325  1
  Fe  Fe28  1  0.784022  0.075191  0.310816  1
  Fe  Fe29  1  0.736430  0.230118  0.331850  1
  Fe  Fe30  1  0.830665  0.419399  0.292649  1
  Fe  Fe31  1  0.070691  0.896144  0.332658  1
  Fe  Fe32  1  0.164076  0.087327  0.291270  1
  Fe  Fe33  1  0.451163  0.908337  0.310735  1
  Fe  Fe34  1  0.404175  0.062743  0.332622  1
  Fe  Fe35  1  0.496320  0.253475  0.292014  1
  Fe  Fe36  1  0.831056  0.920676  0.291296  1
  Fe  Fe37  1  0.927111  0.735077  0.320857  1
  Fe  Fe38  1  0.593766  0.567933  0.320961  1
  Fe  Fe39  1  0.686769  0.757927  0.282798  1
  Fe  Fe40  1  0.926741  0.236590  0.321792  1
  Fe  Fe41  1  0.880343  0.390026  0.342804  1
  Fe  Fe42  1  0.974044  0.581763  0.301323  1
  Fe  Fe43  1  0.259628  0.403086  0.321809  1
  Fe  Fe44  1  0.213618  0.556544  0.342778  1
  Fe  Fe45  1  0.307425  0.746985  0.300938  1
  Fe  Fe46  1  0.593530  0.070085  0.321681  1
  Fe  Fe47  1  0.547150  0.223473  0.342597  1
  Fe  Fe48  1  0.641048  0.415086  0.301433  1
  Fe  Fe49  1  0.020434  0.925201  0.282494  1
  Fe  Fe50  1  0.973899  0.080184  0.300773  1
  Fe  Fe51  1  0.259674  0.902845  0.321851  1
  Fe  Fe52  1  0.353257  0.091910  0.282502  1
  Fe  Fe53  1  0.306840  0.246165  0.300782  1
  Fe  Fe54  1  0.640955  0.913350  0.300685  1
  Fe  Fe55  1  0.069524  0.647046  0.331901  1
  Fe  Fe56  1  0.736445  0.480063  0.332098  1
  Fe  Fe57  1  0.829010  0.669812  0.292068  1
  Fe  Fe58  1  0.070601  0.146089  0.332677  1
  Fe  Fe59  1  0.164539  0.336872  0.291715  1
  Fe  Fe60  1  0.116831  0.490727  0.310775  1
  Fe  Fe61  1  0.404222  0.312553  0.332890  1
  Fe  Fe62  1  0.496230  0.502167  0.292539  1
  Fe  Fe63  1  0.450538  0.657771  0.310622  1
  Fe  Fe64  1  0.737539  0.979485  0.332649  1
  Fe  Fe65  1  0.831961  0.170547  0.291717  1
  Fe  Fe66  1  0.783992  0.324239  0.310806  1
  Fe  Fe67  1  0.164356  0.837509  0.291347  1
  Fe  Fe68  1  0.117634  0.991465  0.310769  1
  Fe  Fe69  1  0.403960  0.812839  0.332659  1
  Fe  Fe70  1  0.497788  0.004470  0.291254  1
  Fe  Fe71  1  0.451176  0.157737  0.310870  1
  Fe  Fe72  1  0.784452  0.824637  0.310794  1
  Fe  Fe73  1  0.737850  0.604149  0.404697  1
  Fe  Fe74  1  0.404514  0.437752  0.404791  1
  Fe  Fe75  1  0.499748  0.628110  0.362497  1
  Fe  Fe76  1  0.880908  0.140403  0.342246  1
  Fe  Fe77  1  0.832461  0.295203  0.363110  1
  Fe  Fe78  1  0.784876  0.449833  0.383911  1
  Fe  Fe79  1  0.214568  0.306966  0.342139  1
  Fe  Fe80  1  0.165647  0.461832  0.363064  1
  Fe  Fe81  1  0.118190  0.616527  0.383812  1
  Fe  Fe82  1  0.547939  0.973596  0.341970  1
  Fe  Fe83  1  0.499274  0.128636  0.363221  1
  Fe  Fe84  1  0.452151  0.282999  0.384318  1
  Fe  Fe85  1  0.833271  0.795043  0.362781  1
  Fe  Fe86  1  0.785467  0.949577  0.384177  1
  Fe  Fe87  1  0.214042  0.806624  0.342073  1
  Fe  Fe88  1  0.165867  0.962057  0.363192  1
