# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.26921467
_cell_length_b   14.31441846
_cell_length_c   47.56634301
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.99723951
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al198 Fe198'
_cell_volume   12120.2744192
_cell_formula_units_Z   198
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
  Al  Al1  1  0.078382  0.924645  0.272710  1
  Al  Al2  1  0.688229  0.741489  0.269947  1
  Al  Al3  1  0.832339  0.650740  0.282298  1
  Al  Al4  1  0.963737  0.514120  0.292743  1
  Al  Al5  1  0.934827  0.942430  0.260973  1
  Al  Al6  1  0.118898  0.402481  0.299500  1
  Al  Al7  1  0.223802  0.918123  0.283607  1
  Al  Al8  1  0.507993  0.449182  0.294212  1
  Al  Al9  1  0.575192  0.903333  0.271764  1
  Al  Al10  1  0.645606  0.350874  0.295731  1
  Al  Al11  1  0.826651  0.099392  0.277932  1
  Al  Al12  1  0.832488  0.470417  0.276049  1
  Al  Al13  1  0.970678  0.084621  0.290341  1
  Al  Al14  1  0.111503  1.069453  0.302738  1
  Al  Al15  1  0.318330  0.115680  0.281322  1
  Al  Al16  1  0.391113  0.593433  0.293390  1
  Al  Al17  1  0.464581  1.068065  0.290115  1
  Al  Al18  1  0.676222  0.171043  0.273600  1
  Al  Al19  1  0.081602  0.752661  0.303507  1
  Al  Al20  1  0.580493  0.734231  0.306215  1
  Al  Al21  1  0.725453  0.715198  0.321542  1
  Al  Al22  1  0.910320  0.374518  0.322978  1
  Al  Al23  1  0.936769  0.762233  0.291939  1
  Al  Al24  1  0.045781  0.353687  0.339898  1
  Al  Al25  1  0.227006  0.727383  0.315491  1
  Al  Al26  1  0.406358  0.376421  0.323745  1
  Al  Al27  1  0.431002  0.761666  0.295983  1
  Al  Al28  1  0.546566  0.348378  0.339116  1
  Al  Al29  1  0.741686  1.049326  0.316827  1
  Al  Al30  1  0.767757  0.391541  0.314193  1
  Al  Al31  1  0.882251  1.037083  0.328592  1
  Al  Al32  1  0.024278  1.021801  0.341460  1
  Al  Al33  1  0.245627  1.052030  0.319571  1
  Al  Al34  1  0.262559  0.391275  0.314085  1
  Al  Al35  1  0.383256  1.035828  0.332344  1
  Al  Al36  1  0.603164  1.059435  0.303025  1
  Al  Al37  1  1.003709  0.679494  0.341695  1
  Al  Al38  1  0.497426  0.678009  0.344724  1
  Al  Al39  1  0.638118  0.657539  0.357160  1
  Al  Al40  1  0.824973  0.313202  0.362734  1
  Al  Al41  1  0.865306  0.695329  0.333077  1
  Al  Al42  1  0.962883  0.295147  0.376080  1
  Al  Al43  1  0.143335  0.661773  0.354047  1
  Al  Al44  1  0.324130  0.316414  0.363843  1
  Al  Al45  1  0.357377  0.701785  0.337029  1
  Al  Al46  1  0.461578  0.294254  0.375859  1
  Al  Al47  1  0.661140  0.997583  0.355579  1
  Al  Al48  1  0.685698  0.332676  0.351336  1
  Al  Al49  1  0.802160  0.977686  0.367278  1
  Al  Al50  1  0.941832  0.961432  0.378616  1
  Al  Al51  1  0.162321  1.000302  0.356588  1
