# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.03152995
_cell_length_b   22.85306451
_cell_length_c   46.47767937
_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   13626.9255769
_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  0.884638  0.611593  0.285397  1
  Fe  Fe2  1  0.547590  0.427603  0.281811  1
  Fe  Fe3  1  0.511586  0.601243  0.301340  1
  Fe  Fe4  1  0.854622  0.143749  0.305372  1
  Fe  Fe5  1  0.806310  0.311135  0.328112  1
  Fe  Fe6  1  0.763295  0.477551  0.352335  1
  Fe  Fe7  1  0.178626  0.320740  0.311626  1
  Fe  Fe8  1  0.126989  0.487985  0.333925  1
  Fe  Fe9  1  0.143857  0.589493  0.319615  1
  Fe  Fe10  1  0.531108  0.966209  0.298793  1
  Fe  Fe11  1  0.481323  0.134290  0.321531  1
  Fe  Fe12  1  0.437095  0.299727  0.346219  1
  Fe  Fe13  1  0.834659  0.779341  0.308233  1
  Fe  Fe14  1  0.789881  0.945380  0.333033  1
  Fe  Fe15  1  0.207774  0.788432  0.292083  1
  Fe  Fe16  1  0.157759  0.957124  0.314857  1
  Fe  Fe17  1  0.113180  0.122926  0.339674  1
  Fe  Fe18  1  0.466864  0.767544  0.326254  1
  Fe  Fe19  1  0.988402  0.683432  0.313187  1
  Fe  Fe20  1  0.666774  0.503546  0.305889  1
  Fe  Fe21  1  0.626248  0.671974  0.334043  1
  Fe  Fe22  1  0.958232  0.216223  0.333065  1
  Fe  Fe23  1  0.919354  0.382516  0.360087  1
  Fe  Fe24  1  0.030947  0.524205  0.290235  1
  Fe  Fe25  1  0.283467  0.392609  0.338229  1
  Fe  Fe26  1  0.307253  0.495640  0.328767  1
  Fe  Fe27  1  0.358118  0.697649  0.296336  1
  Fe  Fe28  1  0.634604  0.038813  0.326462  1
  Fe  Fe29  1  0.595679  0.204497  0.354253  1
  Fe  Fe30  1  0.654152  0.402983  0.322834  1
  Fe  Fe31  1  0.949078  0.850210  0.340849  1
  Fe  Fe32  1  0.004596  0.053316  0.309716  1
  Fe  Fe33  1  0.311260  0.861374  0.319760  1
  Fe  Fe34  1  0.272156  0.027875  0.347521  1
  Fe  Fe35  1  0.328418  0.230537  0.316274  1
  Fe  Fe36  1  0.681279  0.875595  0.303106  1
  Fe  Fe37  1  0.805284  0.678773  0.323113  1
  Fe  Fe38  1  0.484246  0.500694  0.316299  1
  Fe  Fe39  1  0.546374  0.699351  0.288729  1
  Fe  Fe40  1  0.775193  0.211266  0.343100  1
  Fe  Fe41  1  0.838069  0.410932  0.313452  1
  Fe  Fe42  1  0.848660  0.513905  0.297964  1
  Fe  Fe43  1  0.100050  0.388239  0.349573  1
  Fe  Fe44  1  0.218030  0.515666  0.284327  1
  Fe  Fe45  1  0.173086  0.690320  0.304804  1
  Fe  Fe46  1  0.451544  0.034067  0.336406  1
  Fe  Fe47  1  0.516796  0.231978  0.308646  1
  Fe  Fe48  1  0.468963  0.398936  0.330510  1
  Fe  Fe49  1  0.869421  0.877388  0.295460  1
  Fe  Fe50  1  0.819507  0.045819  0.318181  1
  Fe  Fe51  1  0.128295  0.856553  0.329645  1
  Fe  Fe52  1  0.192774  0.055084  0.302076  1
  Fe  Fe53  1  0.143219  0.223073  0.324699  1
  Fe  Fe54  1  0.496195  0.868207  0.311545  1
  Fe  Fe55  1  0.964328  0.583396  0.331048  1
  Fe  Fe56  1  0.581858  0.471950  0.361687  1
  Fe  Fe57  1  0.696519  0.608189  0.293007  1
  Fe  Fe58  1  0.933854  0.116562  0.350846  1
  Fe  Fe59  1  0.991083  0.318694  0.319378  1
  Fe  Fe60  1  0.945953  0.481005  0.342519  1