  Fe  Fe89  1  0.118764  0.116248  0.384187  1
  Fe  Fe90  1  0.452125  0.782747  0.384076  1
  Fe  Fe91  1  0.975255  0.705850  0.373359  1
  Fe  Fe92  1  0.642084  0.539290  0.373466  1
  Fe  Fe93  1  0.594998  0.693300  0.394116  1
  Fe  Fe94  1  0.975425  0.206088  0.373638  1
  Fe  Fe95  1  0.928253  0.360400  0.394550  1
  Fe  Fe96  1  0.023827  0.550871  0.352182  1
  Fe  Fe97  1  0.308838  0.372835  0.373617  1
  Fe  Fe98  1  0.261568  0.526944  0.394493  1
  Fe  Fe99  1  0.357082  0.717087  0.352260  1
  Fe  Fe100  1  0.642080  0.039361  0.373578  1
  Fe  Fe101  1  0.595027  0.193688  0.394529  1
  Fe  Fe102  1  0.690419  0.384053  0.352292  1
  Fe  Fe103  1  0.928365  0.860133  0.394287  1
  Fe  Fe104  1  0.023509  0.050814  0.352465  1
  Fe  Fe105  1  0.308632  0.872509  0.373615  1
  Fe  Fe106  1  0.261647  0.026946  0.394410  1
  Fe  Fe107  1  0.356792  0.217310  0.352425  1
  Fe  Fe108  1  0.690410  0.884071  0.352429  1
  Fe  Fe109  1  0.785358  0.699540  0.384214  1
  Fe  Fe110  1  0.451544  0.533365  0.383877  1
  Fe  Fe111  1  0.547631  0.723267  0.341927  1
  Fe  Fe112  1  0.785116  0.199808  0.383869  1
  Fe  Fe113  1  0.737616  0.354446  0.404859  1
  Fe  Fe114  1  0.833179  0.544754  0.362717  1
  Fe  Fe115  1  0.118507  0.366453  0.383810  1
  Fe  Fe116  1  0.070971  0.521068  0.404800  1
  Fe  Fe117  1  0.166384  0.711547  0.362634  1
  Fe  Fe118  1  0.452169  0.032834  0.384163  1
  Fe  Fe119  1  0.404232  0.187746  0.404926  1
  Fe  Fe120  1  0.500060  0.378203  0.362932  1
  Fe  Fe121  1  0.881023  0.890117  0.342089  1
  Fe  Fe122  1  0.832579  0.045532  0.363166  1
  Fe  Fe123  1  0.118683  0.866072  0.384119  1
  Fe  Fe124  1  0.214362  0.056569  0.342029  1
  Fe  Fe125  1  0.165916  0.212166  0.363200  1
  Fe  Fe126  1  0.499278  0.878847  0.363145  1
  Fe  Fe127  1  0.928302  0.610069  0.394345  1
  Fe  Fe128  1  0.594941  0.443660  0.394514  1
  Fe  Fe129  1  0.690265  0.633565  0.352134  1
  Fe  Fe130  1  0.928267  0.110461  0.394450  1
  Fe  Fe131  1  0.023815  0.301095  0.352557  1
  Fe  Fe132  1  0.975437  0.455991  0.373378  1
  Fe  Fe133  1  0.261681  0.277174  0.394409  1
  Fe  Fe134  1  0.357321  0.467687  0.352393  1
  Fe  Fe135  1  0.308678  0.622558  0.373372  1
  Fe  Fe136  1  0.595087  0.943638  0.394369  1
  Fe  Fe137  1  0.690409  0.134481  0.352516  1
  Fe  Fe138  1  0.642140  0.289273  0.373394  1
  Fe  Fe139  1  0.023593  0.800362  0.352253  1
  Fe  Fe140  1  0.975293  0.955926  0.373612  1
  Fe  Fe141  1  0.261648  0.776673  0.394217  1
  Fe  Fe142  1  0.357031  0.967438  0.352441  1
  Fe  Fe143  1  0.308638  0.122509  0.373645  1
  Fe  Fe144  1  0.641959  0.789235  0.373604  1
  Fe  Fe145  1  0.595064  0.568227  0.467531  1
  Fe  Fe146  1  0.261753  0.401671  0.467611  1
  Fe  Fe147  1  0.356791  0.592350  0.425691  1