  Al  Al52  1  0.184030  0.332823  0.352489  1
  Al  Al53  1  0.300860  0.980687  0.370471  1
  Al  Al54  1  0.522557  1.011537  0.343358  1
  Al  Al55  1  0.916611  0.626179  0.384052  1
  Al  Al56  1  0.414613  0.622044  0.385756  1
  Al  Al57  1  0.555361  0.599871  0.395328  1
  Al  Al58  1  0.741289  0.256653  0.401871  1
  Al  Al59  1  0.778408  0.638638  0.370362  1
  Al  Al60  1  0.880580  0.237802  0.414022  1
  Al  Al61  1  0.057126  0.603608  0.393131  1
  Al  Al62  1  0.240623  0.257068  0.402735  1
  Al  Al63  1  0.275812  0.643793  0.372962  1
  Al  Al64  1  0.378934  0.240710  0.415070  1
  Al  Al65  1  0.579340  0.938544  0.393507  1
  Al  Al66  1  0.603495  0.272552  0.388253  1
  Al  Al67  1  0.718332  0.922522  0.405902  1
  Al  Al68  1  0.859481  0.899693  0.415770  1
  Al  Al69  1  0.079010  0.942333  0.393050  1
  Al  Al70  1  0.101148  0.274828  0.390548  1
  Al  Al71  1  0.216807  0.922833  0.407174  1
  Al  Al72  1  0.440380  0.957264  0.382231  1
  Al  Al73  1  0.834475  0.563072  0.420894  1
  Al  Al74  1  0.329379  0.562026  0.424443  1
  Al  Al75  1  0.469942  0.541562  0.434367  1
  Al  Al76  1  0.655158  0.198529  0.441093  1
  Al  Al77  1  0.695147  0.581933  0.408204  1
  Al  Al78  1  0.794668  0.177839  0.450921  1
  Al  Al79  1  0.974206  0.546690  0.432965  1
  Al  Al80  1  0.159135  0.201349  0.442217  1
  Al  Al81  1  0.192762  0.585526  0.408621  1
  Al  Al82  1  0.299643  0.182644  0.453999  1
  Al  Al83  1  0.497616  0.882802  0.432379  1
  Al  Al84  1  0.518540  0.222346  0.426041  1
  Al  Al85  1  0.635760  0.859451  0.442527  1
  Al  Al86  1  0.774560  0.843923  0.454229  1
  Al  Al87  1  0.994830  0.884809  0.429710  1
  Al  Al88  1  0.017774  0.221054  0.429230  1
  Al  Al89  1  0.130222  0.866575  0.443877  1
  Al  Al90  1  0.357070  0.907399  0.421183  1
  Al  Al91  1  0.748676  0.510382  0.460093  1
  Al  Al92  1  0.196702  0.608300  0.495966  1
  Al  Al93  1  0.337482  0.593409  0.509419  1
  Al  Al94  1  0.522849  0.251045  0.511287  1
  Al  Al95  1  0.610333  0.522222  0.445371  1
  Al  Al96  1  0.668266  0.233504  0.525789  1
  Al  Al97  1  0.827387  0.594887  0.507594  1
  Al  Al98  1  0.071273  0.149975  0.480456  1
  Al  Al99  1  0.114626  0.526738  0.446326  1
  Al  Al100  1  0.152101  0.228491  0.525567  1
  Al  Al101  1  0.413493  0.831803  0.470670  1
  Al  Al102  1  0.442036  0.171755  0.465403  1
  Al  Al103  1  0.493513  0.909716  0.515424  1
  Al  Al104  1  0.638186  0.902019  0.528551  1
  Al  Al105  1  0.915695  0.829291  0.468889  1
  Al  Al106  1  0.927962  0.171618  0.468294  1
  Al  Al107  1  0.995052  0.903686  0.515785  1
  Al  Al108  1  0.270920  0.847072  0.456218  1
  Al  Al109  1  0.615414  0.562542  0.533282  1
