# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.27973219
_cell_length_b   14.60428433
_cell_length_c   48.01350834
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al80 Fe160'
_cell_volume   6173.05886243
_cell_formula_units_Z   80
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  0.245363  1.001780  0.311265  1
  Al  Al2  1  0.473517  0.446747  0.352168  1
  Al  Al3  1  0.330372  0.680062  0.278073  1
  Al  Al4  1  0.560339  0.114698  0.324127  1
  Al  Al5  1  0.358146  0.727993  0.330072  1
  Al  Al6  1  0.145293  0.273714  0.289487  1
  Al  Al7  1  0.665854  0.836551  0.341106  1
  Al  Al8  1  0.445326  0.387242  0.298788  1
  Al  Al9  1  0.857010  0.727468  0.328796  1
  Al  Al10  1  0.643295  0.268807  0.289836  1
  Al  Al11  1  0.165389  0.836110  0.340885  1
  Al  Al12  1  0.946199  0.386560  0.298875  1
  Al  Al13  1  0.742881  1.001000  0.310900  1
  Al  Al14  1  0.973028  0.446759  0.352181  1
  Al  Al15  1  0.277662  0.558163  0.362504  1
  Al  Al16  1  0.061573  0.115578  0.323900  1
  Al  Al17  1  0.693862  0.889228  0.398289  1
  Al  Al18  1  0.917837  0.335757  0.443596  1
  Al  Al19  1  0.777616  0.557942  0.362431  1
  Al  Al20  1  1.000170  1.001166  0.410068  1
  Al  Al21  1  0.805623  0.612837  0.420197  1
  Al  Al22  1  0.585719  0.168953  0.376760  1
  Al  Al23  1  0.110850  0.723456  0.431816  1
  Al  Al24  1  0.890913  0.279731  0.386927  1
  Al  Al25  1  0.305565  0.612793  0.420204  1
  Al  Al26  1  0.085789  0.169020  0.376697  1
  Al  Al27  1  0.611014  0.723448  0.431819  1
  Al  Al28  1  0.390749  0.279750  0.386956  1
  Al  Al29  1  0.193613  0.889155  0.398286  1
  Al  Al30  1  0.417803  0.335714  0.443616  1
  Al  Al31  1  0.723089  0.446788  0.454794  1
  Al  Al32  1  0.500241  1.001175  0.410134  1
  Al  Al33  1  0.139201  0.779132  0.489138  1
  Al  Al34  1  0.361631  0.223921  0.534676  1
  Al  Al35  1  0.223067  0.446790  0.454779  1
  Al  Al36  1  0.444865  0.890222  0.500613  1
  Al  Al37  1  0.250555  0.502122  0.511792  1
  Al  Al38  1  0.028347  0.056958  0.466663  1
  Al  Al39  1  0.556157  0.613083  0.523171  1
  Al  Al40  1  0.334114  0.168426  0.478036  1
  Al  Al41  1  0.750530  0.502114  0.511785  1
  Al  Al42  1  0.528301  0.056962  0.466682  1
  Al  Al43  1  0.056170  0.613093  0.523213  1
  Al  Al44  1  0.834105  0.168475  0.478012  1
  Al  Al45  1  0.639227  0.779132  0.489097  1
  Al  Al46  1  0.861532  0.223924  0.534641  1
  Al  Al47  1  0.167021  0.335337  0.545950  1
  Al  Al48  1  0.945025  0.890198  0.500590  1
  Al  Al49  1  0.584515  0.668667  0.580074  1
  Al  Al50  1  0.805973  0.112502  0.625816  1
  Al  Al51  1  0.666902  0.335262  0.545946  1
  Al  Al52  1  0.890908  0.779461  0.591826  1
  Al  Al53  1  0.693443  0.390982  0.602506  1
  Al  Al54  1  0.473005  0.945906  0.557699  1