  Fe  Fe61  1  0.257446  0.294071  0.357310  1
  Fe  Fe62  1  0.365053  0.434116  0.288516  1
  Fe  Fe63  1  0.326506  0.594153  0.309485  1
  Fe  Fe64  1  0.610627  0.938955  0.344210  1
  Fe  Fe65  1  0.666557  0.141757  0.313022  1
  Fe  Fe66  1  0.620882  0.302848  0.336624  1
  Fe  Fe67  1  0.019664  0.786742  0.299759  1
  Fe  Fe68  1  0.972857  0.950210  0.323118  1
  Fe  Fe69  1  0.287638  0.761284  0.337420  1
  Fe  Fe70  1  0.342900  0.964536  0.306425  1
  Fe  Fe71  1  0.296268  0.127660  0.329767  1
  Fe  Fe72  1  0.649821  0.772316  0.316458  1
  Fe  Fe73  1  0.783947  0.578194  0.338257  1
  Fe  Fe74  1  0.402160  0.466113  0.371928  1
  Fe  Fe75  1  0.421427  0.567544  0.356292  1
  Fe  Fe76  1  0.752784  0.111513  0.358448  1
  Fe  Fe77  1  0.713375  0.278455  0.383221  1
  Fe  Fe78  1  0.673696  0.445814  0.408022  1
  Fe  Fe79  1  0.076500  0.288943  0.364914  1
  Fe  Fe80  1  0.036653  0.456183  0.389528  1
  Fe  Fe81  1  0.995417  0.623892  0.414897  1
  Fe  Fe82  1  0.429503  0.934094  0.351762  1
  Fe  Fe83  1  0.389313  0.101073  0.376517  1
  Fe  Fe84  1  0.351331  0.267783  0.402154  1
  Fe  Fe85  1  0.743285  0.745752  0.363132  1
  Fe  Fe86  1  0.704620  0.912385  0.388998  1
  Fe  Fe87  1  0.106597  0.756333  0.345028  1
  Fe  Fe88  1  0.066131  0.923556  0.369804  1
  Fe  Fe89  1  0.027769  0.090104  0.395639  1
  Fe  Fe90  1  0.381949  0.734493  0.382118  1
  Fe  Fe91  1  0.900599  0.651729  0.369374  1
  Fe  Fe92  1  0.516341  0.539815  0.402071  1
  Fe  Fe93  1  0.539236  0.639803  0.387361  1
  Fe  Fe94  1  0.869620  0.184892  0.389447  1
  Fe  Fe95  1  0.831298  0.351287  0.414264  1
  Fe  Fe96  1  0.879353  0.550286  0.383654  1
  Fe  Fe97  1  0.193286  0.362804  0.395857  1
  Fe  Fe98  1  0.153846  0.529310  0.420656  1
  Fe  Fe99  1  0.264286  0.661294  0.350363  1
  Fe  Fe100  1  0.546125  0.007173  0.382823  1
  Fe  Fe101  1  0.507638  0.173616  0.407717  1
  Fe  Fe102  1  0.557291  0.372205  0.376919  1
  Fe  Fe103  1  0.861345  0.818246  0.394390  1
  Fe  Fe104  1  0.909904  0.016873  0.363934  1
  Fe  Fe105  1  0.223100  0.829669  0.376009  1
  Fe  Fe106  1  0.184207  0.996035  0.401069  1
  Fe  Fe107  1  0.233276  0.194472  0.370535  1
  Fe  Fe108  1  0.586876  0.839112  0.357235  1
  Fe  Fe109  1  0.720834  0.645386  0.378710  1
  Fe  Fe110  1  0.335006  0.534797  0.411496  1
  Fe  Fe111  1  0.445277  0.667226  0.341546  1
  Fe  Fe112  1  0.689664  0.178740  0.399012  1
  Fe  Fe113  1  0.739208  0.377566  0.368451  1
  Fe  Fe114  1  0.697638  0.545231  0.392841  1
  Fe  Fe115  1  0.012941  0.356593  0.405267  1
  Fe  Fe116  1  0.060864  0.555544  0.374986  1
  Fe  Fe117  1  0.082205  0.656605  0.359761  1
  Fe  Fe118  1  0.366095  1.001254  0.392315  1
  Fe  Fe119  1  0.414431  0.200246  0.361718  1
  Fe  Fe120  1  0.374568  0.367420  0.385982  1
  Fe  Fe121  1  0.768006  0.845294  0.348426  1
  Fe  Fe122  1  0.727727  0.012250  0.373202  1
  Fe  Fe123  1  0.043197  0.823547  0.385593  1
  Fe  Fe124  1  0.091055  0.022986  0.355079  1
