# generated using pymatgen
data_Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.16224897
_cell_length_b   13.93610657
_cell_length_c   48.01823806
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.65361941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Fe
_chemical_formula_sum   'Al324 Fe108'
_cell_volume   12365.9052509
_cell_formula_units_Z   108
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  0.900848  0.454804  0.279034  1
  Al  Al2  1  0.234181  0.121471  0.279034  1
  Al  Al3  1  0.183368  0.431074  0.304512  1
  Al  Al4  1  0.567515  0.788138  0.279034  1
  Al  Al5  1  0.516702  0.097741  0.304512  1
  Al  Al6  1  0.461949  0.402993  0.330998  1
  Al  Al7  1  0.850035  0.764408  0.304512  1
  Al  Al8  1  0.795283  0.069660  0.330998  1
  Al  Al9  1  0.128616  0.736326  0.330998  1
  Al  Al10  1  0.604128  0.386935  0.342443  1
  Al  Al11  1  0.937461  0.053602  0.342443  1
  Al  Al12  1  0.047101  0.440271  0.290539  1
  Al  Al13  1  0.270795  0.720269  0.342443  1
  Al  Al14  1  0.380434  0.106937  0.290539  1
  Al  Al15  1  0.326579  0.420532  0.315716  1
  Al  Al16  1  0.713767  0.773604  0.290539  1
  Al  Al17  1  0.659912  0.087198  0.315716  1
  Al  Al18  1  0.993246  0.753865  0.315716  1
  Al  Al19  1  0.693878  0.424624  0.304745  1
  Al  Al20  1  0.027211  0.091290  0.304745  1
  Al  Al21  1  0.964806  0.398027  0.330369  1
  Al  Al22  1  0.360545  0.757957  0.304745  1
  Al  Al23  1  0.298140  0.064693  0.330369  1
  Al  Al24  1  0.426654  0.447488  0.279625  1
  Al  Al25  1  0.631473  0.731360  0.330369  1
  Al  Al26  1  0.759988  0.114155  0.279625  1
  Al  Al27  1  0.093321  0.780821  0.279625  1
  Al  Al28  1  0.739401  0.584976  0.308415  1
  Al  Al29  1  0.072735  0.251643  0.308415  1
  Al  Al30  1  0.010144  0.562331  0.334462  1
  Al  Al31  1  0.406068  0.918310  0.308415  1
  Al  Al32  1  0.343477  0.228997  0.334462  1
  Al  Al33  1  0.465017  0.619392  0.282967  1
  Al  Al34  1  0.676810  0.895664  0.334462  1
  Al  Al35  1  0.798350  0.286058  0.282967  1
  Al  Al36  1  0.131684  0.952725  0.282967  1
  Al  Al37  1  0.873393  0.575087  0.322556  1
  Al  Al38  1  0.206726  0.241754  0.322556  1
  Al  Al39  1  0.325090  0.622596  0.273428  1
  Al  Al40  1  0.540059  0.908421  0.322556  1
  Al  Al41  1  0.658424  0.289263  0.273428  1
  Al  Al42  1  0.601522  0.600553  0.296250  1
  Al  Al43  1  0.991757  0.955929  0.273428  1
  Al  Al44  1  0.934856  0.267220  0.296250  1
  Al  Al45  1  0.268189  0.933887  0.296250  1
  Al  Al46  1  0.959640  0.620581  0.281773  1
  Al  Al47  1  0.292974  0.287248  0.281773  1
  Al  Al48  1  0.229464  0.595105  0.307201  1
  Al  Al49  1  0.626307  0.953915  0.281773  1
  Al  Al50  1  0.562797  0.261772  0.307201  1
  Al  Al51  1  0.509984  0.564639  0.333592  1
  Al  Al52  1  0.896130  0.928439  0.307201  1
  Al  Al53  1  0.843317  0.231306  0.333592  1
  Al  Al54  1  0.176651  0.897972  0.333592  1
  Al  Al55  1  0.737397  0.374662  0.355714  1