  Al  Al55  1  0.999598  0.502523  0.614113  1
  Al  Al56  1  0.778534  0.057106  0.568930  1
  Al  Al57  1  0.193864  0.391447  0.602727  1
  Al  Al58  1  0.973349  0.945794  0.557572  1
  Al  Al59  1  0.499103  0.502798  0.614234  1
  Al  Al60  1  0.278743  0.056854  0.569017  1
  Al  Al61  1  0.084129  0.668620  0.580523  1
  Al  Al62  1  0.307509  0.112582  0.625784  1
  Al  Al63  1  0.610765  0.223988  0.636472  1
  Al  Al64  1  0.390175  0.779864  0.591981  1
  Al  Al65  1  0.022179  0.555410  0.669993  1
  Al  Al66  1  0.251430  0.002793  0.712221  1
  Al  Al67  1  0.111084  0.224324  0.636430  1
  Al  Al68  1  0.354332  0.672945  0.679319  1
  Al  Al69  1  0.135888  0.279034  0.690587  1
  Al  Al70  1  0.920049  0.833603  0.649097  1
  Al  Al71  1  0.431156  0.391575  0.701172  1
  Al  Al72  1  0.226570  0.944321  0.659855  1
  Al  Al73  1  0.634927  0.279195  0.690344  1
  Al  Al74  1  0.421728  0.837166  0.649256  1
  Al  Al75  1  0.933244  0.389491  0.700611  1
  Al  Al76  1  0.726250  0.945284  0.659544  1
  Al  Al77  1  0.526337  0.556929  0.671134  1
  Al  Al78  1  0.764611  0.003843  0.711676  1
  Al  Al79  1  0.059300  0.111566  0.722285  1
  Al  Al80  1  0.829761  0.664595  0.682160  1
  Fe  Fe81  1  0.962155  0.921462  0.323156  1
  Fe  Fe82  1  0.724863  0.446060  0.275632  1
  Fe  Fe83  1  0.055225  0.863523  0.282972  1
  Fe  Fe84  1  0.269628  0.278037  0.336201  1
  Fe  Fe85  1  0.123687  1.000544  0.360275  1
  Fe  Fe86  1  0.900253  0.553376  0.310794  1
  Fe  Fe87  1  0.086149  0.708928  0.299576  1
  Fe  Fe88  1  0.322271  0.140424  0.347622  1
  Fe  Fe89  1  0.067401  0.642213  0.344987  1
  Fe  Fe90  1  0.856486  0.181336  0.297734  1
  Fe  Fe91  1  0.373946  0.999656  0.359645  1
  Fe  Fe92  1  0.152875  0.558878  0.311095  1
  Fe  Fe93  1  0.793300  0.847028  0.289366  1
  Fe  Fe94  1  0.014464  0.277435  0.336220  1
  Fe  Fe95  1  0.979608  0.021879  0.281307  1
  Fe  Fe96  1  0.209926  0.419993  0.324337  1
  Fe  Fe97  1  0.570019  0.639538  0.345224  1
  Fe  Fe98  1  0.354269  0.181190  0.297865  1
  Fe  Fe99  1  0.874044  0.999734  0.359480  1
  Fe  Fe100  1  0.654067  0.559036  0.309080  1
  Fe  Fe101  1  0.291985  0.844719  0.290087  1
  Fe  Fe102  1  0.513980  0.277088  0.336242  1
  Fe  Fe103  1  0.480930  0.020075  0.281553  1
  Fe  Fe104  1  0.707661  0.419417  0.324500  1
  Fe  Fe105  1  0.462340  0.920602  0.323391  1
  Fe  Fe106  1  0.227438  0.457164  0.275574  1
  Fe  Fe107  1  0.547361  0.856084  0.283118  1
  Fe  Fe108  1  0.769643  0.277871  0.336309  1
  Fe  Fe109  1  0.623940  1.000677  0.360341  1
  Fe  Fe110  1  0.400877  0.556695  0.311057  1
  Fe  Fe111  1  0.590294  0.710528  0.300878  1
  Fe  Fe112  1  0.822507  0.140135  0.347353  1
  Fe  Fe113  1  0.402688  0.806133  0.414899  1