  Al  Al110  1  0.108955  0.555795  0.533778  1
  Al  Al111  1  0.248510  0.538861  0.546819  1
  Al  Al112  1  0.435366  0.197393  0.550191  1
  Al  Al113  1  0.476468  0.574265  0.522400  1
  Al  Al114  1  0.578341  0.174924  0.560529  1
  Al  Al115  1  0.752288  0.538607  0.546478  1
  Al  Al116  1  0.975287  0.255260  0.520845  1
  Al  Al117  1  0.970419  0.577047  0.521182  1
  Al  Al118  1  0.063826  0.176963  0.563081  1
  Al  Al119  1  0.273478  0.877422  0.543282  1
  Al  Al120  1  0.293976  0.219099  0.540269  1
  Al  Al121  1  0.411383  0.857714  0.554385  1
  Al  Al122  1  0.551465  0.840541  0.566099  1
  Al  Al123  1  0.778716  0.880059  0.541771  1
  Al  Al124  1  0.822034  0.212896  0.535610  1
  Al  Al125  1  0.915274  0.852886  0.555756  1
  Al  Al126  1  0.134703  0.889386  0.531589  1
  Al  Al127  1  0.529870  0.502069  0.570797  1
  Al  Al128  1  0.027578  0.500202  0.571960  1
  Al  Al129  1  0.165968  0.482288  0.585055  1
  Al  Al130  1  0.349995  0.141362  0.588732  1
  Al  Al131  1  0.388729  0.520422  0.559424  1
  Al  Al132  1  0.491732  0.121103  0.598744  1
  Al  Al133  1  0.667837  0.487076  0.584446  1
  Al  Al134  1  0.857891  0.141796  0.586601  1
  Al  Al135  1  0.888878  0.524441  0.559946  1
  Al  Al136  1  0.993107  0.116903  0.602557  1
  Al  Al137  1  0.190325  0.815436  0.581340  1
  Al  Al138  1  0.208450  0.155191  0.575725  1
  Al  Al139  1  0.328587  0.802112  0.593499  1
  Al  Al140  1  0.468175  0.786567  0.604629  1
  Al  Al141  1  0.690560  0.824358  0.578437  1
  Al  Al142  1  0.717226  0.164785  0.576677  1
  Al  Al143  1  0.828697  0.805306  0.593053  1
  Al  Al144  1  0.052554  0.832341  0.568703  1
  Al  Al145  1  0.445734  0.446505  0.608355  1
  Al  Al146  1  0.942551  0.447865  0.610858  1
  Al  Al147  1  0.082935  0.423569  0.622209  1
  Al  Al148  1  0.268834  0.082204  0.626623  1
  Al  Al149  1  0.304972  0.464724  0.597613  1
  Al  Al150  1  0.407143  1.064369  0.637569  1
  Al  Al151  1  0.584449  0.427611  0.620515  1
  Al  Al152  1  0.771871  0.083952  0.626026  1
  Al  Al153  1  0.805901  0.470096  0.598357  1
  Al  Al154  1  0.909053  1.064360  0.638675  1
  Al  Al155  1  0.106990  0.758514  0.620458  1
  Al  Al156  1  0.129578  0.097745  0.614700  1
  Al  Al157  1  0.246133  0.742588  0.632069  1
  Al  Al158  1  0.387262  0.728023  0.642867  1
  Al  Al159  1  0.607338  0.769310  0.617796  1
  Al  Al160  1  0.629519  0.108205  0.613065  1
  Al  Al161  1  0.743997  0.752435  0.630134  1
  Al  Al162  1  0.969437  0.780209  0.606509  1
  Al  Al163  1  0.365370  0.389802  0.646971  1
  Al  Al164  1  0.858029  0.396855  0.650756  1
  Al  Al165  1  1.000093  0.365435  0.659214  1
  Al  Al166  1  0.186953  1.027158  0.663754  1
  Al  Al167  1  0.222414  0.407675  0.636042  1
