# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.22922466
_cell_length_b   10.80388667
_cell_length_c   46.84768714
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   54.25497684
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al96 Fe192'
_cell_volume   7077.65157529
_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  0.854228  0.088754  0.268599  1
  Al  Al2  1  0.474892  0.036463  0.282109  1
  Al  Al3  1  0.807662  0.702011  0.282147  1
  Al  Al4  1  0.083257  0.995326  0.295015  1
  Al  Al5  1  0.523466  0.421846  0.268322  1
  Al  Al6  1  0.140307  0.370165  0.281921  1
  Al  Al7  1  0.746718  0.336853  0.296510  1
  Al  Al8  1  0.368739  0.289295  0.309800  1
  Al  Al9  1  0.701473  0.954891  0.309765  1
  Al  Al10  1  0.995904  0.239247  0.325090  1
  Al  Al11  1  0.416151  0.669430  0.296842  1
  Al  Al12  1  0.035247  0.620412  0.310268  1
  Al  Al13  1  0.660946  0.576953  0.325849  1
  Al  Al14  1  0.282654  0.528871  0.339531  1
  Al  Al15  1  0.616666  0.193373  0.339674  1
  Al  Al16  1  0.906760  0.478468  0.355030  1
  Al  Al17  1  0.327953  0.911396  0.325635  1
  Al  Al18  1  0.948788  0.860427  0.339884  1
  Al  Al19  1  0.572578  0.814211  0.355401  1
  Al  Al20  1  0.194472  0.767829  0.368801  1
  Al  Al21  1  0.527892  0.433897  0.368545  1
  Al  Al22  1  0.816343  0.721044  0.383112  1
  Al  Al23  1  0.239400  0.148209  0.355251  1
  Al  Al24  1  0.861138  0.100731  0.368783  1
  Al  Al25  1  0.482477  0.056055  0.383165  1
  Al  Al26  1  0.105603  0.006947  0.397648  1
  Al  Al27  1  0.438152  0.674226  0.397022  1
  Al  Al28  1  0.727636  0.960382  0.411864  1
  Al  Al29  1  0.149512  0.388592  0.383302  1
  Al  Al30  1  0.772236  0.340278  0.397598  1
  Al  Al31  1  0.393973  0.294976  0.411770  1
  Al  Al32  1  0.016759  0.246478  0.426241  1
  Al  Al33  1  0.349870  0.913369  0.425911  1
  Al  Al34  1  0.638621  0.200059  0.440365  1
  Al  Al35  1  0.060918  0.627301  0.411948  1
  Al  Al36  1  0.683383  0.579962  0.426213  1
  Al  Al37  1  0.305190  0.533874  0.440370  1
  Al  Al38  1  0.928062  0.486070  0.454850  1
  Al  Al39  1  0.261348  0.152815  0.454699  1
  Al  Al40  1  0.550022  0.439516  0.468999  1
  Al  Al41  1  0.971932  0.866654  0.440445  1
  Al  Al42  1  0.594607  0.819769  0.454776  1
  Al  Al43  1  0.216704  0.772827  0.469078  1
  Al  Al44  1  0.839291  0.725468  0.483486  1
  Al  Al45  1  0.172614  0.392162  0.483442  1
  Al  Al46  1  0.461373  0.678881  0.497659  1
  Al  Al47  1  0.883501  0.105862  0.469134  1
  Al  Al48  1  0.505829  0.059260  0.483412  1
  Al  Al49  1  0.128195  0.011950  0.497782  1
  Al  Al50  1  0.750376  0.965034  0.512031  1
  Al  Al51  1  0.083729  0.631664  0.512086  1
  Al  Al52  1  0.372827  0.918112  0.526347  1
  Al  Al53  1  0.794854  0.345292  0.497778  1