  Fe  Fe125  1  0.051154  0.189874  0.379806  1
  Fe  Fe126  1  0.404690  0.834595  0.366414  1
  Fe  Fe127  1  0.814612  0.618381  0.424126  1
  Fe  Fe128  1  0.493059  0.440058  0.417477  1
  Fe  Fe129  1  0.603585  0.571479  0.346756  1
  Fe  Fe130  1  0.845917  0.084776  0.404439  1
  Fe  Fe131  1  0.895528  0.283072  0.373899  1
  Fe  Fe132  1  0.854907  0.451323  0.398996  1
  Fe  Fe133  1  0.169398  0.262627  0.410950  1
  Fe  Fe134  1  0.218967  0.461246  0.380043  1
  Fe  Fe135  1  0.239586  0.563218  0.366204  1
  Fe  Fe136  1  0.522738  0.907013  0.397742  1
  Fe  Fe137  1  0.571607  0.105257  0.367325  1
  Fe  Fe138  1  0.531480  0.273758  0.392599  1
  Fe  Fe139  1  0.925477  0.750309  0.353912  1
  Fe  Fe140  1  0.884555  0.918545  0.379432  1
  Fe  Fe141  1  0.200146  0.729266  0.390923  1
  Fe  Fe142  1  0.248309  0.928099  0.360570  1
  Fe  Fe143  1  0.207703  0.096231  0.386086  1
  Fe  Fe144  1  0.561819  0.740516  0.372588  1
  Fe  Fe145  1  0.633130  0.613070  0.433200  1
  Fe  Fe146  1  0.310989  0.435103  0.426429  1
  Fe  Fe147  1  0.270397  0.602546  0.451676  1
  Fe  Fe148  1  0.664294  0.079443  0.413596  1
  Fe  Fe149  1  0.624805  0.246874  0.438576  1
  Fe  Fe150  1  0.585200  0.413902  0.463423  1
  Fe  Fe151  1  0.987813  0.257251  0.420132  1
  Fe  Fe152  1  0.947923  0.424611  0.445027  1
  Fe  Fe153  1  0.907739  0.591846  0.470013  1
  Fe  Fe154  1  0.341087  0.901795  0.406825  1
  Fe  Fe155  1  0.301398  0.069127  0.432021  1
  Fe  Fe156  1  0.262217  0.236162  0.456992  1
  Fe  Fe157  1  0.655969  0.713208  0.418436  1
  Fe  Fe158  1  0.615945  0.880447  0.443724  1
  Fe  Fe159  1  0.018591  0.723895  0.400101  1
  Fe  Fe160  1  0.978352  0.891349  0.425355  1
  Fe  Fe161  1  0.938926  0.058328  0.450445  1
  Fe  Fe162  1  0.293713  0.702439  0.436830  1
  Fe  Fe163  1  0.749955  0.686263  0.464242  1
  Fe  Fe164  1  0.427922  0.508112  0.457438  1
  Fe  Fe165  1  0.387500  0.675491  0.482617  1
  Fe  Fe166  1  0.782192  0.152411  0.444680  1
  Fe  Fe167  1  0.742191  0.319796  0.469374  1
  Fe  Fe168  1  0.790566  0.518876  0.439025  1
  Fe  Fe169  1  0.105322  0.330348  0.451106  1
  Fe  Fe170  1  0.065064  0.497644  0.475893  1
  Fe  Fe171  1  0.176116  0.629865  0.405984  1
  Fe  Fe172  1  0.458868  0.974680  0.438001  1
  Fe  Fe173  1  0.419047  0.141963  0.462923  1
  Fe  Fe174  1  0.467574  0.341041  0.432476  1
  Fe  Fe175  1  0.773319  0.786171  0.449465  1
  Fe  Fe176  1  0.821057  0.985577  0.419504  1
  Fe  Fe177  1  0.136167  0.796880  0.431226  1
  Fe  Fe178  1  0.095843  0.964202  0.456267  1
  Fe  Fe179  1  0.144352  0.163395  0.426091  1
  Fe  Fe180  1  0.498227  0.807631  0.412665  1
  Fe  Fe181  1  0.568783  0.680824  0.473431  1
  Fe  Fe182  1  0.246534  0.502839  0.466645  1
  Fe  Fe183  1  0.357626  0.634807  0.396589  1
  Fe  Fe184  1  0.600584  0.147211  0.453748  1
  Fe  Fe185  1  0.649337  0.346297  0.423289  1
  Fe  Fe186  1  0.609233  0.513448  0.448182  1
  Fe  Fe187  1  0.923816  0.324999  0.460237  1
