# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52559366
_cell_length_b   20.58947783
_cell_length_c   56.22738732
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al96 Fe192'
_cell_volume   7554.63112904
_cell_formula_units_Z   96
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  0.269802  0.151576  0.301859  1
  Al  Al2  1  0.255295  0.750077  0.372979  1
  Al  Al3  1  0.245021  0.451668  0.334783  1
  Al  Al4  1  1.001886  0.350179  0.352925  1
  Al  Al5  1  0.992640  0.045768  0.320084  1
  Al  Al6  1  0.043029  0.748812  0.283905  1
  Al  Al7  1  0.756658  0.297553  0.317319  1
  Al  Al8  1  0.713745  0.996357  0.283992  1
  Al  Al9  1  0.752431  0.600574  0.353934  1
  Al  Al10  1  0.508329  0.200377  0.335208  1
  Al  Al11  1  0.484429  0.903448  0.302172  1
  Al  Al12  1  0.501628  0.499824  0.372239  1
  Al  Al13  1  0.748906  0.099702  0.353931  1
  Al  Al14  1  0.763371  0.797323  0.320228  1
  Al  Al15  1  0.728382  0.504165  0.284077  1
  Al  Al16  1  0.486183  0.404872  0.300863  1
  Al  Al17  1  0.500244  0.999711  0.372860  1
  Al  Al18  1  0.513216  0.701880  0.336314  1
  Al  Al19  1  0.252153  0.250173  0.372022  1
  Al  Al20  1  0.243834  0.950438  0.336070  1
  Al  Al21  1  0.278907  0.656747  0.302243  1
  Al  Al22  1  0.026417  0.241517  0.283545  1
  Al  Al23  1  0.005644  0.850233  0.354246  1
  Al  Al24  1  0.998493  0.549466  0.320021  1
  Al  Al25  1  0.251980  0.049784  0.409795  1
  Al  Al26  1  0.252111  0.649272  0.483959  1
  Al  Al27  1  0.251590  0.349709  0.446325  1
  Al  Al28  1  1.002099  0.249796  0.464842  1
  Al  Al29  1  1.002185  0.949556  0.428414  1
  Al  Al30  1  0.004056  0.649394  0.391422  1
  Al  Al31  1  0.751886  0.199923  0.427851  1
  Al  Al32  1  0.752459  0.899446  0.391607  1
  Al  Al33  1  0.751885  0.499471  0.465146  1
  Al  Al34  1  0.502195  0.099782  0.446570  1
  Al  Al35  1  0.503106  0.799468  0.410087  1
  Al  Al36  1  0.502129  0.399703  0.483517  1
  Al  Al37  1  0.752475  0.999480  0.465241  1
  Al  Al38  1  0.753153  0.699325  0.428471  1
  Al  Al39  1  0.751183  0.399501  0.390642  1
  Al  Al40  1  0.501815  0.299831  0.409151  1
  Al  Al41  1  0.502621  0.899246  0.483895  1
  Al  Al42  1  0.502870  0.599309  0.446808  1
  Al  Al43  1  0.252387  0.149661  0.483434  1
  Al  Al44  1  0.252569  0.849355  0.446982  1
  Al  Al45  1  0.252586  0.549395  0.409667  1
  Al  Al46  1  1.001359  0.149946  0.391009  1
  Al  Al47  1  0.002742  0.749222  0.465492  1
  Al  Al48  1  1.002123  0.449482  0.427909  1
  Al  Al49  1  0.253000  0.949104  0.520773  1
  Al  Al50  1  0.249745  0.549045  0.595391  1
  Al  Al51  1  0.252372  0.249735  0.557174  1
  Al  Al52  1  0.003428  0.149465  0.575554  1
  Al  Al53  1  0.002780  0.848966  0.539515  1
  Al  Al54  1  1.002149  0.549444  0.502382  1