  Al  Al56  1  0.070730  0.041329  0.355714  1
  Al  Al57  1  0.011487  0.347563  0.381168  1
  Al  Al58  1  0.404063  0.707996  0.355714  1
  Al  Al59  1  0.344820  0.014230  0.381168  1
  Al  Al60  1  0.285282  0.320769  0.406720  1
  Al  Al61  1  0.678154  0.680897  0.381168  1
  Al  Al62  1  0.618615  0.987436  0.406720  1
  Al  Al63  1  0.951949  0.654103  0.406720  1
  Al  Al64  1  0.424908  0.307230  0.419637  1
  Al  Al65  1  0.758241  0.973897  0.419637  1
  Al  Al66  1  0.877419  0.360476  0.368780  1
  Al  Al67  1  0.091574  0.640563  0.419637  1
  Al  Al68  1  0.210753  0.027143  0.368780  1
  Al  Al69  1  0.151011  0.334330  0.393856  1
  Al  Al70  1  0.544086  0.693809  0.368780  1
  Al  Al71  1  0.484344  1.000997  0.393856  1
  Al  Al72  1  0.817678  0.667663  0.393856  1
  Al  Al73  1  0.513168  0.346422  0.382233  1
  Al  Al74  1  0.846502  0.013089  0.382233  1
  Al  Al75  1  0.787292  0.319500  0.408068  1
  Al  Al76  1  0.179835  0.679755  0.382233  1
  Al  Al77  1  0.120625  0.986167  0.408068  1
  Al  Al78  1  0.238415  0.374170  0.355794  1
  Al  Al79  1  0.453958  0.652834  0.408068  1
  Al  Al80  1  0.571749  0.040837  0.355794  1
  Al  Al81  1  0.905082  0.707503  0.355794  1
  Al  Al82  1  0.559871  0.508591  0.385879  1
  Al  Al83  1  0.893205  0.175258  0.385879  1
  Al  Al84  1  0.834132  0.482428  0.411718  1
  Al  Al85  1  0.226538  0.841925  0.385879  1
  Al  Al86  1  0.167465  0.149095  0.411718  1
  Al  Al87  1  0.285022  0.536593  0.359614  1
  Al  Al88  1  0.500798  0.815761  0.411718  1
  Al  Al89  1  0.618356  0.203260  0.359614  1
  Al  Al90  1  0.951689  0.869927  0.359614  1
  Al  Al91  1  0.694615  0.495703  0.398905  1
  Al  Al92  1  0.027949  0.162369  0.398905  1
  Al  Al93  1  0.145230  0.549773  0.348191  1
  Al  Al94  1  0.361282  0.829036  0.398905  1
  Al  Al95  1  0.478563  0.216439  0.348191  1
  Al  Al96  1  0.419998  0.523349  0.373585  1
  Al  Al97  1  0.811896  0.883106  0.348191  1
  Al  Al98  1  0.753331  0.190016  0.373585  1
  Al  Al99  1  0.086664  0.856683  0.373585  1
  Al  Al100  1  0.783650  0.537640  0.359374  1
  Al  Al101  1  0.116984  0.204306  0.359374  1
  Al  Al102  1  0.057876  0.510233  0.385063  1
  Al  Al103  1  0.450317  0.870973  0.359374  1
  Al  Al104  1  0.391209  0.176900  0.385063  1
  Al  Al105  1  0.332234  0.483646  0.410593  1
  Al  Al106  1  0.724543  0.843566  0.385063  1
  Al  Al107  1  0.665567  0.150313  0.410593  1
  Al  Al108  1  0.998901  0.816979  0.410593  1
  Al  Al109  1  0.559729  0.293632  0.432751  1
  Al  Al110  1  0.893062  0.960299  0.432751  1
  Al  Al111  1  0.834383  0.266479  0.458507  1
  Al  Al112  1  0.226396  0.626966  0.432751  1
  Al  Al113  1  0.167717  0.933146  0.458507  1
  Al  Al114  1  0.108942  0.239497  0.484088  1
  Al  Al115  1  0.501050  0.599813  0.458507  1
  Al  Al116  1  0.442275  0.906163  0.484088  1
  Al  Al117  1  0.775609  0.572830  0.484088  1
  Al  Al118  1  0.248467  0.225730  0.496998  1
  Al  Al119  1  0.581800  0.892397  0.496998  1