  Fe  Fe148  1  0.737693  0.104452  0.404913  1
  Fe  Fe149  1  0.690163  0.259076  0.425749  1
  Fe  Fe150  1  0.642653  0.413704  0.446741  1
  Fe  Fe151  1  0.071053  0.271208  0.404929  1
  Fe  Fe152  1  0.023516  0.425711  0.425716  1
  Fe  Fe153  1  0.975949  0.580210  0.446640  1
  Fe  Fe154  1  0.404315  0.937653  0.404878  1
  Fe  Fe155  1  0.356799  0.092314  0.425815  1
  Fe  Fe156  1  0.309291  0.247067  0.446724  1
  Fe  Fe157  1  0.690031  0.758874  0.425707  1
  Fe  Fe158  1  0.642651  0.913486  0.446610  1
  Fe  Fe159  1  0.071151  0.770723  0.404668  1
  Fe  Fe160  1  0.023423  0.925559  0.425750  1
  Fe  Fe161  1  0.975938  0.080323  0.446705  1
  Fe  Fe162  1  0.309314  0.746716  0.446529  1
  Fe  Fe163  1  0.833120  0.669487  0.436202  1
  Fe  Fe164  1  0.499691  0.503030  0.436183  1
  Fe  Fe165  1  0.452204  0.657494  0.457034  1
  Fe  Fe166  1  0.833046  0.169703  0.436217  1
  Fe  Fe167  1  0.785501  0.324348  0.457148  1
  Fe  Fe168  1  0.880561  0.514938  0.415202  1
  Fe  Fe169  1  0.166426  0.336402  0.436213  1
  Fe  Fe170  1  0.118833  0.490964  0.457117  1
  Fe  Fe171  1  0.213874  0.681557  0.415145  1
  Fe  Fe172  1  0.499790  1.002872  0.436258  1
  Fe  Fe173  1  0.452153  0.157630  0.457148  1
  Fe  Fe174  1  0.547346  0.348446  0.415341  1
  Fe  Fe175  1  0.785479  0.824111  0.457037  1
  Fe  Fe176  1  0.880555  0.015095  0.415365  1
  Fe  Fe177  1  0.166425  0.836060  0.436166  1
  Fe  Fe178  1  0.118782  0.990866  0.457105  1
  Fe  Fe179  1  0.213883  0.181831  0.415383  1
  Fe  Fe180  1  0.547179  0.848343  0.415306  1
  Fe  Fe181  1  0.642645  0.663465  0.446556  1
  Fe  Fe182  1  0.309332  0.496955  0.446679  1
  Fe  Fe183  1  0.404581  0.687394  0.404628  1
  Fe  Fe184  1  0.642661  0.163661  0.446723  1
  Fe  Fe185  1  0.595113  0.318329  0.467606  1
  Fe  Fe186  1  0.690128  0.509039  0.425734  1
  Fe  Fe187  1  0.975975  0.330370  0.446732  1
  Fe  Fe188  1  0.928420  0.484921  0.467551  1
  Fe  Fe189  1  0.023410  0.675560  0.425642  1
  Fe  Fe190  1  0.309244  0.996886  0.446672  1
  Fe  Fe191  1  0.261744  0.151613  0.467601  1
  Fe  Fe192  1  0.356838  0.342505  0.425832  1
  Fe  Fe193  1  0.737850  0.854166  0.404745  1
  Fe  Fe194  1  0.690146  0.008997  0.425785  1
  Fe  Fe195  1  0.976002  0.830106  0.446578  1
  Fe  Fe196  1  0.070939  0.021060  0.404906  1
  Fe  Fe197  1  0.023491  0.175764  0.425816  1
  Fe  Fe198  1  0.356741  0.842149  0.425708  1
  Fe  Fe199  1  0.785528  0.574206  0.457065  1
  Fe  Fe200  1  0.452214  0.407697  0.457148  1
  Fe  Fe201  1  0.547227  0.598328  0.415176  1
  Fe  Fe202  1  0.785504  0.074263  0.457133  1
  Fe  Fe203  1  0.880490  0.265112  0.415347  1
  Fe  Fe204  1  0.833023  0.419706  0.436221  1
  Fe  Fe205  1  0.118867  0.241025  0.457164  1
  Fe  Fe206  1  0.213832  0.431752  0.415317  1
  Fe  Fe207  1  0.166351  0.586290  0.436151  1