  Al  Al168  1  0.327258  1.011918  0.678708  1
  Al  Al169  1  0.506165  0.368778  0.657889  1
  Al  Al170  1  0.685022  1.039978  0.663580  1
  Al  Al171  1  0.721640  0.409438  0.634939  1
  Al  Al172  1  0.830054  1.010804  0.678585  1
  Al  Al173  1  0.021243  0.703578  0.659382  1
  Al  Al174  1  0.046931  1.037840  0.654190  1
  Al  Al175  1  0.162408  0.683667  0.672033  1
  Al  Al176  1  0.300142  0.690503  0.683372  1
  Al  Al177  1  0.526085  0.713196  0.655955  1
  Al  Al178  1  0.546513  1.043952  0.648390  1
  Al  Al179  1  0.666046  0.693182  0.668970  1
  Al  Al180  1  0.882003  0.729240  0.642915  1
  Al  Al181  1  0.283222  0.332811  0.685135  1
  Al  Al182  1  0.771255  0.322913  0.684493  1
  Al  Al183  1  0.921534  0.295874  0.696357  1
  Al  Al184  1  0.088199  0.098736  0.702885  1
  Al  Al185  1  0.139086  0.347892  0.673183  1
  Al  Al186  1  0.189788  0.912183  0.704821  1
  Al  Al187  1  0.433137  0.288940  0.693430  1
  Al  Al188  1  0.584626  1.006261  0.699620  1
  Al  Al189  1  0.628500  0.405316  0.678009  1
  Al  Al190  1  0.729177  0.917438  0.705427  1
  Al  Al191  1  0.922531  0.646619  0.691750  1
  Al  Al192  1  0.937523  0.110923  0.690541  1
  Al  Al193  1  0.033001  0.495172  0.693384  1
  Al  Al194  1  0.176319  0.490409  0.702577  1
  Al  Al195  1  0.446362  0.654103  0.693373  1
  Al  Al196  1  0.444545  0.107606  0.687545  1
  Al  Al197  1  0.595739  0.585317  0.700107  1
  Al  Al198  1  0.785899  0.738959  0.687127  1
  Fe  Fe199  1  0.096367  0.505270  0.346602  1
  Fe  Fe200  1  0.684191  0.562393  0.310212  1
  Fe  Fe201  1  0.820572  0.542108  0.325339  1
  Fe  Fe202  1  0.019408  0.237520  0.303344  1
  Fe  Fe203  1  0.956198  0.524350  0.342643  1
  Fe  Fe204  1  0.157302  0.222811  0.314456  1
  Fe  Fe205  1  0.305145  0.546601  0.328510  1
  Fe  Fe206  1  0.521615  0.236129  0.300858  1
  Fe  Fe207  1  0.450984  0.525141  0.340171  1
  Fe  Fe208  1  0.648364  0.204765  0.322937  1
  Fe  Fe209  1  0.841419  0.919372  0.295991  1
  Fe  Fe210  1  0.786703  0.206449  0.323114  1
  Fe  Fe211  1  0.985919  0.907199  0.309489  1
  Fe  Fe212  1  0.132395  0.891628  0.321018  1
  Fe  Fe213  1  0.356223  0.934157  0.294087  1
  Fe  Fe214  1  0.292331  0.206181  0.327800  1
  Fe  Fe215  1  0.488185  0.897869  0.310608  1
  Fe  Fe216  1  0.632105  0.880150  0.319749  1
  Fe  Fe217  1  1.010707  0.448853  0.386466  1
  Fe  Fe218  1  0.592729  0.503142  0.344899  1
  Fe  Fe219  1  0.730880  0.487153  0.360614  1
  Fe  Fe220  1  0.930939  0.188651  0.337041  1
  Fe  Fe221  1  0.869530  0.466691  0.373427  1
  Fe  Fe222  1  0.073850  0.170121  0.350468  1
  Fe  Fe223  1  0.229042  0.486601  0.362894  1
  Fe  Fe224  1  0.432259  0.188084  0.335749  1