  Fe  Fe188  1  0.972174  0.524058  0.429809  1
  Fe  Fe189  1  0.931184  0.691651  0.455107  1
  Fe  Fe190  1  0.277324  0.969450  0.447064  1
  Fe  Fe191  1  0.325934  0.168447  0.416832  1
  Fe  Fe192  1  0.286397  0.335793  0.441810  1
  Fe  Fe193  1  0.679734  0.812867  0.403487  1
  Fe  Fe194  1  0.639861  0.980161  0.428756  1
  Fe  Fe195  1  0.954726  0.791540  0.440332  1
  Fe  Fe196  1  0.002599  0.990716  0.410210  1
  Fe  Fe197  1  0.963160  0.157945  0.435351  1
  Fe  Fe198  1  0.317057  0.802327  0.421889  1
  Fe  Fe199  1  0.726343  0.586523  0.479181  1
  Fe  Fe200  1  0.403664  0.408619  0.472577  1
  Fe  Fe201  1  0.451773  0.607696  0.442371  1
  Fe  Fe202  1  0.757443  0.053025  0.459664  1
  Fe  Fe203  1  0.806207  0.252108  0.429429  1
  Fe  Fe204  1  0.766461  0.419305  0.454136  1
  Fe  Fe205  1  0.080710  0.230881  0.466180  1
  Fe  Fe206  1  0.129304  0.430043  0.435820  1
  Fe  Fe207  1  0.089012  0.597240  0.460812  1
  Fe  Fe208  1  0.434482  0.875136  0.452847  1
  Fe  Fe209  1  0.482663  0.074424  0.422822  1
  Fe  Fe210  1  0.443785  0.241376  0.447885  1
  Fe  Fe211  1  0.837065  0.718757  0.409322  1
  Fe  Fe212  1  0.797441  0.885813  0.434678  1
  Fe  Fe213  1  0.112316  0.697208  0.446057  1
  Fe  Fe214  1  0.159525  0.896743  0.416086  1
  Fe  Fe215  1  0.120435  0.063655  0.441326  1
  Fe  Fe216  1  0.475173  0.707589  0.427685  1
  Fe  Fe217  1  0.545004  0.581127  0.488355  1
  Fe  Fe218  1  0.222280  0.403363  0.481847  1
  Fe  Fe219  1  0.182243  0.570595  0.506785  1
  Fe  Fe220  1  0.576026  0.047757  0.468852  1
  Fe  Fe221  1  0.536542  0.214874  0.493811  1
  Fe  Fe222  1  0.496674  0.382010  0.518597  1
  Fe  Fe223  1  0.899303  0.225512  0.475387  1
  Fe  Fe224  1  0.859394  0.392766  0.500191  1
  Fe  Fe225  1  0.819561  0.559956  0.525159  1
  Fe  Fe226  1  0.253125  0.869902  0.462048  1
  Fe  Fe227  1  0.213342  0.037108  0.487212  1
  Fe  Fe228  1  0.173667  0.204285  0.512164  1
  Fe  Fe229  1  0.504552  0.748555  0.513579  1
  Fe  Fe230  1  0.528023  0.848403  0.498761  1
  Fe  Fe231  1  0.867107  0.759357  0.495308  1
  Fe  Fe232  1  0.890663  0.859206  0.480520  1
  Fe  Fe233  1  0.850526  0.026513  0.505683  1
  Fe  Fe234  1  0.142042  0.737999  0.532034  1
  Fe  Fe235  1  0.662133  0.654211  0.519305  1
  Fe  Fe236  1  0.339428  0.476301  0.512635  1
  Fe  Fe237  1  0.299641  0.643514  0.537764  1
  Fe  Fe238  1  0.693533  0.120684  0.499774  1
  Fe  Fe239  1  0.653769  0.287851  0.524551  1
  Fe  Fe240  1  0.702237  0.486955  0.494232  1
  Fe  Fe241  1  0.016615  0.298535  0.506213  1
  Fe  Fe242  1  0.976788  0.465753  0.531096  1
  Fe  Fe243  1  0.024801  0.664985  0.501017  1
  Fe  Fe244  1  0.370513  0.942812  0.493024  1
  Fe  Fe245  1  0.330614  0.110070  0.518082  1
  Fe  Fe246  1  0.379417  0.309122  0.487825  1
  Fe  Fe247  1  0.621824  0.821573  0.544609  1
  Fe  Fe248  1  0.733181  0.953529  0.474728  1
  Fe  Fe249  1  0.048318  0.764834  0.486210  1
  Fe  Fe250  1  0.007765  0.932306  0.511478  1
  Fe  Fe251  1  0.056258  0.131362  0.481310  1