  Al  Al54  1  0.416925  0.298799  0.512010  1
  Al  Al55  1  0.039636  0.251132  0.526476  1
  Al  Al56  1  0.661596  0.204497  0.540633  1
  Al  Al57  1  0.994985  0.871104  0.540788  1
  Al  Al58  1  0.284374  0.157101  0.555060  1
  Al  Al59  1  0.706164  0.584774  0.526415  1
  Al  Al60  1  0.328183  0.538147  0.540726  1
  Al  Al61  1  0.951014  0.490393  0.555123  1
  Al  Al62  1  0.572825  0.444235  0.569156  1
  Al  Al63  1  0.906352  0.110751  0.569476  1
  Al  Al64  1  0.195547  0.396024  0.583654  1
  Al  Al65  1  0.617610  0.824252  0.555055  1
  Al  Al66  1  0.239649  0.777578  0.569487  1
  Al  Al67  1  0.862154  0.729650  0.583711  1
  Al  Al68  1  0.483971  0.683790  0.597700  1
  Al  Al69  1  0.818023  0.349965  0.598313  1
  Al  Al70  1  0.106944  0.635033  0.612180  1
  Al  Al71  1  0.528551  0.063929  0.583549  1
  Al  Al72  1  0.151339  0.016635  0.598338  1
  Al  Al73  1  0.773451  0.969179  0.612363  1
  Al  Al74  1  0.395161  0.922793  0.626516  1
  Al  Al75  1  0.728443  0.590124  0.626790  1
  Al  Al76  1  0.016887  0.875803  0.640091  1
  Al  Al77  1  0.439760  0.303245  0.612233  1
  Al  Al78  1  0.061614  0.256541  0.626799  1
  Al  Al79  1  0.682821  0.212060  0.640314  1
  Al  Al80  1  0.307929  0.161475  0.655785  1
  Al  Al81  1  0.640645  0.830452  0.655601  1
  Al  Al82  1  0.928233  0.112805  0.669630  1
  Al  Al83  1  0.349422  0.544611  0.640456  1
  Al  Al84  1  0.973328  0.495618  0.655949  1
  Al  Al85  1  0.593629  0.451369  0.670225  1
  Al  Al86  1  0.220833  0.402892  0.685102  1
  Al  Al87  1  0.554774  0.070465  0.685175  1
  Al  Al88  1  0.840139  0.354352  0.698499  1
  Al  Al89  1  0.260227  0.783325  0.670411  1
  Al  Al90  1  0.887941  0.735067  0.685674  1
  Al  Al91  1  0.506439  0.695096  0.700353  1
  Al  Al92  1  0.114950  0.653612  0.713450  1
  Al  Al93  1  0.448869  0.321106  0.713471  1
  Al  Al94  1  0.733674  0.602229  0.726823  1
  Al  Al95  1  0.170513  0.028597  0.699818  1
  Al  Al96  1  0.781001  0.988371  0.713279  1
  Fe  Fe97  1  0.862434  0.881930  0.295495  1
  Fe  Fe98  1  0.575550  0.603569  0.281121  1
  Fe  Fe99  1  0.907184  0.270497  0.280882  1
  Fe  Fe100  1  0.195186  0.555320  0.294813  1
  Fe  Fe101  1  0.530045  0.216068  0.295260  1
  Fe  Fe102  1  0.242304  0.944412  0.280831  1
  Fe  Fe103  1  0.014199  0.842600  0.284151  1
  Fe  Fe104  1  0.731788  0.553323  0.269870  1
  Fe  Fe105  1  0.064130  0.220629  0.270400  1
  Fe  Fe106  1  0.351581  0.508046  0.282860  1
  Fe  Fe107  1  0.683176  0.176107  0.283548  1
  Fe  Fe108  1  0.400485  0.886682  0.269882  1
  Fe  Fe109  1  0.776532  0.119506  0.324578  1
  Fe  Fe110  1  0.488732  0.834719  0.311876  1
  Fe  Fe111  1  0.821530  0.500538  0.311733  1
  Fe  Fe112  1  0.107839  0.787546  0.325555  1