  Fe  Fe208  1  0.452101  0.907472  0.457075  1
  Fe  Fe209  1  0.547216  0.098413  0.415380  1
  Fe  Fe210  1  0.499806  0.253019  0.436333  1
  Fe  Fe211  1  0.880616  0.764962  0.415228  1
  Fe  Fe212  1  0.833118  0.919472  0.436210  1
  Fe  Fe213  1  0.118839  0.740755  0.457007  1
  Fe  Fe214  1  0.213816  0.931658  0.415335  1
  Fe  Fe215  1  0.166438  0.086289  0.436286  1
  Fe  Fe216  1  0.499789  0.752720  0.436130  1
  Fe  Fe217  1  0.452459  0.532164  0.530341  1
  Fe  Fe218  1  0.119158  0.365507  0.530299  1
  Fe  Fe219  1  0.214196  0.556206  0.488468  1
  Fe  Fe220  1  0.595059  0.068215  0.467572  1
  Fe  Fe221  1  0.547567  0.222912  0.488512  1
  Fe  Fe222  1  0.499995  0.377609  0.509423  1
  Fe  Fe223  1  0.928404  0.234973  0.467594  1
  Fe  Fe224  1  0.880880  0.389615  0.488509  1
  Fe  Fe225  1  0.833304  0.544193  0.509376  1
  Fe  Fe226  1  0.261676  0.901430  0.467515  1
  Fe  Fe227  1  0.214176  0.056144  0.488467  1
  Fe  Fe228  1  0.166678  0.210855  0.509395  1
  Fe  Fe229  1  0.547522  0.722735  0.488418  1
  Fe  Fe230  1  0.499928  0.877322  0.509300  1
  Fe  Fe231  1  0.928400  0.734795  0.467492  1
  Fe  Fe232  1  0.880852  0.889378  0.488411  1
  Fe  Fe233  1  0.833301  0.044051  0.509331  1
  Fe  Fe234  1  0.166659  0.710710  0.509318  1
  Fe  Fe235  1  0.690399  0.633456  0.498890  1
  Fe  Fe236  1  0.357114  0.466926  0.498977  1
  Fe  Fe237  1  0.309545  0.621428  0.519821  1
  Fe  Fe238  1  0.690439  0.133488  0.498913  1
  Fe  Fe239  1  0.642902  0.288211  0.519847  1
  Fe  Fe240  1  0.737985  0.478950  0.478047  1
  Fe  Fe241  1  0.023786  0.300243  0.498956  1
  Fe  Fe242  1  0.976245  0.454872  0.519854  1
  Fe  Fe243  1  0.071288  0.645484  0.477969  1
  Fe  Fe244  1  0.357028  0.966720  0.498866  1
  Fe  Fe245  1  0.309536  0.121420  0.519814  1
  Fe  Fe246  1  0.404669  0.312332  0.478077  1
  Fe  Fe247  1  0.642841  0.788002  0.519777  1
  Fe  Fe248  1  0.737944  0.978780  0.477976  1
  Fe  Fe249  1  0.023756  0.800042  0.498843  1
  Fe  Fe250  1  0.976180  0.954676  0.519778  1
  Fe  Fe251  1  0.071313  0.145588  0.478040  1
  Fe  Fe252  1  0.404589  0.812034  0.477933  1
  Fe  Fe253  1  0.499975  0.627441  0.509362  1
  Fe  Fe254  1  0.166650  0.460911  0.509411  1
  Fe  Fe255  1  0.261733  0.651494  0.467495  1
  Fe  Fe256  1  0.499967  0.127456  0.509338  1
  Fe  Fe257  1  0.452488  0.282178  0.530298  1
  Fe  Fe258  1  0.547535  0.472953  0.488516  1
  Fe  Fe259  1  0.833322  0.294236  0.509392  1
  Fe  Fe260  1  0.785787  0.448845  0.530325  1
  Fe  Fe261  1  0.880859  0.639474  0.488457  1
  Fe  Fe262  1  0.166621  0.960698  0.509321  1
  Fe  Fe263  1  0.119115  0.115389  0.530243  1
  Fe  Fe264  1  0.214230  0.306293  0.488507  1
  Fe  Fe265  1  0.595010  0.818102  0.467502  1
  Fe  Fe266  1  0.547495  0.972736  0.488431  1