  Fe  Fe252  1  0.410780  0.775403  0.467756  1
  Fe  Fe253  1  0.480937  0.648788  0.528520  1
  Fe  Fe254  1  0.158162  0.471008  0.521898  1
  Fe  Fe255  1  0.206151  0.670274  0.491861  1
  Fe  Fe256  1  0.512085  0.115388  0.508968  1
  Fe  Fe257  1  0.560719  0.314439  0.478550  1
  Fe  Fe258  1  0.520843  0.481599  0.503452  1
  Fe  Fe259  1  0.835194  0.293176  0.515364  1
  Fe  Fe260  1  0.883646  0.492293  0.485065  1
  Fe  Fe261  1  0.843463  0.659603  0.510156  1
  Fe  Fe262  1  0.189111  0.937575  0.502238  1
  Fe  Fe263  1  0.237612  0.136690  0.472090  1
  Fe  Fe264  1  0.198117  0.303806  0.497072  1
  Fe  Fe265  1  0.592027  0.780751  0.458585  1
  Fe  Fe266  1  0.551914  0.948112  0.483877  1
  Fe  Fe267  1  0.803041  0.827033  0.535487  1
  Fe  Fe268  1  0.914489  0.958882  0.465507  1
  Fe  Fe269  1  0.874982  0.125959  0.490569  1
  Fe  Fe270  1  0.229594  0.770123  0.477013  1
  Fe  Fe271  1  0.638246  0.554558  0.534355  1
  Fe  Fe272  1  0.315356  0.376724  0.527858  1
  Fe  Fe273  1  0.363664  0.575838  0.497598  1
  Fe  Fe274  1  0.669135  0.021198  0.514887  1
  Fe  Fe275  1  0.717862  0.220231  0.484568  1
  Fe  Fe276  1  0.677955  0.387442  0.509365  1
  Fe  Fe277  1  0.992249  0.198963  0.521359  1
  Fe  Fe278  1  0.040873  0.398094  0.491066  1
  Fe  Fe279  1  1.000827  0.565355  0.515968  1
  Fe  Fe280  1  0.346696  0.843116  0.507942  1
  Fe  Fe281  1  0.394636  0.042442  0.477994  1
  Fe  Fe282  1  0.355128  0.209597  0.503026  1
  Fe  Fe283  1  0.685843  0.753947  0.504436  1
  Fe  Fe284  1  0.709359  0.853789  0.489637  1
  Fe  Fe285  1  0.960772  0.732680  0.541206  1
  Fe  Fe286  1  0.071839  0.864626  0.471286  1
  Fe  Fe287  1  0.031932  0.031829  0.496439  1
  Fe  Fe288  1  0.323255  0.743257  0.522768  1
  Fe  Fe289  1  0.456898  0.549230  0.543578  1
  Fe  Fe290  1  0.133969  0.371482  0.537089  1
  Fe  Fe291  1  0.093891  0.538818  0.561864  1
  Fe  Fe292  1  0.487694  0.015802  0.523966  1
  Fe  Fe293  1  0.447984  0.183036  0.549090  1
  Fe  Fe294  1  0.408667  0.350004  0.573862  1
  Fe  Fe295  1  0.810814  0.193626  0.530572  1
  Fe  Fe296  1  0.770746  0.361004  0.555239  1
  Fe  Fe297  1  0.731700  0.527937  0.580364  1
  Fe  Fe298  1  0.165374  0.837882  0.517162  1
  Fe  Fe299  1  0.124876  0.005306  0.542442  1
  Fe  Fe300  1  0.085166  0.172346  0.567350  1
  Fe  Fe301  1  0.416617  0.716508  0.568563  1
  Fe  Fe302  1  0.376674  0.883589  0.593891  1
  Fe  Fe303  1  0.779480  0.727259  0.550345  1
  Fe  Fe304  1  0.738574  0.894783  0.575529  1
  Fe  Fe305  1  0.762160  0.994700  0.560936  1
  Fe  Fe306  1  0.054472  0.705856  0.587150  1
  Fe  Fe307  1  0.574375  0.622097  0.574468  1
  Fe  Fe308  1  0.251461  0.444322  0.567883  1
  Fe  Fe309  1  0.211650  0.611681  0.592999  1
  Fe  Fe310  1  0.604948  0.088873  0.555057  1
  Fe  Fe311  1  0.565477  0.255925  0.579954  1
  Fe  Fe312  1  0.613891  0.455065  0.549443  1
  Fe  Fe313  1  0.928233  0.266568  0.561344  1
  Fe  Fe314  1  0.888572  0.434115  0.586315  1