  Fe  Fe113  1  0.442662  0.453263  0.324347  1
  Fe  Fe114  1  0.155437  0.169505  0.311920  1
  Fe  Fe115  1  0.923486  0.080691  0.314160  1
  Fe  Fe116  1  0.636992  0.793907  0.297036  1
  Fe  Fe117  1  0.969931  0.460540  0.297388  1
  Fe  Fe118  1  0.253531  0.748232  0.311108  1
  Fe  Fe119  1  0.589246  0.415124  0.314309  1
  Fe  Fe120  1  0.303905  0.128924  0.296847  1
  Fe  Fe121  1  0.688109  0.358968  0.353360  1
  Fe  Fe122  1  0.396872  0.075484  0.338937  1
  Fe  Fe123  1  0.730156  0.741045  0.339005  1
  Fe  Fe124  1  0.020997  0.026195  0.353621  1
  Fe  Fe125  1  0.352516  0.693988  0.352323  1
  Fe  Fe126  1  0.064119  0.407189  0.339196  1
  Fe  Fe127  1  0.834428  0.317897  0.341302  1
  Fe  Fe128  1  0.544120  0.032930  0.328353  1
  Fe  Fe129  1  0.877274  0.698742  0.328442  1
  Fe  Fe130  1  0.167485  0.983155  0.340493  1
  Fe  Fe131  1  0.500335  0.652526  0.341610  1
  Fe  Fe132  1  0.210720  0.367748  0.327959  1
  Fe  Fe133  1  0.598518  0.597857  0.381983  1
  Fe  Fe134  1  0.309150  0.313360  0.367601  1
  Fe  Fe135  1  0.642576  0.979008  0.367774  1
  Fe  Fe136  1  0.931758  0.264327  0.382054  1
  Fe  Fe137  1  0.264615  0.931409  0.381534  1
  Fe  Fe138  1  0.976123  0.645179  0.367817  1
  Fe  Fe139  1  0.745731  0.557201  0.370362  1
  Fe  Fe140  1  0.455215  0.272582  0.355055  1
  Fe  Fe141  1  0.788116  0.938606  0.355141  1
  Fe  Fe142  1  0.078939  0.222845  0.370069  1
  Fe  Fe143  1  0.411662  0.891916  0.370306  1
  Fe  Fe144  1  0.122035  0.604656  0.355332  1
  Fe  Fe145  1  0.509698  0.838230  0.410487  1
  Fe  Fe146  1  0.220185  0.552131  0.396002  1
  Fe  Fe147  1  0.553319  0.218854  0.395926  1
  Fe  Fe148  1  0.843201  0.504264  0.410610  1
  Fe  Fe149  1  0.176389  0.170942  0.410436  1
  Fe  Fe150  1  0.886648  0.885076  0.395978  1
  Fe  Fe151  1  0.657113  0.796776  0.399157  1
  Fe  Fe152  1  0.367432  0.511238  0.384017  1
  Fe  Fe153  1  0.700904  0.176699  0.384269  1
  Fe  Fe154  1  0.990391  0.462834  0.399045  1
  Fe  Fe155  1  0.323425  0.130938  0.399074  1
  Fe  Fe156  1  0.034051  0.843420  0.384411  1
  Fe  Fe157  1  0.421039  0.077595  0.439160  1
  Fe  Fe158  1  0.131812  0.790711  0.424802  1
  Fe  Fe159  1  0.464865  0.458025  0.424613  1
  Fe  Fe160  1  0.754515  0.743652  0.439270  1
  Fe  Fe161  1  0.087820  0.410234  0.439214  1
  Fe  Fe162  1  0.798436  0.123938  0.424780  1
  Fe  Fe163  1  0.567789  0.036888  0.427457  1
  Fe  Fe164  1  0.278935  0.749925  0.412985  1
  Fe  Fe165  1  0.612206  0.416164  0.413038  1
  Fe  Fe166  1  0.901214  0.702990  0.427474  1
  Fe  Fe167  1  0.234476  0.370244  0.427506  1
  Fe  Fe168  1  0.945611  0.082752  0.413206  1
  Fe  Fe169  1  0.332131  0.316956  0.467765  1
  Fe  Fe170  1  0.043312  0.029969  0.453510  1
  Fe  Fe171  1  0.376389  0.697108  0.453356  1