  Fe  Fe225  1  0.367735  0.470013  0.373829  1
  Fe  Fe226  1  0.564179  0.162118  0.352954  1
  Fe  Fe227  1  0.767284  0.866228  0.331969  1
  Fe  Fe228  1  0.714278  0.145819  0.364645  1
  Fe  Fe229  1  0.906138  0.849605  0.342201  1
  Fe  Fe230  1  0.049014  0.833554  0.353933  1
  Fe  Fe231  1  0.273695  0.873012  0.332123  1
  Fe  Fe232  1  0.210450  0.151349  0.364559  1
  Fe  Fe233  1  0.406435  0.851185  0.344845  1
  Fe  Fe234  1  0.547427  0.827908  0.355562  1
  Fe  Fe235  1  0.926860  0.392435  0.421632  1
  Fe  Fe236  1  0.510444  0.447769  0.385069  1
  Fe  Fe237  1  0.648453  0.430033  0.396634  1
  Fe  Fe238  1  0.851037  0.132650  0.374485  1
  Fe  Fe239  1  0.787015  0.411461  0.409670  1
  Fe  Fe240  1  0.990750  0.115543  0.387922  1
  Fe  Fe241  1  0.146272  0.431186  0.398032  1
  Fe  Fe242  1  0.348723  0.134981  0.376301  1
  Fe  Fe243  1  0.284397  0.412463  0.409272  1
  Fe  Fe244  1  0.484816  0.112044  0.388620  1
  Fe  Fe245  1  0.684559  0.812013  0.367803  1
  Fe  Fe246  1  0.626379  0.093522  0.400899  1
  Fe  Fe247  1  0.823111  0.794122  0.378457  1
  Fe  Fe248  1  0.965502  0.777500  0.388956  1
  Fe  Fe249  1  0.189630  0.815127  0.366437  1
  Fe  Fe250  1  0.127124  0.096085  0.402257  1
  Fe  Fe251  1  0.324801  0.798394  0.382552  1
  Fe  Fe252  1  0.463406  0.775382  0.392431  1
  Fe  Fe253  1  0.838440  0.338870  0.457153  1
  Fe  Fe254  1  0.423558  0.394891  0.419365  1
  Fe  Fe255  1  0.564620  0.374414  0.431966  1
  Fe  Fe256  1  0.764794  0.074923  0.412035  1
  Fe  Fe257  1  0.702262  0.356720  0.445084  1
  Fe  Fe258  1  0.904582  1.059293  0.424014  1
  Fe  Fe259  1  0.063854  0.375955  0.434193  1
  Fe  Fe260  1  0.264737  0.077198  0.415338  1
  Fe  Fe261  1  0.201820  0.358143  0.446173  1
  Fe  Fe262  1  0.402470  1.062170  0.425735  1
  Fe  Fe263  1  0.601696  0.754136  0.403696  1
  Fe  Fe264  1  0.541580  1.042520  0.437116  1
  Fe  Fe265  1  0.740834  0.738204  0.414733  1
  Fe  Fe266  1  0.878527  0.722525  0.427920  1
  Fe  Fe267  1  0.103940  0.759143  0.401626  1
  Fe  Fe268  1  0.039451  1.043196  0.438472  1
  Fe  Fe269  1  0.238574  0.741336  0.417097  1
  Fe  Fe270  1  0.376265  0.723510  0.429704  1
  Fe  Fe271  1  0.752656  0.283138  0.491397  1
  Fe  Fe272  1  0.336280  0.346891  0.457460  1
  Fe  Fe273  1  0.470189  0.338428  0.466829  1
  Fe  Fe274  1  0.677510  1.021014  0.451964  1
  Fe  Fe275  1  0.611200  0.313827  0.479912  1
  Fe  Fe276  1  0.817335  0.996152  0.457513  1
  Fe  Fe277  1  0.972117  0.326155  0.472026  1
  Fe  Fe278  1  0.175568  1.023075  0.451452  1
  Fe  Fe279  1  0.104471  0.311662  0.481485  1
  Fe  Fe280  1  0.309600  1.005170  0.466382  1
  Fe  Fe281  1  0.514090  0.700927  0.440215  1