  Fe  Fe114  1  0.182485  0.362816  0.369582  1
  Fe  Fe115  1  0.484844  0.722862  0.380121  1
  Fe  Fe116  1  0.709707  0.168762  0.427090  1
  Fe  Fe117  1  0.569483  0.889898  0.449333  1
  Fe  Fe118  1  0.348114  0.446780  0.403463  1
  Fe  Fe119  1  0.541338  0.584774  0.391385  1
  Fe  Fe120  1  0.764289  0.029209  0.438294  1
  Fe  Fe121  1  0.515077  0.530443  0.437431  1
  Fe  Fe122  1  0.293974  0.085752  0.393195  1
  Fe  Fe123  1  0.819526  0.889891  0.449342  1
  Fe  Fe124  1  0.598221  0.446768  0.403315  1
  Fe  Fe125  1  0.233957  0.723381  0.380488  1
  Fe  Fe126  1  0.459574  0.168644  0.427175  1
  Fe  Fe127  1  0.429000  0.861545  0.369339  1
  Fe  Fe128  1  0.654102  0.308088  0.415442  1
  Fe  Fe129  1  0.015184  0.530818  0.437345  1
  Fe  Fe130  1  0.794557  0.086134  0.393089  1
  Fe  Fe131  1  0.319486  0.889883  0.449291  1
  Fe  Fe132  1  0.098204  0.446790  0.403336  1
  Fe  Fe133  1  0.734424  0.723506  0.380310  1
  Fe  Fe134  1  0.959624  0.168681  0.427180  1
  Fe  Fe135  1  0.928835  0.861055  0.368915  1
  Fe  Fe136  1  0.154136  0.308081  0.415370  1
  Fe  Fe137  1  0.902476  0.806649  0.414787  1
  Fe  Fe138  1  0.682296  0.362366  0.369672  1
  Fe  Fe139  1  0.984314  0.723013  0.380209  1
  Fe  Fe140  1  0.209675  0.168789  0.427092  1
  Fe  Fe141  1  0.069466  0.889889  0.449309  1
  Fe  Fe142  1  0.848040  0.446736  0.403494  1
  Fe  Fe143  1  0.040941  0.584488  0.391085  1
  Fe  Fe144  1  0.264248  0.029298  0.438428  1
  Fe  Fe145  1  0.847914  0.696094  0.506155  1
  Fe  Fe146  1  0.626124  0.252279  0.460944  1
  Fe  Fe147  1  0.930852  0.612761  0.471835  1
  Fe  Fe148  1  0.153566  0.057078  0.517657  1
  Fe  Fe149  1  0.014858  0.779544  0.540443  1
  Fe  Fe150  1  0.792387  0.335450  0.494871  1
  Fe  Fe151  1  0.986654  0.474047  0.483064  1
  Fe  Fe152  1  0.209268  0.918529  0.529521  1
  Fe  Fe153  1  0.958994  0.419248  0.528785  1
  Fe  Fe154  1  0.736205  0.973164  0.483613  1
  Fe  Fe155  1  0.264690  0.779484  0.540380  1
  Fe  Fe156  1  0.042346  0.335421  0.494866  1
  Fe  Fe157  1  0.680922  0.612924  0.471878  1
  Fe  Fe158  1  0.903411  0.056981  0.517635  1
  Fe  Fe159  1  0.875139  0.751204  0.460443  1
  Fe  Fe160  1  0.097896  0.196303  0.506376  1
  Fe  Fe161  1  0.458882  0.419384  0.528832  1
  Fe  Fe162  1  0.236071  0.972558  0.483730  1
  Fe  Fe163  1  0.764815  0.779507  0.540381  1
  Fe  Fe164  1  0.542324  0.335435  0.494899  1
  Fe  Fe165  1  0.180882  0.612893  0.471872  1
  Fe  Fe166  1  0.403411  0.056964  0.517649  1
  Fe  Fe167  1  0.375046  0.751284  0.460534  1
  Fe  Fe168  1  0.597908  0.196308  0.506422  1
  Fe  Fe169  1  0.347720  0.695898  0.506178  1
  Fe  Fe170  1  0.126273  0.252405  0.460913  1
  Fe  Fe171  1  0.430858  0.612793  0.471805  1
  Fe  Fe172  1  0.653483  0.057141  0.517734  1