  Al  Al120  1  0.699468  0.279824  0.445583  1
  Al  Al121  1  0.915133  0.559063  0.496998  1
  Al  Al122  1  0.032801  0.946491  0.445583  1
  Al  Al123  1  0.974062  0.252744  0.471383  1
  Al  Al124  1  0.366135  0.613158  0.445583  1
  Al  Al125  1  0.307396  0.919410  0.471383  1
  Al  Al126  1  0.640729  0.586077  0.471383  1
  Al  Al127  1  0.335709  0.265256  0.459221  1
  Al  Al128  1  0.669042  0.931923  0.459221  1
  Al  Al129  1  0.610191  0.238082  0.485070  1
  Al  Al130  1  0.002375  0.598589  0.459221  1
  Al  Al131  1  0.943525  0.904748  0.485070  1
  Al  Al132  1  0.061405  0.292507  0.433588  1
  Al  Al133  1  0.276858  0.571415  0.485070  1
  Al  Al134  1  0.394738  0.959174  0.433588  1
  Al  Al135  1  0.728071  0.625840  0.433588  1
  Al  Al136  1  0.383172  0.427901  0.463069  1
  Al  Al137  1  0.716505  0.094568  0.463069  1
  Al  Al138  1  0.657574  0.400777  0.488922  1
  Al  Al139  1  0.049839  0.761235  0.463069  1
  Al  Al140  1  0.990907  0.067444  0.488922  1
  Al  Al141  1  0.108762  0.455139  0.437308  1
  Al  Al142  1  0.324241  0.734110  0.488922  1
  Al  Al143  1  0.442095  0.121806  0.437308  1
  Al  Al144  1  0.775429  0.788473  0.437308  1
  Al  Al145  1  0.518043  0.414591  0.475982  1
  Al  Al146  1  0.851376  0.081258  0.475982  1
  Al  Al147  1  0.969028  0.468631  0.424471  1
  Al  Al148  1  0.184709  0.747924  0.475982  1
  Al  Al149  1  0.302361  0.135297  0.424471  1
  Al  Al150  1  0.243640  0.441581  0.450141  1
  Al  Al151  1  0.635694  0.801964  0.424471  1
  Al  Al152  1  0.576973  0.108247  0.450141  1
  Al  Al153  1  0.910306  0.774914  0.450141  1
  Al  Al154  1  0.607216  0.456279  0.436507  1
  Al  Al155  1  0.940549  0.122946  0.436507  1
  Al  Al156  1  0.881805  0.429178  0.462186  1
  Al  Al157  1  0.273883  0.789613  0.436507  1
  Al  Al158  1  0.215138  0.095845  0.462186  1
  Al  Al159  1  0.156270  0.402234  0.487826  1
  Al  Al160  1  0.548471  0.762511  0.462186  1
  Al  Al161  1  0.489603  0.068901  0.487826  1
  Al  Al162  1  0.822937  0.735568  0.487826  1
  Al  Al163  1  0.383308  0.212555  0.509764  1
  Al  Al164  1  0.716642  0.879221  0.509764  1
  Al  Al165  1  0.657711  0.185430  0.535617  1
  Al  Al166  1  0.049975  0.545888  0.509764  1
  Al  Al167  1  0.991044  0.852097  0.535617  1
  Al  Al168  1  0.932120  0.158193  0.561377  1
  Al  Al169  1  0.324377  0.518764  0.535617  1
  Al  Al170  1  0.265454  0.824859  0.561377  1
  Al  Al171  1  0.598787  0.491526  0.561377  1
  Al  Al172  1  0.071855  0.144701  0.574215  1
  Al  Al173  1  0.405188  0.811368  0.574215  1
  Al  Al174  1  0.522840  0.198741  0.522704  1
  Al  Al175  1  0.738522  0.478035  0.574215  1
  Al  Al176  1  0.856173  0.865407  0.522704  1
  Al  Al177  1  0.797243  0.171751  0.548545  1
  Al  Al178  1  0.189506  0.532074  0.522704  1
  Al  Al179  1  0.130576  0.838418  0.548545  1
  Al  Al180  1  0.463910  0.505084  0.548545  1
  Al  Al181  1  0.159078  0.184154  0.536500  1
  Al  Al182  1  0.492411  0.850820  0.536500  1