  Fe  Fe172  1  0.665477  0.983383  0.467773  1
  Fe  Fe173  1  0.998876  0.649829  0.467809  1
  Fe  Fe174  1  0.709852  0.363412  0.453440  1
  Fe  Fe175  1  0.479008  0.276183  0.456032  1
  Fe  Fe176  1  0.190385  0.989161  0.441763  1
  Fe  Fe177  1  0.523298  0.656004  0.441575  1
  Fe  Fe178  1  0.812469  0.942303  0.456133  1
  Fe  Fe179  1  0.145774  0.609188  0.456161  1
  Fe  Fe180  1  0.856979  0.322387  0.441864  1
  Fe  Fe181  1  0.243380  0.556210  0.496450  1
  Fe  Fe182  1  0.954666  0.269387  0.482176  1
  Fe  Fe183  1  0.287879  0.936316  0.482074  1
  Fe  Fe184  1  0.576664  0.222898  0.496355  1
  Fe  Fe185  1  0.910138  0.889262  0.496462  1
  Fe  Fe186  1  0.621097  0.603034  0.482036  1
  Fe  Fe187  1  0.390271  0.515412  0.484647  1
  Fe  Fe188  1  0.101707  0.228424  0.470461  1
  Fe  Fe189  1  0.434811  0.895363  0.470303  1
  Fe  Fe190  1  0.723713  0.181778  0.484722  1
  Fe  Fe191  1  0.057058  0.848412  0.484780  1
  Fe  Fe192  1  0.768276  0.561851  0.470494  1
  Fe  Fe193  1  0.154697  0.795544  0.525157  1
  Fe  Fe194  1  0.865958  0.508783  0.510820  1
  Fe  Fe195  1  0.199296  0.175473  0.510779  1
  Fe  Fe196  1  0.487877  0.462381  0.524954  1
  Fe  Fe197  1  0.821444  0.128777  0.525102  1
  Fe  Fe198  1  0.532512  0.842444  0.510695  1
  Fe  Fe199  1  0.301633  0.754611  0.513336  1
  Fe  Fe200  1  0.012946  0.467805  0.499111  1
  Fe  Fe201  1  0.346147  0.134767  0.499003  1
  Fe  Fe202  1  0.635067  0.421233  0.513363  1
  Fe  Fe203  1  0.968538  0.087644  0.513477  1
  Fe  Fe204  1  0.679515  0.801418  0.499086  1
  Fe  Fe205  1  0.066212  0.034775  0.553911  1
  Fe  Fe206  1  0.777202  0.748181  0.539421  1
  Fe  Fe207  1  0.110578  0.414615  0.539409  1
  Fe  Fe208  1  0.399164  0.701704  0.553611  1
  Fe  Fe209  1  0.732922  0.368193  0.553782  1
  Fe  Fe210  1  0.443775  0.081825  0.539307  1
  Fe  Fe211  1  0.213107  0.993816  0.542052  1
  Fe  Fe212  1  0.924132  0.707201  0.527727  1
  Fe  Fe213  1  0.257406  0.374066  0.527700  1
  Fe  Fe214  1  0.546303  0.660841  0.541960  1
  Fe  Fe215  1  0.879889  0.327073  0.542112  1
  Fe  Fe216  1  0.590721  0.040974  0.527682  1
  Fe  Fe217  1  0.977400  0.274231  0.582513  1
  Fe  Fe218  1  0.688387  0.987643  0.568018  1
  Fe  Fe219  1  0.021790  0.653769  0.567991  1
  Fe  Fe220  1  0.310631  0.940927  0.582357  1
  Fe  Fe221  1  0.644085  0.607990  0.582290  1
  Fe  Fe222  1  0.355031  0.320951  0.567981  1
  Fe  Fe223  1  0.124655  0.232816  0.570806  1
  Fe  Fe224  1  0.835149  0.946733  0.556269  1
  Fe  Fe225  1  0.168515  0.613467  0.556340  1
  Fe  Fe226  1  0.457742  0.900239  0.570635  1
  Fe  Fe227  1  0.791358  0.566306  0.570812  1
  Fe  Fe228  1  0.501701  0.280726  0.556222  1
  Fe  Fe229  1  0.888837  0.513041  0.611401  1