  Fe  Fe282  1  0.444557  0.996172  0.471548  1
  Fe  Fe283  1  0.651322  0.680305  0.451894  1
  Fe  Fe284  1  0.785787  0.669145  0.461693  1
  Fe  Fe285  1  0.014889  0.704347  0.438104  1
  Fe  Fe286  1  0.948416  0.991914  0.471443  1
  Fe  Fe287  1  0.147324  0.689991  0.450678  1
  Fe  Fe288  1  0.284308  0.672045  0.464185  1
  Fe  Fe289  1  0.662311  0.452960  0.493524  1
  Fe  Fe290  1  0.243161  0.286780  0.493306  1
  Fe  Fe291  1  0.380636  0.274616  0.504704  1
  Fe  Fe292  1  0.583956  0.962999  0.482186  1
  Fe  Fe293  1  0.522803  0.474848  0.481020  1
  Fe  Fe294  1  0.737712  0.952913  0.495840  1
  Fe  Fe295  1  0.887228  0.490336  0.467705  1
  Fe  Fe296  1  0.084263  0.968466  0.485214  1
  Fe  Fe297  1  0.021729  0.476414  0.480131  1
  Fe  Fe298  1  0.220355  0.946598  0.497237  1
  Fe  Fe299  1  0.424245  0.648809  0.475382  1
  Fe  Fe300  1  0.351449  0.114262  0.500172  1
  Fe  Fe301  1  0.563831  0.632235  0.486711  1
  Fe  Fe302  1  0.686265  0.788701  0.488910  1
  Fe  Fe303  1  0.921310  0.650114  0.474321  1
  Fe  Fe304  1  0.836366  0.092539  0.496686  1
  Fe  Fe305  1  0.057011  0.635823  0.485993  1
  Fe  Fe306  1  0.179738  0.789677  0.489763  1
  Fe  Fe307  1  0.572627  0.400592  0.527634  1
  Fe  Fe308  1  0.157401  0.451647  0.492753  1
  Fe  Fe309  1  0.292729  0.438609  0.503027  1
  Fe  Fe310  1  0.489166  0.089734  0.509950  1
  Fe  Fe311  1  0.430963  0.420750  0.515200  1
  Fe  Fe312  1  0.625955  0.080368  0.512995  1
  Fe  Fe313  1  0.800122  0.423486  0.505373  1
  Fe  Fe314  1  0.980451  0.084364  0.512873  1
  Fe  Fe315  1  0.925994  0.429219  0.516221  1
  Fe  Fe316  1  0.121290  1.065960  0.524414  1
  Fe  Fe317  1  0.321282  0.773913  0.502698  1
  Fe  Fe318  1  0.258321  1.057801  0.530754  1
  Fe  Fe319  1  0.460315  0.747493  0.514340  1
  Fe  Fe320  1  0.594362  0.743607  0.522978  1
  Fe  Fe321  1  0.823007  0.772288  0.501056  1
  Fe  Fe322  1  0.753343  1.065060  0.534128  1
  Fe  Fe323  1  0.958648  0.748065  0.514158  1
  Fe  Fe324  1  0.093971  0.733821  0.524639  1
  Fe  Fe325  1  0.484215  0.346678  0.561979  1
  Fe  Fe326  1  0.060573  0.396911  0.527281  1
  Fe  Fe327  1  0.200718  0.383869  0.539982  1
  Fe  Fe328  1  0.394489  1.037714  0.545313  1
  Fe  Fe329  1  0.341300  0.368497  0.551976  1
  Fe  Fe330  1  0.533147  1.019337  0.555125  1
  Fe  Fe331  1  0.711945  0.379846  0.541217  1
  Fe  Fe332  1  0.890861  1.028270  0.543711  1
  Fe  Fe333  1  0.847108  0.367114  0.554378  1
  Fe  Fe334  1  0.030319  1.010520  0.558094  1
  Fe  Fe335  1  0.230557  0.717596  0.536485  1
  Fe  Fe336  1  0.167241  0.997060  0.570820  1
  Fe  Fe337  1  0.367931  0.700459  0.549406  1
  Fe  Fe338  1  0.507378  0.684182  0.560829  1
  Fe  Fe339  1  0.729350  0.721034  0.535678  1