  Fe  Fe267  1  0.833287  0.794027  0.509309  1
  Fe  Fe268  1  0.928377  0.984826  0.467546  1
  Fe  Fe269  1  0.880854  0.139543  0.488467  1
  Fe  Fe270  1  0.214178  0.806023  0.488398  1
  Fe  Fe271  1  0.642887  0.538179  0.519869  1
  Fe  Fe272  1  0.309582  0.371579  0.519886  1
  Fe  Fe273  1  0.404638  0.562223  0.478007  1
  Fe  Fe274  1  0.642840  0.038008  0.519760  1
  Fe  Fe275  1  0.737987  0.228949  0.478033  1
  Fe  Fe276  1  0.690441  0.383604  0.498978  1
  Fe  Fe277  1  0.976218  0.204810  0.519820  1
  Fe  Fe278  1  0.071333  0.395627  0.478037  1
  Fe  Fe279  1  0.023761  0.550192  0.498939  1
  Fe  Fe280  1  0.309496  0.871296  0.519754  1
  Fe  Fe281  1  0.404610  0.062169  0.478018  1
  Fe  Fe282  1  0.357109  0.216889  0.498939  1
  Fe  Fe283  1  0.737931  0.728767  0.477962  1
  Fe  Fe284  1  0.690375  0.883367  0.498849  1
  Fe  Fe285  1  0.976210  0.704721  0.519785  1
  Fe  Fe286  1  0.071276  0.895415  0.477966  1
  Fe  Fe287  1  0.023729  0.050113  0.498889  1
  Fe  Fe288  1  0.357069  0.716731  0.498857  1
  Fe  Fe289  1  0.309574  0.496212  0.593159  1
  Fe  Fe290  1  0.976401  0.329428  0.593044  1
  Fe  Fe291  1  0.071541  0.520189  0.551266  1
  Fe  Fe292  1  0.452375  0.031998  0.530229  1
  Fe  Fe293  1  0.404882  0.186695  0.551115  1
  Fe  Fe294  1  0.357443  0.341436  0.572114  1
  Fe  Fe295  1  0.785795  0.198773  0.530253  1
  Fe  Fe296  1  0.738177  0.353519  0.551227  1
  Fe  Fe297  1  0.690757  0.508061  0.572166  1
  Fe  Fe298  1  0.119093  0.865336  0.530234  1
  Fe  Fe299  1  0.071533  0.019955  0.551085  1
  Fe  Fe300  1  0.024029  0.174570  0.572003  1
  Fe  Fe301  1  0.404819  0.686709  0.551154  1
  Fe  Fe302  1  0.357349  0.841166  0.572047  1
  Fe  Fe303  1  0.785744  0.698703  0.530261  1
  Fe  Fe304  1  0.738151  0.853298  0.551099  1
  Fe  Fe305  1  0.690651  0.007806  0.571973  1
  Fe  Fe306  1  0.024069  0.674643  0.572085  1
  Fe  Fe307  1  0.547808  0.597393  0.561704  1
  Fe  Fe308  1  0.214379  0.430890  0.561668  1
  Fe  Fe309  1  0.166989  0.585353  0.582646  1
  Fe  Fe310  1  0.547687  0.097298  0.561489  1
  Fe  Fe311  1  0.500350  0.251949  0.582459  1
  Fe  Fe312  1  0.595339  0.442869  0.540806  1
  Fe  Fe313  1  0.881073  0.264127  0.561581  1
  Fe  Fe314  1  0.833575  0.418656  0.582566  1
  Fe  Fe315  1  0.928652  0.609451  0.540758  1
  Fe  Fe316  1  0.214487  0.930582  0.561577  1
  Fe  Fe317  1  0.167020  0.085216  0.582471  1
  Fe  Fe318  1  0.262067  0.276121  0.540728  1
  Fe  Fe319  1  0.500233  0.751909  0.582554  1
  Fe  Fe320  1  0.595265  0.942605  0.540662  1
  Fe  Fe321  1  0.881124  0.763944  0.561584  1
  Fe  Fe322  1  0.833671  0.918519  0.582461  1
  Fe  Fe323  1  0.928653  0.109320  0.540665  1
  Fe  Fe324  1  0.261971  0.775983  0.540697  1
  Fe  Fe325  1  0.357418  0.591334  0.572146  1
  Fe  Fe326  1  0.024140  0.424744  0.572089  1