  Fe  Fe230  1  0.599031  0.228066  0.596375  1
  Fe  Fe231  1  0.932638  0.893431  0.596350  1
  Fe  Fe232  1  0.222337  0.179551  0.611286  1
  Fe  Fe233  1  0.555587  0.847383  0.611015  1
  Fe  Fe234  1  0.266048  0.560593  0.596470  1
  Fe  Fe235  1  0.036112  0.471820  0.599481  1
  Fe  Fe236  1  0.746438  0.186201  0.584899  1
  Fe  Fe237  1  0.079912  0.852907  0.585084  1
  Fe  Fe238  1  0.369451  0.138876  0.599444  1
  Fe  Fe239  1  0.703014  0.805499  0.599512  1
  Fe  Fe240  1  0.413091  0.520139  0.584962  1
  Fe  Fe241  1  0.801513  0.751558  0.640338  1
  Fe  Fe242  1  0.510279  0.468261  0.625337  1
  Fe  Fe243  1  0.844088  0.132776  0.625108  1
  Fe  Fe244  1  0.134200  0.418910  0.640120  1
  Fe  Fe245  1  0.468008  0.086070  0.640050  1
  Fe  Fe246  1  0.177647  0.800307  0.625403  1
  Fe  Fe247  1  0.947202  0.710889  0.627819  1
  Fe  Fe248  1  0.657672  0.426414  0.613327  1
  Fe  Fe249  1  0.991371  0.092844  0.613835  1
  Fe  Fe250  1  0.280360  0.377875  0.627812  1
  Fe  Fe251  1  0.613608  0.045588  0.627623  1
  Fe  Fe252  1  0.324900  0.759578  0.613802  1
  Fe  Fe253  1  0.712366  0.991631  0.666950  1
  Fe  Fe254  1  0.421576  0.707869  0.654932  1
  Fe  Fe255  1  0.755103  0.372389  0.653851  1
  Fe  Fe256  1  0.045523  0.656204  0.667383  1
  Fe  Fe257  1  0.379121  0.323354  0.667336  1
  Fe  Fe258  1  0.088756  0.040309  0.654582  1
  Fe  Fe259  1  0.859461  0.949032  0.656511  1
  Fe  Fe260  1  0.568289  0.664633  0.641747  1
  Fe  Fe261  1  0.903201  0.330529  0.643014  1
  Fe  Fe262  1  0.192169  0.616297  0.656325  1
  Fe  Fe263  1  0.525555  0.283867  0.656249  1
  Fe  Fe264  1  0.237124  0.996453  0.642844  1
  Fe  Fe265  1  0.619249  0.230652  0.698116  1
  Fe  Fe266  1  0.335412  0.942136  0.684190  1
  Fe  Fe267  1  0.665943  0.609722  0.681112  1
  Fe  Fe268  1  0.951949  0.895998  0.698648  1
  Fe  Fe269  1  0.285684  0.562291  0.698310  1
  Fe  Fe270  1  0.002429  0.275666  0.684059  1
  Fe  Fe271  1  0.767497  0.190152  0.683631  1
  Fe  Fe272  1  0.481414  0.903175  0.669787  1
  Fe  Fe273  1  0.813141  0.571042  0.671042  1
  Fe  Fe274  1  0.100366  0.854724  0.683451  1
  Fe  Fe275  1  0.434201  0.521711  0.683579  1
  Fe  Fe276  1  0.148461  0.236383  0.670029  1
  Fe  Fe277  1  0.524799  0.470503  0.725208  1
  Fe  Fe278  1  0.240437  0.182790  0.711620  1
  Fe  Fe279  1  0.574956  0.848520  0.711138  1
  Fe  Fe280  1  0.854996  0.138144  0.725760  1
  Fe  Fe281  1  0.189487  0.803887  0.725203  1
  Fe  Fe282  1  0.905070  0.515613  0.712353  1
  Fe  Fe283  1  0.681081  0.420777  0.714542  1
  Fe  Fe284  1  0.395436  0.135328  0.700456  1
  Fe  Fe285  1  0.727042  0.808248  0.700018  1
  Fe  Fe286  1  0.012617  0.080595  0.714539  1
  Fe  Fe287  1  0.348053  0.745636  0.714879  1
  Fe  Fe288  1  0.061082  0.468488  0.700633  1