  Al  Al183  1  0.433667  0.157052  0.562178  1
  Al  Al184  1  0.825745  0.517487  0.536500  1
  Al  Al185  1  0.767000  0.823719  0.562178  1
  Al  Al186  1  0.884613  0.211097  0.510859  1
  Al  Al187  1  0.100333  0.490386  0.562178  1
  Al  Al188  1  0.217946  0.877764  0.510859  1
  Al  Al189  1  0.551279  0.544431  0.510859  1
  Al  Al190  1  0.206499  0.346852  0.540179  1
  Al  Al191  1  0.539832  0.013519  0.540179  1
  Al  Al192  1  0.481154  0.319699  0.565935  1
  Al  Al193  1  0.873166  0.680186  0.540179  1
  Al  Al194  1  0.814487  0.986366  0.565935  1
  Al  Al195  1  0.931941  0.373835  0.514598  1
  Al  Al196  1  0.147820  0.653033  0.565935  1
  Al  Al197  1  0.265274  0.040502  0.514598  1
  Al  Al198  1  0.598607  0.707168  0.514598  1
  Al  Al199  1  0.341415  0.333507  0.553102  1
  Al  Al200  1  0.674748  1.000174  0.553102  1
  Al  Al201  1  0.792416  0.387602  0.501688  1
  Al  Al202  1  0.008081  0.666841  0.553102  1
  Al  Al203  1  0.125749  0.054268  0.501688  1
  Al  Al204  1  0.066820  0.360588  0.527303  1
  Al  Al205  1  0.459083  0.720935  0.501688  1
  Al  Al206  1  0.400154  0.027255  0.527303  1
  Al  Al207  1  0.733487  0.693921  0.527303  1
  Al  Al208  1  0.430691  0.375250  0.513616  1
  Al  Al209  1  0.764025  0.041917  0.513616  1
  Al  Al210  1  0.705174  0.348076  0.539465  1
  Al  Al211  1  0.097358  0.708583  0.513616  1
  Al  Al212  1  0.038507  0.014743  0.539465  1
  Al  Al213  1  0.979478  0.320825  0.565098  1
  Al  Al214  1  0.371841  0.681409  0.539465  1
  Al  Al215  1  0.312811  0.987491  0.565098  1
  Al  Al216  1  0.646145  0.654158  0.565098  1
  Al  Al217  1  0.206751  0.130904  0.586967  1
  Al  Al218  1  0.540084  0.797570  0.586967  1
  Al  Al219  1  0.481011  0.104740  0.612806  1
  Al  Al220  1  0.873418  0.464237  0.586967  1
  Al  Al221  1  0.814345  0.771407  0.612806  1
  Al  Al222  1  0.755860  0.076738  0.639071  1
  Al  Al223  1  0.147678  0.438074  0.612806  1
  Al  Al224  1  0.089194  0.743405  0.639071  1
  Al  Al225  1  0.422527  0.410072  0.639071  1
  Al  Al226  1  0.895653  0.063559  0.650494  1
  Al  Al227  1  0.228986  0.730226  0.650494  1
  Al  Al228  1  0.346267  0.117629  0.599781  1
  Al  Al229  1  0.562320  0.396892  0.650494  1
  Al  Al230  1  0.679600  0.784296  0.599781  1
  Al  Al231  1  0.620885  0.089982  0.625101  1
  Al  Al232  1  0.012934  0.450962  0.599781  1
  Al  Al233  1  0.954218  0.756649  0.625101  1
  Al  Al234  1  0.287552  0.423316  0.625101  1
  Al  Al235  1  0.983006  0.103099  0.613622  1
  Al  Al236  1  0.316340  0.769766  0.613622  1
  Al  Al237  1  0.257232  0.075692  0.639312  1
  Al  Al238  1  0.649673  0.436432  0.613622  1
  Al  Al239  1  0.590566  0.742359  0.639312  1
  Al  Al240  1  0.708649  0.129686  0.588093  1
  Al  Al241  1  0.923899  0.409026  0.639312  1
  Al  Al242  1  0.041982  0.796352  0.588093  1
  Al  Al243  1  0.375315  0.463019  0.588093  1
  Al  Al244  1  0.029396  0.265768  0.617517  1