  Fe  Fe327  1  0.119120  0.615428  0.530294  1
  Fe  Fe328  1  0.357335  0.091248  0.572076  1
  Fe  Fe329  1  0.309872  0.245875  0.592911  1
  Fe  Fe330  1  0.404856  0.436891  0.551283  1
  Fe  Fe331  1  0.690757  0.258061  0.572040  1
  Fe  Fe332  1  0.642991  0.412904  0.593142  1
  Fe  Fe333  1  0.738131  0.603485  0.551216  1
  Fe  Fe334  1  0.024000  0.924584  0.572067  1
  Fe  Fe335  1  0.976447  0.079105  0.592881  1
  Fe  Fe336  1  0.071550  0.270090  0.551178  1
  Fe  Fe337  1  0.452409  0.781986  0.530237  1
  Fe  Fe338  1  0.404819  0.936573  0.551069  1
  Fe  Fe339  1  0.690673  0.757842  0.572063  1
  Fe  Fe340  1  0.785754  0.948630  0.530205  1
  Fe  Fe341  1  0.738220  0.103265  0.551096  1
  Fe  Fe342  1  0.071582  0.769993  0.551097  1
  Fe  Fe343  1  0.500290  0.502031  0.582658  1
  Fe  Fe344  1  0.167022  0.335259  0.582486  1
  Fe  Fe345  1  0.261991  0.526162  0.540794  1
  Fe  Fe346  1  0.500124  1.001837  0.582473  1
  Fe  Fe347  1  0.595388  0.192736  0.540697  1
  Fe  Fe348  1  0.547736  0.347561  0.561645  1
  Fe  Fe349  1  0.833628  0.168489  0.582426  1
  Fe  Fe350  1  0.928708  0.359496  0.540764  1
  Fe  Fe351  1  0.881039  0.514177  0.561607  1
  Fe  Fe352  1  0.166979  0.835309  0.582550  1
  Fe  Fe353  1  0.261997  0.025983  0.540680  1
  Fe  Fe354  1  0.214474  0.180655  0.561619  1
  Fe  Fe355  1  0.595286  0.692683  0.540724  1
  Fe  Fe356  1  0.547776  0.847230  0.561586  1
  Fe  Fe357  1  0.833567  0.668678  0.582596  1
  Fe  Fe358  1  0.928677  0.859293  0.540660  1
  Fe  Fe359  1  0.881080  0.013908  0.561597  1
  Fe  Fe360  1  0.214495  0.680643  0.561645  1
  Fe  Fe361  1  0.166478  0.460387  0.655876  1
  Fe  Fe362  1  0.833212  0.293627  0.655663  1
  Fe  Fe363  1  0.928776  0.484123  0.613563  1
  Fe  Fe364  1  0.309883  0.995859  0.592951  1
  Fe  Fe365  1  0.262391  0.150492  0.613954  1
  Fe  Fe366  1  0.215027  0.304766  0.634626  1
  Fe  Fe367  1  0.643259  0.162549  0.592879  1
  Fe  Fe368  1  0.595456  0.317570  0.613674  1
  Fe  Fe369  1  0.547685  0.472009  0.635202  1
  Fe  Fe370  1  0.976568  0.829198  0.592927  1
  Fe  Fe371  1  0.928963  0.983847  0.613979  1
  Fe  Fe372  1  0.881601  0.138084  0.634606  1
  Fe  Fe373  1  0.262717  0.650389  0.613959  1
  Fe  Fe374  1  0.214358  0.805594  0.635008  1
  Fe  Fe375  1  0.642901  0.662719  0.593146  1
  Fe  Fe376  1  0.595905  0.816949  0.613832  1
  Fe  Fe377  1  0.547379  0.971978  0.634875  1
  Fe  Fe378  1  0.880955  0.638894  0.635082  1
  Fe  Fe379  1  0.405486  0.561028  0.624387  1
  Fe  Fe380  1  0.072269  0.394398  0.624193  1
  Fe  Fe381  1  0.023863  0.550102  0.645646  1
  Fe  Fe382  1  0.405369  0.061001  0.624428  1
  Fe  Fe383  1  0.357120  0.215805  0.645289  1
  Fe  Fe384  1  0.452482  0.406912  0.603612  1
  Fe  Fe385  1  0.738876  0.227748  0.624143  1