  Al  Al55  1  0.753331  0.099327  0.538880  1
  Al  Al56  1  0.752400  0.799122  0.502516  1
  Al  Al57  1  0.750351  0.399906  0.576196  1
  Al  Al58  1  0.503938  0.999038  0.557573  1
  Al  Al59  1  0.502217  0.699146  0.521103  1
  Al  Al60  1  0.500438  0.299756  0.594402  1
  Al  Al61  1  0.753828  0.898905  0.576381  1
  Al  Al62  1  0.751423  0.599344  0.539633  1
  Al  Al63  1  0.751808  0.299802  0.501894  1
  Al  Al64  1  0.502524  0.199639  0.520310  1
  Al  Al65  1  0.501835  0.798883  0.595238  1
  Al  Al66  1  0.501523  0.499568  0.558011  1
  Al  Al67  1  0.256652  0.049122  0.594209  1
  Al  Al68  1  0.251677  0.748951  0.558219  1
  Al  Al69  1  0.251378  0.449715  0.520742  1
  Al  Al70  1  0.002760  0.049395  0.502082  1
  Al  Al71  1  1.001115  0.649000  0.576892  1
  Al  Al72  1  1.001784  0.349926  0.538984  1
  Al  Al73  1  0.252430  0.849238  0.632358  1
  Al  Al74  1  0.262831  0.440012  0.702533  1
  Al  Al75  1  0.268457  0.146095  0.666933  1
  Al  Al76  1  0.008457  0.049362  0.681713  1
  Al  Al77  1  0.998951  0.749146  0.651409  1
  Al  Al78  1  1.000720  0.448426  0.613824  1
  Al  Al79  1  0.756567  1.000304  0.649330  1
  Al  Al80  1  0.750465  0.698904  0.614059  1
  Al  Al81  1  0.715545  0.302411  0.684547  1
  Al  Al82  1  0.507536  0.899822  0.668808  1
  Al  Al83  1  0.498621  0.598456  0.632857  1
  Al  Al84  1  0.565182  0.194387  0.702626  1
  Al  Al85  1  0.747311  0.802130  0.685885  1
  Al  Al86  1  0.751163  0.497379  0.651313  1
  Al  Al87  1  0.750768  0.199615  0.612260  1
  Al  Al88  1  0.511016  0.099389  0.631391  1
  Al  Al89  1  0.478886  0.697618  0.702590  1
  Al  Al90  1  0.504097  0.399065  0.668394  1
  Al  Al91  1  0.272577  0.950035  0.702345  1
  Al  Al92  1  0.241427  0.648015  0.669380  1
  Al  Al93  1  0.249008  0.348041  0.631601  1
  Al  Al94  1  0.006016  0.949240  0.613199  1
  Al  Al95  1  1.001354  0.547222  0.686172  1
  Al  Al96  1  0.997668  0.251296  0.646317  1
  Fe  Fe97  1  0.379036  0.124945  0.372467  1
  Fe  Fe98  1  0.380228  0.826440  0.335633  1
  Fe  Fe99  1  0.350792  0.533983  0.296155  1
  Fe  Fe100  1  0.654177  0.198780  0.285290  1
  Fe  Fe101  1  0.627299  0.799782  0.364391  1
  Fe  Fe102  1  0.617580  0.502067  0.326487  1
  Fe  Fe103  1  0.127197  0.049869  0.364166  1
  Fe  Fe104  1  0.141058  0.752365  0.327205  1
  Fe  Fe105  1  0.097343  0.463712  0.287019  1
  Fe  Fe106  1  0.960758  0.098112  0.281404  1
  Fe  Fe107  1  0.882025  0.724250  0.354535  1
  Fe  Fe108  1  0.868231  0.422004  0.315179  1
  Fe  Fe109  1  0.877293  0.275322  0.390348  1
  Fe  Fe110  1  0.874978  0.973720  0.354443  1
  Fe  Fe111  1  0.892887  0.674364  0.316326  1
  Fe  Fe112  1  0.121402  0.351797  0.304180  1
  Fe  Fe113  1  0.125768  0.949650  0.382348  1