  Al  Al245  1  0.362729  0.932435  0.617517  1
  Al  Al246  1  0.303486  0.238669  0.642972  1
  Al  Al247  1  0.696062  0.599102  0.617517  1
  Al  Al248  1  0.636819  0.905336  0.642972  1
  Al  Al249  1  0.755600  0.292562  0.591965  1
  Al  Al250  1  0.970153  0.572003  0.642972  1
  Al  Al251  1  0.088934  0.959229  0.591965  1
  Al  Al252  1  0.422267  0.625896  0.591965  1
  Al  Al253  1  0.163463  0.252856  0.629905  1
  Al  Al254  1  0.496797  0.919522  0.629905  1
  Al  Al255  1  0.615975  0.306102  0.579049  1
  Al  Al256  1  0.830130  0.586189  0.629905  1
  Al  Al257  1  0.949308  0.972768  0.579049  1
  Al  Al258  1  0.889872  0.279002  0.604829  1
  Al  Al259  1  0.282642  0.639435  0.579049  1
  Al  Al260  1  0.223205  0.945669  0.604829  1
  Al  Al261  1  0.556538  0.612335  0.604829  1
  Al  Al262  1  0.253591  0.293832  0.590617  1
  Al  Al263  1  0.586924  0.960498  0.590617  1
  Al  Al264  1  0.527714  0.266910  0.616453  1
  Al  Al265  1  0.920257  0.627165  0.590617  1
  Al  Al266  1  0.861048  0.933576  0.616453  1
  Al  Al267  1  0.802467  0.239162  0.642892  1
  Al  Al268  1  0.194381  0.600243  0.616453  1
  Al  Al269  1  0.135801  0.905828  0.642892  1
  Al  Al270  1  0.469134  0.572495  0.642892  1
  Al  Al271  1  0.030739  0.051001  0.664224  1
  Al  Al272  1  0.364072  0.717668  0.664224  1
  Al  Al273  1  0.301481  0.028355  0.690271  1
  Al  Al274  1  0.697406  0.384334  0.664224  1
  Al  Al275  1  0.634815  0.695022  0.690271  1
  Al  Al276  1  0.575865  0.993940  0.715719  1
  Al  Al277  1  0.968148  0.361689  0.690271  1
  Al  Al278  1  0.909199  0.660607  0.715719  1
  Al  Al279  1  0.242532  0.327273  0.715719  1
  Al  Al280  1  0.715792  0.990736  0.725258  1
  Al  Al281  1  0.049126  0.657402  0.725258  1
  Al  Al282  1  0.167490  0.038244  0.676130  1
  Al  Al283  1  0.382459  0.324069  0.725258  1
  Al  Al284  1  0.500823  0.704911  0.676130  1
  Al  Al285  1  0.439360  0.012778  0.702435  1
  Al  Al286  1  0.834157  0.371578  0.676130  1
  Al  Al287  1  0.772694  0.679445  0.702435  1
  Al  Al288  1  0.106027  0.346112  0.702435  1
  Al  Al289  1  0.811419  0.018226  0.691484  1
  Al  Al290  1  0.144752  0.684893  0.691484  1
  Al  Al291  1  0.081242  0.992750  0.716913  1
  Al  Al292  1  0.478086  0.351560  0.691484  1
  Al  Al293  1  0.414576  0.659417  0.716913  1
  Al  Al294  1  0.530899  0.048693  0.665094  1
  Al  Al295  1  0.747909  0.326084  0.716913  1
  Al  Al296  1  0.864232  0.715359  0.665094  1
  Al  Al297  1  0.197565  0.382026  0.665094  1
  Al  Al298  1  0.857514  0.182257  0.694174  1
  Al  Al299  1  0.190848  0.848924  0.694174  1
  Al  Al300  1  0.140035  0.158527  0.719652  1
  Al  Al301  1  0.524181  0.515591  0.694174  1
  Al  Al302  1  0.473368  0.825194  0.719652  1
  Al  Al303  1  0.578933  0.210339  0.667688  1
  Al  Al304  1  0.806701  0.491861  0.719652  1
  Al  Al305  1  0.912266  0.877005  0.667688  1
  Al  Al306  1  0.245600  0.543672  0.667688  1
  Al  Al307  1  0.993782  0.173061  0.708147  1