  Fe  Fe386  1  0.690534  0.383288  0.645536  1
  Fe  Fe387  1  0.785777  0.573617  0.603456  1
  Fe  Fe388  1  0.072057  0.894373  0.624366  1
  Fe  Fe389  1  0.023694  0.049151  0.645252  1
  Fe  Fe390  1  0.119221  0.239876  0.603371  1
  Fe  Fe391  1  0.356871  0.716316  0.645573  1
  Fe  Fe392  1  0.452518  0.906566  0.603271  1
  Fe  Fe393  1  0.738660  0.727557  0.624391  1
  Fe  Fe394  1  0.690254  0.882651  0.645319  1
  Fe  Fe395  1  0.785805  0.073139  0.603389  1
  Fe  Fe396  1  0.119290  0.740081  0.603314  1
  Fe  Fe397  1  0.214365  0.555478  0.635258  1
  Fe  Fe398  1  0.880946  0.388619  0.634995  1
  Fe  Fe399  1  0.976335  0.579528  0.593116  1
  Fe  Fe400  1  0.215062  0.055074  0.634710  1
  Fe  Fe401  1  0.166573  0.209909  0.655548  1
  Fe  Fe402  1  0.262049  0.400885  0.613714  1
  Fe  Fe403  1  0.548245  0.221639  0.634565  1
  Fe  Fe404  1  0.499953  0.376792  0.655774  1
  Fe  Fe405  1  0.595959  0.567050  0.613981  1
  Fe  Fe406  1  0.881791  0.888435  0.634683  1
  Fe  Fe407  1  0.832904  0.043265  0.655656  1
  Fe  Fe408  1  0.928755  0.234039  0.613596  1
  Fe  Fe409  1  0.309621  0.745951  0.593063  1
  Fe  Fe410  1  0.262647  0.900461  0.613862  1
  Fe  Fe411  1  0.547672  0.722295  0.635151  1
  Fe  Fe412  1  0.642968  0.912550  0.592975  1
  Fe  Fe413  1  0.595313  0.067272  0.613487  1
  Fe  Fe414  1  0.929217  0.733799  0.613858  1
  Fe  Fe415  1  0.357065  0.466568  0.645551  1
  Fe  Fe416  1  0.023940  0.299581  0.645325  1
  Fe  Fe417  1  0.119140  0.490319  0.603670  1
  Fe  Fe418  1  0.357119  0.966194  0.645509  1
  Fe  Fe419  1  0.452470  0.156610  0.603282  1
  Fe  Fe420  1  0.405535  0.310990  0.624236  1
  Fe  Fe421  1  0.690709  0.132924  0.645370  1
  Fe  Fe422  1  0.785828  0.323506  0.603497  1
  Fe  Fe423  1  0.738908  0.477769  0.624426  1
  Fe  Fe424  1  0.023781  0.799547  0.645440  1
  Fe  Fe425  1  0.119250  0.989927  0.603244  1
  Fe  Fe426  1  0.072098  0.144187  0.624175  1
  Fe  Fe427  1  0.452559  0.656834  0.603383  1
  Fe  Fe428  1  0.405283  0.810825  0.624313  1
  Fe  Fe429  1  0.690102  0.632853  0.645634  1
  Fe  Fe430  1  0.785888  0.823278  0.603249  1
  Fe  Fe431  1  0.738635  0.977483  0.624159  1
  Fe  Fe432  1  0.072158  0.644429  0.624334  1
  Fe  Fe433  1  0.027574  0.425825  0.714941  1
  Fe  Fe434  1  0.694101  0.258355  0.715269  1
  Fe  Fe435  1  0.787119  0.448553  0.676932  1
  Fe  Fe436  1  0.167178  0.960207  0.654979  1
  Fe  Fe437  1  0.120780  0.113683  0.676028  1
  Fe  Fe438  1  0.073544  0.270192  0.696971  1
  Fe  Fe439  1  0.500347  0.126803  0.655205  1
  Fe  Fe440  1  0.454078  0.280214  0.676092  1
  Fe  Fe441  1  0.406849  0.436709  0.696842  1
  Fe  Fe442  1  0.833850  0.793624  0.654952  1
  Fe  Fe443  1  0.787841  0.947105  0.675985  1
  Fe  Fe444  1  0.740651  0.104051  0.697004  1
  Fe  Fe445  1  0.120411  0.615778  0.676758  1