  Fe  Fe340  1  0.668766  1.008147  0.567726  1
  Fe  Fe341  1  0.865016  0.701498  0.548389  1
  Fe  Fe342  1  1.003436  0.679239  0.561683  1
  Fe  Fe343  1  0.397841  0.293606  0.598623  1
  Fe  Fe344  1  0.979716  0.349604  0.566378  1
  Fe  Fe345  1  0.119319  0.325912  0.575098  1
  Fe  Fe346  1  0.305739  0.985000  0.581537  1
  Fe  Fe347  1  0.256945  0.310604  0.588456  1
  Fe  Fe348  1  0.445049  0.966890  0.592739  1
  Fe  Fe349  1  0.623210  0.328573  0.575247  1
  Fe  Fe350  1  0.807498  0.986572  0.581306  1
  Fe  Fe351  1  0.760930  0.312999  0.589793  1
  Fe  Fe352  1  0.946621  0.963402  0.593632  1
  Fe  Fe353  1  0.141953  0.662069  0.573903  1
  Fe  Fe354  1  0.082630  0.940594  0.608311  1
  Fe  Fe355  1  0.282286  0.646143  0.585801  1
  Fe  Fe356  1  0.422031  0.630141  0.597182  1
  Fe  Fe357  1  0.644894  0.668952  0.572758  1
  Fe  Fe358  1  0.582971  0.949119  0.604171  1
  Fe  Fe359  1  0.782403  0.650824  0.585297  1
  Fe  Fe360  1  0.918054  0.628618  0.598927  1
  Fe  Fe361  1  0.315723  0.237973  0.636477  1
  Fe  Fe362  1  0.897309  0.294826  0.603959  1
  Fe  Fe363  1  0.037781  0.271255  0.611881  1
  Fe  Fe364  1  0.221731  0.926368  0.618865  1
  Fe  Fe365  1  0.176173  0.253497  0.624159  1
  Fe  Fe366  1  0.362112  0.912700  0.630476  1
  Fe  Fe367  1  0.538354  0.274250  0.609982  1
  Fe  Fe368  1  0.716701  0.938028  0.615556  1
  Fe  Fe369  1  0.672943  0.257369  0.628971  1
  Fe  Fe370  1  0.866789  0.914280  0.628888  1
  Fe  Fe371  1  0.056933  0.608356  0.611082  1
  Fe  Fe372  1  0.997910  0.886805  0.645973  1
  Fe  Fe373  1  0.200470  0.591414  0.622770  1
  Fe  Fe374  1  0.342842  0.576719  0.633981  1
  Fe  Fe375  1  0.557263  0.616949  0.607945  1
  Fe  Fe376  1  0.499589  0.894165  0.642714  1
  Fe  Fe377  1  0.702189  0.598958  0.621087  1
  Fe  Fe378  1  0.831332  0.579468  0.640121  1
  Fe  Fe379  1  0.231731  0.182227  0.671371  1
  Fe  Fe380  1  0.816106  0.236290  0.638224  1
  Fe  Fe381  1  0.954971  0.215328  0.648263  1
  Fe  Fe382  1  0.141227  0.869482  0.656931  1
  Fe  Fe383  1  0.091968  0.197544  0.658904  1
  Fe  Fe384  1  0.281166  0.861968  0.665168  1
  Fe  Fe385  1  0.454375  0.217282  0.644225  1
  Fe  Fe386  1  0.641251  0.879767  0.657985  1
  Fe  Fe387  1  0.582875  0.197582  0.663182  1
  Fe  Fe388  1  0.777835  0.879954  0.657944  1
  Fe  Fe389  1  0.973457  0.554660  0.646926  1
  Fe  Fe390  1  0.902876  0.833940  0.681431  1
  Fe  Fe391  1  0.116339  0.538009  0.656092  1
  Fe  Fe392  1  0.265309  0.526217  0.668270  1
  Fe  Fe393  1  0.480070  0.554551  0.647686  1
  Fe  Fe394  1  0.417359  0.840850  0.678938  1
  Fe  Fe395  1  0.616152  0.552778  0.650416  1
  Fe  Fe396  1  0.738947  0.516305  0.674784  1