  Al  Al308  1  0.327115  0.839728  0.708147  1
  Al  Al309  1  0.436754  0.226396  0.656243  1
  Al  Al310  1  0.660449  0.506395  0.708147  1
  Al  Al311  1  0.770088  0.893063  0.656243  1
  Al  Al312  1  0.714303  0.192800  0.682970  1
  Al  Al313  1  0.103421  0.559730  0.656243  1
  Al  Al314  1  0.047637  0.859467  0.682970  1
  Al  Al315  1  0.380970  0.526133  0.682970  1
  Al  Al316  1  0.076076  0.215305  0.668317  1
  Al  Al317  1  0.409410  0.881972  0.668317  1
  Al  Al318  1  0.347004  0.188708  0.693941  1
  Al  Al319  1  0.742743  0.548638  0.668317  1
  Al  Al320  1  0.680338  0.855375  0.693941  1
  Al  Al321  1  0.614228  0.165844  0.719060  1
  Al  Al322  1  0.013671  0.522041  0.693941  1
  Al  Al323  1  0.947562  0.832510  0.719060  1
  Al  Al324  1  0.280895  0.499177  0.719060  1
  Fe  Fe325  1  0.823332  0.632697  0.274120  1
  Fe  Fe326  1  0.156665  0.299363  0.274120  1
  Fe  Fe327  1  0.094092  0.604304  0.298796  1
  Fe  Fe328  1  0.489999  0.966030  0.274120  1
  Fe  Fe329  1  0.427426  0.270971  0.298796  1
  Fe  Fe330  1  0.374523  0.575717  0.322403  1
  Fe  Fe331  1  0.760759  0.937638  0.298796  1
  Fe  Fe332  1  0.707856  0.242383  0.322403  1
  Fe  Fe333  1  0.041190  0.909050  0.322403  1
  Fe  Fe334  1  0.828302  0.411807  0.319356  1
  Fe  Fe335  1  0.161636  0.078474  0.319356  1
  Fe  Fe336  1  0.100538  0.386835  0.342800  1
  Fe  Fe337  1  0.494969  0.745141  0.319356  1
  Fe  Fe338  1  0.433872  0.053502  0.342800  1
  Fe  Fe339  1  0.555890  0.442179  0.294337  1
  Fe  Fe340  1  0.767205  0.720169  0.342800  1
  Fe  Fe341  1  0.889223  0.108846  0.294337  1
  Fe  Fe342  1  0.222557  0.775513  0.294337  1
  Fe  Fe343  1  0.647469  0.548819  0.347428  1
  Fe  Fe344  1  0.980802  0.215486  0.347428  1
  Fe  Fe345  1  0.921279  0.522612  0.372963  1
  Fe  Fe346  1  0.314136  0.882153  0.347428  1
  Fe  Fe347  1  0.254612  0.189278  0.372963  1
  Fe  Fe348  1  0.195582  0.495953  0.398538  1
  Fe  Fe349  1  0.587945  0.855945  0.372963  1
  Fe  Fe350  1  0.528916  0.162620  0.398538  1
  Fe  Fe351  1  0.862249  0.829287  0.398538  1
  Fe  Fe352  1  0.649866  0.333743  0.394382  1
  Fe  Fe353  1  0.983200  1.000410  0.394382  1
  Fe  Fe354  1  0.924377  0.306567  0.420149  1
  Fe  Fe355  1  0.316533  0.667076  0.394382  1
  Fe  Fe356  1  0.257710  0.973234  0.420149  1
  Fe  Fe357  1  0.374647  0.361309  0.368446  1
  Fe  Fe358  1  0.591043  0.639901  0.420149  1
  Fe  Fe359  1  0.707980  0.027975  0.368446  1
  Fe  Fe360  1  0.041314  0.694642  0.368446  1
  Fe  Fe361  1  0.469944  0.468905  0.424387  1
  Fe  Fe362  1  0.803278  0.135571  0.424387  1
  Fe  Fe363  1  0.744420  0.441886  0.450099  1
  Fe  Fe364  1  0.136611  0.802238  0.424387  1
  Fe  Fe365  1  0.077753  0.108552  0.450099  1
  Fe  Fe366  1  0.018910  0.414828  0.475720  1
  Fe  Fe367  1  0.411087  0.775219  0.450099  1
  Fe  Fe368  1  0.352243  0.081495  0.475720  1
  Fe  Fe369  1  0.685576  0.748162  0.475720  1