  Fe  Fe114  1  0.131040  0.650990  0.345847  1
  Fe  Fe115  1  0.628273  0.199970  0.381587  1
  Fe  Fe116  1  0.629186  0.899527  0.346017  1
  Fe  Fe117  1  0.637260  0.605767  0.306951  1
  Fe  Fe118  1  0.402607  0.273822  0.296557  1
  Fe  Fe119  1  0.375460  0.874842  0.372960  1
  Fe  Fe120  1  0.378288  0.576489  0.335349  1
  Fe  Fe121  1  0.883363  0.170167  0.316183  1
  Fe  Fe122  1  0.792623  0.849963  0.281548  1
  Fe  Fe123  1  0.876494  0.473933  0.353454  1
  Fe  Fe124  1  0.125840  0.150126  0.345515  1
  Fe  Fe125  1  0.125399  0.853302  0.306154  1
  Fe  Fe126  1  0.125540  0.449420  0.381477  1
  Fe  Fe127  1  0.630837  0.099206  0.306841  1
  Fe  Fe128  1  0.630705  0.699583  0.382389  1
  Fe  Fe129  1  0.626587  0.400390  0.344802  1
  Fe  Fe130  1  0.373807  0.074879  0.335475  1
  Fe  Fe131  1  0.419447  0.779153  0.297197  1
  Fe  Fe132  1  0.374502  0.374810  0.371914  1
  Fe  Fe133  1  0.373251  0.327024  0.334182  1
  Fe  Fe134  1  0.336721  0.027045  0.297027  1
  Fe  Fe135  1  0.381767  0.624774  0.372778  1
  Fe  Fe136  1  0.623931  0.299657  0.362608  1
  Fe  Fe137  1  0.613626  0.999764  0.327305  1
  Fe  Fe138  1  0.678450  0.709672  0.285070  1
  Fe  Fe139  1  0.134758  0.250974  0.326335  1
  Fe  Fe140  1  0.077721  0.957960  0.284798  1
  Fe  Fe141  1  0.129665  0.550037  0.363912  1
  Fe  Fe142  1  0.876188  0.224647  0.353265  1
  Fe  Fe143  1  0.868682  0.921887  0.316403  1
  Fe  Fe144  1  0.973826  0.604221  0.281501  1
  Fe  Fe145  1  0.377726  0.024405  0.483659  1
  Fe  Fe146  1  0.378019  0.724144  0.446987  1
  Fe  Fe147  1  0.377004  0.424710  0.409205  1
  Fe  Fe148  1  0.626734  0.099919  0.400408  1
  Fe  Fe149  1  0.627931  0.699347  0.474737  1
  Fe  Fe150  1  0.626416  0.399488  0.437101  1
  Fe  Fe151  1  0.127330  0.949424  0.474590  1
  Fe  Fe152  1  0.127621  0.649360  0.437626  1
  Fe  Fe153  1  0.126999  0.349684  0.399940  1
  Fe  Fe154  1  0.874651  0.024551  0.391239  1
  Fe  Fe155  1  0.877147  0.624192  0.465351  1
  Fe  Fe156  1  0.876536  0.324725  0.427699  1
  Fe  Fe157  1  0.877399  0.174694  0.501869  1
  Fe  Fe158  1  0.877735  0.874239  0.465427  1
  Fe  Fe159  1  0.878442  0.574067  0.428153  1
  Fe  Fe160  1  0.125986  0.249721  0.418462  1
  Fe  Fe161  1  0.127883  0.849244  0.493191  1
  Fe  Fe162  1  0.127520  0.549443  0.456013  1
  Fe  Fe163  1  0.627943  0.099446  0.492737  1
  Fe  Fe164  1  0.627273  0.799396  0.456262  1
  Fe  Fe165  1  0.627205  0.499410  0.418774  1
  Fe  Fe166  1  0.376829  0.175106  0.409341  1
  Fe  Fe167  1  0.377302  0.774057  0.484026  1
  Fe  Fe168  1  0.376930  0.474435  0.446527  1
  Fe  Fe169  1  0.877420  0.074711  0.428108  1
  Fe  Fe170  1  0.880423  0.774579  0.391445  1
  Fe  Fe171  1  0.876785  0.374810  0.464896  1