  Fe  Fe315  1  0.936776  0.633070  0.556117  1
  Fe  Fe316  1  0.282491  0.910838  0.548151  1
  Fe  Fe317  1  0.241804  0.078253  0.573339  1
  Fe  Fe318  1  0.291073  0.277244  0.543104  1
  Fe  Fe319  1  0.534207  0.789397  0.599709  1
  Fe  Fe320  1  0.645106  0.921502  0.529763  1
  Fe  Fe321  1  0.896774  0.800263  0.581371  1
  Fe  Fe322  1  0.919862  0.900319  0.566589  1
  Fe  Fe323  1  0.967718  0.099513  0.536545  1
  Fe  Fe324  1  0.259124  0.810938  0.562946  1
  Fe  Fe325  1  0.393212  0.616692  0.583733  1
  Fe  Fe326  1  0.070224  0.439096  0.577116  1
  Fe  Fe327  1  0.118260  0.638312  0.546963  1
  Fe  Fe328  1  0.423442  0.083424  0.564069  1
  Fe  Fe329  1  0.472485  0.282465  0.533848  1
  Fe  Fe330  1  0.432381  0.449761  0.558538  1
  Fe  Fe331  1  0.746857  0.261272  0.570531  1
  Fe  Fe332  1  0.795364  0.460443  0.540251  1
  Fe  Fe333  1  0.755287  0.627694  0.565176  1
  Fe  Fe334  1  0.101157  0.905650  0.557394  1
  Fe  Fe335  1  0.149187  0.104764  0.527286  1
  Fe  Fe336  1  0.109458  0.272015  0.552160  1
  Fe  Fe337  1  0.440544  0.816184  0.553753  1
  Fe  Fe338  1  0.463835  0.916099  0.538945  1
  Fe  Fe339  1  0.715674  0.794710  0.590524  1
  Fe  Fe340  1  0.826441  0.926943  0.520683  1
  Fe  Fe341  1  0.786347  0.094203  0.545840  1
  Fe  Fe342  1  0.077623  0.805812  0.572100  1
  Fe  Fe343  1  0.550170  0.522738  0.589628  1
  Fe  Fe344  1  0.227156  0.344989  0.583182  1
  Fe  Fe345  1  0.275426  0.543985  0.552772  1
  Fe  Fe346  1  0.580655  0.989212  0.569939  1
  Fe  Fe347  1  0.629292  0.188378  0.539796  1
  Fe  Fe348  1  0.589825  0.355353  0.564576  1
  Fe  Fe349  1  0.903492  0.167161  0.576677  1
  Fe  Fe350  1  0.952389  0.366262  0.546218  1
  Fe  Fe351  1  0.912895  0.533400  0.571136  1
  Fe  Fe352  1  0.195145  0.878544  0.603163  1
  Fe  Fe353  1  0.306224  0.010541  0.533152  1
  Fe  Fe354  1  0.266537  0.177680  0.558148  1
  Fe  Fe355  1  0.598078  0.721846  0.559475  1
  Fe  Fe356  1  0.557775  0.889079  0.584736  1
  Fe  Fe357  1  0.872931  0.700721  0.596372  1
  Fe  Fe358  1  0.984119  0.832570  0.526354  1
  Fe  Fe359  1  0.943533  1.000013  0.551699  1
  Fe  Fe360  1  0.235687  0.711098  0.577908  1
  Fe  Fe361  1  0.368597  0.517419  0.598774  1
  Fe  Fe362  1  0.045428  0.339884  0.592249  1
  Fe  Fe363  1  0.006734  0.506449  0.617059  1
  Fe  Fe364  1  0.398975  0.983975  0.579045  1
  Fe  Fe365  1  0.359273  0.150865  0.604084  1
  Fe  Fe366  1  0.319897  0.319012  0.629504  1
  Fe  Fe367  1  0.721503  0.162158  0.585814  1
  Fe  Fe368  1  0.683302  0.328465  0.610494  1
  Fe  Fe369  1  0.642948  0.496881  0.635887  1
  Fe  Fe370  1  0.013478  0.873539  0.612432  1
  Fe  Fe371  1  0.036785  0.973397  0.597681  1
  Fe  Fe372  1  0.995516  0.141168  0.623046  1
  Fe  Fe373  1  0.329583  0.683749  0.623796  1
  Fe  Fe374  1  0.288319  0.851935  0.649311  1
  Fe  Fe375  1  0.691347  0.695302  0.605456  1
  Fe  Fe376  1  0.651973  0.861741  0.630577  1
  Fe  Fe377  1  0.609499  0.030354  0.656037  1