  Fe  Fe370  1  0.473031  0.252668  0.471433  1
  Fe  Fe371  1  0.806364  0.919334  0.471433  1
  Fe  Fe372  1  0.747499  0.225582  0.497257  1
  Fe  Fe373  1  0.139698  0.586001  0.471433  1
  Fe  Fe374  1  0.080832  0.892248  0.497257  1
  Fe  Fe375  1  0.198666  0.279784  0.445695  1
  Fe  Fe376  1  0.414165  0.558915  0.497257  1
  Fe  Fe377  1  0.531999  0.946450  0.445695  1
  Fe  Fe378  1  0.865332  0.613117  0.445695  1
  Fe  Fe379  1  0.293384  0.387750  0.501429  1
  Fe  Fe380  1  0.626717  0.054417  0.501429  1
  Fe  Fe381  1  0.567851  0.360664  0.527253  1
  Fe  Fe382  1  0.960051  0.721083  0.501429  1
  Fe  Fe383  1  0.901185  0.027331  0.527253  1
  Fe  Fe384  1  0.842217  0.333548  0.552991  1
  Fe  Fe385  1  0.234518  0.693997  0.527253  1
  Fe  Fe386  1  0.175550  1.000215  0.552991  1
  Fe  Fe387  1  0.508884  0.666881  0.552991  1
  Fe  Fe388  1  0.296463  0.171446  0.548586  1
  Fe  Fe389  1  0.629796  0.838113  0.548586  1
  Fe  Fe390  1  0.570938  0.144427  0.574298  1
  Fe  Fe391  1  0.963129  0.504779  0.548586  1
  Fe  Fe392  1  0.904272  0.811094  0.574298  1
  Fe  Fe393  1  0.021973  0.198504  0.522966  1
  Fe  Fe394  1  0.237605  0.477760  0.574298  1
  Fe  Fe395  1  0.355306  0.865170  0.522966  1
  Fe  Fe396  1  0.688639  0.531837  0.522966  1
  Fe  Fe397  1  0.116506  0.306764  0.578536  1
  Fe  Fe398  1  0.449839  0.973431  0.578536  1
  Fe  Fe399  1  0.391016  0.279589  0.604303  1
  Fe  Fe400  1  0.783172  0.640098  0.578536  1
  Fe  Fe401  1  0.724350  0.946255  0.604303  1
  Fe  Fe402  1  0.666236  0.252023  0.630240  1
  Fe  Fe403  1  0.057683  0.612922  0.604303  1
  Fe  Fe404  1  0.999569  0.918690  0.630240  1
  Fe  Fe405  1  0.332902  0.585356  0.630240  1
  Fe  Fe406  1  0.119604  0.090720  0.625722  1
  Fe  Fe407  1  0.452937  0.757387  0.625722  1
  Fe  Fe408  1  0.393414  0.064512  0.651258  1
  Fe  Fe409  1  0.786270  0.424053  0.625722  1
  Fe  Fe410  1  0.726747  0.731179  0.651258  1
  Fe  Fe411  1  0.845300  0.117378  0.600147  1
  Fe  Fe412  1  0.060080  0.397846  0.651258  1
  Fe  Fe413  1  0.178634  0.784045  0.600147  1
  Fe  Fe414  1  0.511967  0.450712  0.600147  1
  Fe  Fe415  1  0.940344  0.226496  0.655886  1
  Fe  Fe416  1  0.273677  0.893163  0.655886  1
  Fe  Fe417  1  0.212580  0.201524  0.679329  1
  Fe  Fe418  1  0.607011  0.559830  0.655886  1
  Fe  Fe419  1  0.545914  0.868191  0.679329  1
  Fe  Fe420  1  0.484993  0.171152  0.704349  1
  Fe  Fe421  1  0.879247  0.534858  0.679329  1
  Fe  Fe422  1  0.818326  0.837819  0.704349  1
  Fe  Fe423  1  0.151659  0.504486  0.704349  1
  Fe  Fe424  1  0.946790  0.009027  0.699890  1
  Fe  Fe425  1  0.280124  0.675694  0.699890  1
  Fe  Fe426  1  0.217550  0.980635  0.724566  1
  Fe  Fe427  1  0.613457  0.342361  0.699890  1
  Fe  Fe428  1  0.550884  0.647302  0.724566  1
  Fe  Fe429  1  0.666359  0.037615  0.676282  1
  Fe  Fe430  1  0.884217  0.313968  0.724566  1
  Fe  Fe431  1  0.999693  0.704282  0.676282  1
  Fe  Fe432  1  0.333026  0.370948  0.676282  1