  Fe  Fe172  1  0.127285  0.049634  0.455936  1
  Fe  Fe173  1  0.128650  0.749484  0.419262  1
  Fe  Fe174  1  0.126375  0.349634  0.492683  1
  Fe  Fe175  1  0.626700  0.999781  0.419130  1
  Fe  Fe176  1  0.626844  0.599438  0.493175  1
  Fe  Fe177  1  0.627405  0.299662  0.455599  1
  Fe  Fe178  1  0.377037  0.974410  0.446822  1
  Fe  Fe179  1  0.378143  0.674413  0.409883  1
  Fe  Fe180  1  0.377327  0.274928  0.483368  1
  Fe  Fe181  1  0.376728  0.225017  0.446328  1
  Fe  Fe182  1  0.377708  0.924580  0.409917  1
  Fe  Fe183  1  0.377216  0.524417  0.483766  1
  Fe  Fe184  1  0.626708  0.199639  0.474142  1
  Fe  Fe185  1  0.627716  0.899520  0.437695  1
  Fe  Fe186  1  0.628518  0.599481  0.400578  1
  Fe  Fe187  1  0.127480  0.149773  0.437222  1
  Fe  Fe188  1  0.127843  0.849646  0.400841  1
  Fe  Fe189  1  0.127042  0.449561  0.474346  1
  Fe  Fe190  1  0.877305  0.124793  0.464965  1
  Fe  Fe191  1  0.877455  0.824206  0.428498  1
  Fe  Fe192  1  0.875358  0.524260  0.390796  1
  Fe  Fe193  1  0.378216  0.923878  0.595011  1
  Fe  Fe194  1  0.376418  0.624147  0.558255  1
  Fe  Fe195  1  0.376470  0.325032  0.520423  1
  Fe  Fe196  1  0.627989  0.999263  0.511432  1
  Fe  Fe197  1  0.626455  0.599328  0.586081  1
  Fe  Fe198  1  0.625864  0.299685  0.548091  1
  Fe  Fe199  1  0.127984  0.848760  0.585910  1
  Fe  Fe200  1  0.125952  0.549582  0.548814  1
  Fe  Fe201  1  0.127789  0.249582  0.511072  1
  Fe  Fe202  1  0.877611  0.924112  0.502349  1
  Fe  Fe203  1  0.877050  0.524426  0.576849  1
  Fe  Fe204  1  0.877664  0.224937  0.538719  1
  Fe  Fe205  1  0.879010  0.074264  0.613012  1
  Fe  Fe206  1  0.876582  0.774076  0.576763  1
  Fe  Fe207  1  0.876251  0.474710  0.539437  1
  Fe  Fe208  1  0.127490  0.149425  0.529616  1
  Fe  Fe209  1  0.125328  0.748336  0.604608  1
  Fe  Fe210  1  0.126850  0.449835  0.567170  1
  Fe  Fe211  1  0.630354  0.998954  0.603433  1
  Fe  Fe212  1  0.625824  0.699253  0.567591  1
  Fe  Fe213  1  0.626605  0.399778  0.529896  1
  Fe  Fe214  1  0.378173  0.074501  0.520460  1
  Fe  Fe215  1  0.375598  0.673595  0.595537  1
  Fe  Fe216  1  0.376093  0.374753  0.557642  1
  Fe  Fe217  1  0.878163  0.974034  0.539236  1
  Fe  Fe218  1  0.877385  0.674124  0.502530  1
  Fe  Fe219  1  0.875958  0.275106  0.575602  1
  Fe  Fe220  1  0.128970  0.948877  0.566994  1
  Fe  Fe221  1  0.127354  0.649347  0.530348  1
  Fe  Fe222  1  0.128247  0.249523  0.602595  1
  Fe  Fe223  1  0.627596  0.899084  0.530133  1
  Fe  Fe224  1  0.624964  0.499469  0.604333  1
  Fe  Fe225  1  0.628375  0.199395  0.566304  1
  Fe  Fe226  1  0.378177  0.873844  0.558034  1
  Fe  Fe227  1  0.376784  0.574326  0.521006  1
  Fe  Fe228  1  0.381173  0.174706  0.594094  1
  Fe  Fe229  1  0.378314  0.124349  0.557310  1
  Fe  Fe230  1  0.377434  0.824019  0.521028  1