  Fe  Fe446  1  0.073309  0.768502  0.696295  1
  Fe  Fe447  1  0.500520  0.627009  0.654956  1
  Fe  Fe448  1  0.453432  0.781618  0.676842  1
  Fe  Fe449  1  0.406586  0.935179  0.696363  1
  Fe  Fe450  1  0.740323  0.601983  0.696435  1
  Fe  Fe451  1  0.263699  0.525996  0.687155  1
  Fe  Fe452  1  0.929895  0.359047  0.686972  1
  Fe  Fe453  1  0.885245  0.513895  0.705682  1
  Fe  Fe454  1  0.263552  0.025996  0.686984  1
  Fe  Fe455  1  0.215474  0.179836  0.706078  1
  Fe  Fe456  1  0.310187  0.370846  0.665116  1
  Fe  Fe457  1  0.596351  0.192518  0.686894  1
  Fe  Fe458  1  0.549817  0.345936  0.706432  1
  Fe  Fe459  1  0.644747  0.536543  0.665872  1
  Fe  Fe460  1  0.930523  0.859355  0.686938  1
  Fe  Fe461  1  0.882893  0.013379  0.706074  1
  Fe  Fe462  1  0.976902  0.204214  0.665089  1
  Fe  Fe463  1  0.218119  0.681380  0.705162  1
  Fe  Fe464  1  0.311318  0.870198  0.665673  1
  Fe  Fe465  1  0.597146  0.693128  0.686964  1
  Fe  Fe466  1  0.550891  0.847730  0.705178  1
  Fe  Fe467  1  0.643209  0.037652  0.664901  1
  Fe  Fe468  1  0.977756  0.703622  0.665657  1
  Fe  Fe469  1  0.074144  0.520768  0.696846  1
  Fe  Fe470  1  0.739917  0.353435  0.696900  1
  Fe  Fe471  1  0.834015  0.543731  0.655180  1
  Fe  Fe472  1  0.073200  0.018768  0.696500  1
  Fe  Fe473  1  0.026610  0.175266  0.715241  1
  Fe  Fe474  1  0.121707  0.364023  0.675995  1
  Fe  Fe475  1  0.406106  0.185219  0.696658  1
  Fe  Fe476  1  0.360217  0.341806  0.715238  1
  Fe  Fe477  1  0.453806  0.531874  0.676766  1
  Fe  Fe478  1  0.740188  0.852404  0.696436  1
  Fe  Fe479  1  0.694091  0.009132  0.714975  1
  Fe  Fe480  1  0.788257  0.197603  0.675928  1
  Fe  Fe481  1  0.167320  0.710384  0.654943  1
  Fe  Fe482  1  0.119932  0.864650  0.676743  1
  Fe  Fe483  1  0.407173  0.685617  0.696323  1
  Fe  Fe484  1  0.500409  0.876576  0.654910  1
  Fe  Fe485  1  0.453257  0.031329  0.676956  1
  Fe  Fe486  1  0.786662  0.698053  0.676779  1
  Fe  Fe487  1  0.217038  0.429823  0.706457  1
  Fe  Fe488  1  0.883345  0.263079  0.706446  1
  Fe  Fe489  1  0.976767  0.454268  0.664898  1
  Fe  Fe490  1  0.216988  0.930803  0.705116  1
  Fe  Fe491  1  0.311108  0.120159  0.665981  1
  Fe  Fe492  1  0.263558  0.275113  0.686967  1
  Fe  Fe493  1  0.551179  0.096826  0.705780  1
  Fe  Fe494  1  0.643398  0.287536  0.665115  1
  Fe  Fe495  1  0.596565  0.442294  0.687142  1
  Fe  Fe496  1  0.883609  0.764297  0.705110  1
  Fe  Fe497  1  0.978100  0.953535  0.665978  1
  Fe  Fe498  1  0.930364  0.108654  0.686882  1
  Fe  Fe499  1  0.311616  0.620063  0.665858  1
  Fe  Fe500  1  0.263627  0.776536  0.686910  1
  Fe  Fe501  1  0.550976  0.597981  0.705108  1
  Fe  Fe502  1  0.645061  0.786884  0.665816  1
  Fe  Fe503  1  0.596737  0.942824  0.686696  1
  Fe  Fe504  1  0.930170  0.609855  0.687045  1