  Fe  Fe378  1  0.965761  0.674434  0.642622  1
  Fe  Fe379  1  0.486633  0.589926  0.630016  1
  Fe  Fe380  1  0.163706  0.412496  0.623415  1
  Fe  Fe381  1  0.123248  0.579443  0.648097  1
  Fe  Fe382  1  0.515866  0.057002  0.610162  1
  Fe  Fe383  1  0.477099  0.224135  0.635418  1
  Fe  Fe384  1  0.525082  0.423316  0.604214  1
  Fe  Fe385  1  0.839733  0.235075  0.616723  1
  Fe  Fe386  1  0.800309  0.402307  0.641399  1
  Fe  Fe387  1  0.848128  0.601245  0.610864  1
  Fe  Fe388  1  0.131375  0.945665  0.643433  1
  Fe  Fe389  1  0.151857  0.046943  0.628325  1
  Fe  Fe390  1  0.202185  0.245600  0.597985  1
  Fe  Fe391  1  0.445981  0.756927  0.654792  1
  Fe  Fe392  1  0.492658  0.956845  0.624428  1
  Fe  Fe393  1  0.809194  0.767897  0.636785  1
  Fe  Fe394  1  0.768125  0.935462  0.661671  1
  Fe  Fe395  1  0.879038  0.067712  0.591917  1
  Fe  Fe396  1  0.170703  0.778909  0.617674  1
  Fe  Fe397  1  0.304449  0.585375  0.639260  1
  Fe  Fe398  1  0.981460  0.408420  0.632574  1
  Fe  Fe399  1  0.030004  0.606543  0.602107  1
  Fe  Fe400  1  0.333861  0.052016  0.619518  1
  Fe  Fe401  1  0.384039  0.250793  0.589226  1
  Fe  Fe402  1  0.345233  0.417238  0.613814  1
  Fe  Fe403  1  0.657770  0.229947  0.626276  1
  Fe  Fe404  1  0.706936  0.428697  0.595441  1
  Fe  Fe405  1  0.668185  0.595084  0.620392  1
  Fe  Fe406  1  0.949038  0.941776  0.653040  1
  Fe  Fe407  1  0.060053  0.073234  0.582564  1
  Fe  Fe408  1  0.021636  0.239687  0.607262  1
  Fe  Fe409  1  0.352606  0.784065  0.608841  1
  Fe  Fe410  1  0.312886  0.950574  0.633831  1
  Fe  Fe411  1  0.627079  0.763167  0.645966  1
  Fe  Fe412  1  0.674335  0.962412  0.615763  1
  Fe  Fe413  1  0.697619  0.062491  0.601240  1
  Fe  Fe414  1  0.990740  0.772965  0.627246  1
  Fe  Fe415  1  0.461833  0.490563  0.644761  1
  Fe  Fe416  1  0.138866  0.313354  0.638264  1
  Fe  Fe417  1  0.186745  0.512267  0.607555  1
  Fe  Fe418  1  0.428917  0.023838  0.664895  1
  Fe  Fe419  1  0.540530  0.156555  0.595208  1
  Fe  Fe420  1  0.501816  0.323432  0.620132  1
  Fe  Fe421  1  0.812807  0.136063  0.631563  1
  Fe  Fe422  1  0.863283  0.334805  0.600887  1
  Fe  Fe423  1  0.825142  0.501451  0.626654  1
  Fe  Fe424  1  0.107117  0.846084  0.658258  1
  Fe  Fe425  1  0.217945  0.978598  0.588380  1
  Fe  Fe426  1  0.177678  0.146002  0.613600  1
  Fe  Fe427  1  0.509517  0.689855  0.614222  1
  Fe  Fe428  1  0.470523  0.856451  0.640051  1
  Fe  Fe429  1  0.784614  0.668325  0.651438  1
  Fe  Fe430  1  0.831736  0.868128  0.621132  1
  Fe  Fe431  1  0.855588  0.968137  0.606952  1
  Fe  Fe432  1  0.147964  0.678880  0.633408  1
  Fe  Fe433  1  0.280746  0.485655  0.652351  1
  Fe  Fe434  1  0.957698  0.309219  0.645580  1
  Fe  Fe435  1  0.918249  0.474847  0.673419  1
  Fe  Fe436  1  0.248712  0.018848  0.672159  1
  Fe  Fe437  1  0.266842  0.121275  0.660688  1
  Fe  Fe438  1  0.224511  0.283380  0.683776  1
  Fe  Fe439  1  0.631865  0.130421  0.641478  1
  Fe  Fe440  1  0.595007  0.298533  0.666723  1
  Fe  Fe441  1  0.548232  0.460317  0.690156  1