  Fe  Fe231  1  0.376203  0.423950  0.595003  1
  Fe  Fe232  1  0.629935  0.099268  0.584982  1
  Fe  Fe233  1  0.627698  0.799003  0.548795  1
  Fe  Fe234  1  0.627012  0.499608  0.511561  1
  Fe  Fe235  1  0.129022  0.049010  0.548147  1
  Fe  Fe236  1  0.126746  0.749263  0.511827  1
  Fe  Fe237  1  0.124520  0.350135  0.585359  1
  Fe  Fe238  1  0.880835  0.024457  0.576026  1
  Fe  Fe239  1  0.876869  0.723856  0.539709  1
  Fe  Fe240  1  0.876946  0.424743  0.502144  1
  Fe  Fe241  1  0.400209  0.824480  0.707661  1
  Fe  Fe242  1  0.375157  0.522265  0.669538  1
  Fe  Fe243  1  0.375057  0.223797  0.631216  1
  Fe  Fe244  1  0.632112  0.899214  0.622454  1
  Fe  Fe245  1  0.634565  0.496510  0.697728  1
  Fe  Fe246  1  0.634079  0.199591  0.658092  1
  Fe  Fe247  1  0.113827  0.749914  0.698073  1
  Fe  Fe248  1  0.134484  0.440571  0.660098  1
  Fe  Fe249  1  0.129636  0.149080  0.620898  1
  Fe  Fe250  1  0.879091  0.823642  0.613949  1
  Fe  Fe251  1  0.882505  0.423739  0.689029  1
  Fe  Fe252  1  0.888588  0.127515  0.649684  1
  Fe  Fe253  1  0.966034  1.000197  0.722398  1
  Fe  Fe254  1  0.860582  0.677399  0.689828  1
  Fe  Fe255  1  0.877455  0.371861  0.650998  1
  Fe  Fe256  1  0.141065  0.049537  0.639467  1
  Fe  Fe257  1  0.119983  0.644632  0.715785  1
  Fe  Fe258  1  0.089435  0.328939  0.683234  1
  Fe  Fe259  1  0.649283  0.900592  0.716583  1
  Fe  Fe260  1  0.613854  0.598135  0.678768  1
  Fe  Fe261  1  0.609640  0.300662  0.640878  1
  Fe  Fe262  1  0.387654  0.974495  0.631954  1
  Fe  Fe263  1  0.353669  0.566351  0.708450  1
  Fe  Fe264  1  0.347282  0.264663  0.670462  1
  Fe  Fe265  1  0.879508  0.874875  0.650894  1
  Fe  Fe266  1  0.872791  0.574095  0.614342  1
  Fe  Fe267  1  0.933046  0.198833  0.683788  1
  Fe  Fe268  1  0.125923  0.851945  0.679723  1
  Fe  Fe269  1  0.120522  0.545824  0.641908  1
  Fe  Fe270  1  0.878530  0.117611  0.714823  1
  Fe  Fe271  1  0.623469  0.799732  0.641266  1
  Fe  Fe272  1  0.617001  0.391983  0.715611  1
  Fe  Fe273  1  0.644141  0.099499  0.677747  1
  Fe  Fe274  1  0.367625  0.775990  0.669318  1
  Fe  Fe275  1  0.375410  0.474281  0.632047  1
  Fe  Fe276  1  0.303499  0.084502  0.706992  1
  Fe  Fe277  1  0.394785  0.024828  0.669763  1
  Fe  Fe278  1  0.372168  0.724079  0.632538  1
  Fe  Fe279  1  0.379055  0.312199  0.708935  1
  Fe  Fe280  1  0.623609  0.012402  0.704348  1
  Fe  Fe281  1  0.623640  0.699228  0.659492  1
  Fe  Fe282  1  0.628638  0.400307  0.622820  1
  Fe  Fe283  1  0.134308  0.948918  0.658486  1
  Fe  Fe284  1  0.124749  0.647887  0.623530  1
  Fe  Fe285  1  0.198156  0.206392  0.709693  1
  Fe  Fe286  1  0.867978  0.935138  0.687084  1
  Fe  Fe287  1  0.874683  0.624235  0.651891  1
  Fe  Fe288  1  0.869688  0.324665  0.612646  1