  Fe  Fe442  1  0.925996  0.841475  0.665822  1
  Fe  Fe443  1  0.886311  0.009454  0.693981  1
  Fe  Fe444  1  0.902668  0.110332  0.676569  1
  Fe  Fe445  1  0.241335  0.652038  0.680073  1
  Fe  Fe446  1  0.194043  0.815404  0.703493  1
  Fe  Fe447  1  0.603562  0.663290  0.659001  1
  Fe  Fe448  1  0.563982  0.829892  0.686755  1
  Fe  Fe449  1  0.516027  0.992861  0.710213  1
  Fe  Fe450  1  0.871290  0.637922  0.696768  1
  Fe  Fe451  1  0.394950  0.556359  0.684995  1
  Fe  Fe452  1  0.071723  0.379376  0.678399  1
  Fe  Fe453  1  0.021561  0.547318  0.701096  1
  Fe  Fe454  1  0.362030  0.088142  0.705277  1
  Fe  Fe455  1  0.378628  0.190740  0.689712  1
  Fe  Fe456  1  0.439882  0.390688  0.660192  1
  Fe  Fe457  1  0.749168  0.203432  0.671874  1
  Fe  Fe458  1  0.698410  0.370091  0.694499  1
  Fe  Fe459  1  0.762811  0.568289  0.666807  1
  Fe  Fe460  1  0.040375  0.912024  0.698513  1
  Fe  Fe461  1  0.997845  0.081309  0.718940  1
  Fe  Fe462  1  0.116197  0.213850  0.653533  1
  Fe  Fe463  1  0.344592  0.724739  0.707759  1
  Fe  Fe464  1  0.408134  0.923279  0.680046  1
  Fe  Fe465  1  0.717785  0.734193  0.691655  1
  Fe  Fe466  1  0.667474  0.903106  0.714451  1
  Fe  Fe467  1  0.791085  0.035762  0.647493  1
  Fe  Fe468  1  0.085603  0.745866  0.673582  1
  Fe  Fe469  1  0.209807  0.548934  0.693445  1
  Fe  Fe470  1  0.886537  0.371905  0.686831  1
  Fe  Fe471  1  0.942115  0.574639  0.655663  1
  Fe  Fe472  1  0.180939  0.077337  0.713178  1
  Fe  Fe473  1  0.296444  0.219482  0.643148  1
  Fe  Fe474  1  0.256788  0.385974  0.670188  1
  Fe  Fe475  1  0.564713  0.197669  0.681439  1
  Fe  Fe476  1  0.619231  0.397421  0.648956  1
  Fe  Fe477  1  0.579837  0.563366  0.676738  1
  Fe  Fe478  1  0.855355  0.905358  0.706856  1
  Fe  Fe479  1  0.972028  0.041057  0.637974  1
  Fe  Fe480  1  0.933186  0.210982  0.663194  1
  Fe  Fe481  1  0.264893  0.752051  0.662387  1
  Fe  Fe482  1  0.225060  0.918679  0.690022  1
  Fe  Fe483  1  0.532751  0.726606  0.700106  1
  Fe  Fe484  1  0.587278  0.930088  0.669093  1
  Fe  Fe485  1  0.542040  0.096036  0.696189  1
  Fe  Fe486  1  0.902627  0.741165  0.683420  1
  Fe  Fe487  1  0.360097  0.458426  0.697813  1
  Fe  Fe488  1  0.036492  0.281595  0.691209  1
  Fe  Fe489  1  0.101331  0.479540  0.663484  1
  Fe  Fe490  1  0.327933  0.990061  0.717836  1
  Fe  Fe491  1  0.449822  0.124480  0.650507  1
  Fe  Fe492  1  0.409699  0.290668  0.675367  1
  Fe  Fe493  1  0.723396  0.103259  0.687246  1
  Fe  Fe494  1  0.778258  0.302805  0.656717  1
  Fe  Fe495  1  0.733322  0.467958  0.681670  1
  Fe  Fe496  1  0.005690  0.813965  0.711129  1
  Fe  Fe497  1  0.069576  0.012246  0.683345  1
  Fe  Fe498  1  0.084867  0.114381  0.669571  1
  Fe  Fe499  1  0.424333  0.656824  0.670175  1
  Fe  Fe500  1  0.379113  0.822795  0.694996  1
  Fe  Fe501  1  0.683148  0.636127  0.704414  1
  Fe  Fe502  1  0.746902  0.834948  0.676934  1
  Fe  Fe503  1  0.700794  1.001594  0.701726  1
  Fe  Fe504  1  0.056399  0.645282  0.688321  1