  Fe  Fe173  1  0.514593  0.779483  0.540391  1
  Fe  Fe174  1  0.292419  0.335440  0.494891  1
  Fe  Fe175  1  0.486638  0.474075  0.483120  1
  Fe  Fe176  1  0.709088  0.918298  0.529134  1
  Fe  Fe177  1  0.289393  0.584818  0.597546  1
  Fe  Fe178  1  0.069537  0.139653  0.551805  1
  Fe  Fe179  1  0.375217  0.502319  0.563163  1
  Fe  Fe180  1  0.599369  0.946568  0.608890  1
  Fe  Fe181  1  0.462879  0.669226  0.630383  1
  Fe  Fe182  1  0.236389  0.223827  0.585536  1
  Fe  Fe183  1  0.430597  0.363111  0.574228  1
  Fe  Fe184  1  0.656126  0.808124  0.620148  1
  Fe  Fe185  1  0.399680  0.307655  0.619642  1
  Fe  Fe186  1  0.181484  0.860625  0.575168  1
  Fe  Fe187  1  0.710581  0.669121  0.631371  1
  Fe  Fe188  1  0.486382  0.224099  0.585846  1
  Fe  Fe189  1  0.125255  0.502211  0.562952  1
  Fe  Fe190  1  0.349549  0.946196  0.608928  1
  Fe  Fe191  1  0.320252  0.641097  0.551929  1
  Fe  Fe192  1  0.542792  0.085238  0.597752  1
  Fe  Fe193  1  0.902784  0.306803  0.619541  1
  Fe  Fe194  1  0.681222  0.862616  0.574602  1
  Fe  Fe195  1  0.211419  0.671128  0.632029  1
  Fe  Fe196  1  0.986337  0.223754  0.585605  1
  Fe  Fe197  1  0.625248  0.502332  0.563006  1
  Fe  Fe198  1  0.849490  0.946003  0.608519  1
  Fe  Fe199  1  0.820544  0.640988  0.551871  1
  Fe  Fe200  1  0.043111  0.085261  0.597567  1
  Fe  Fe201  1  0.791417  0.584322  0.597481  1
  Fe  Fe202  1  0.569073  0.139739  0.551912  1
  Fe  Fe203  1  0.875193  0.502048  0.563019  1
  Fe  Fe204  1  0.099438  0.945892  0.608598  1
  Fe  Fe205  1  0.960552  0.668517  0.631348  1
  Fe  Fe206  1  0.736318  0.223877  0.585600  1
  Fe  Fe207  1  0.930657  0.363042  0.574221  1
  Fe  Fe208  1  0.155451  0.808425  0.621859  1
  Fe  Fe209  1  0.724551  0.467554  0.690000  1
  Fe  Fe210  1  0.516299  0.028197  0.643768  1
  Fe  Fe211  1  0.814918  0.391036  0.652397  1
  Fe  Fe212  1  0.040770  0.819887  0.707574  1
  Fe  Fe213  1  0.900905  0.559738  0.720598  1
  Fe  Fe214  1  0.685052  0.115775  0.677207  1
  Fe  Fe215  1  0.874353  0.251335  0.664955  1
  Fe  Fe216  1  0.154035  0.658629  0.712346  1
  Fe  Fe217  1  0.862623  0.204657  0.713924  1
  Fe  Fe218  1  0.632574  0.754483  0.665755  1
  Fe  Fe219  1  0.103775  0.498274  0.736238  1
  Fe  Fe220  1  0.932542  0.113258  0.675403  1
  Fe  Fe221  1  0.566687  0.392316  0.652720  1
  Fe  Fe222  1  0.801298  0.835715  0.700136  1
  Fe  Fe223  1  0.761880  0.530738  0.643663  1
  Fe  Fe224  1  0.997218  0.966826  0.688596  1
  Fe  Fe225  1  0.345183  0.205338  0.713729  1
  Fe  Fe226  1  0.117647  0.746340  0.668791  1
  Fe  Fe227  1  0.619321  0.536795  0.724894  1
  Fe  Fe228  1  0.431970  0.115603  0.676720  1
  Fe  Fe229  1  0.068683  0.392990  0.653117  1
  Fe  Fe230  1  0.296762  0.832632  0.699992  1
  Fe  Fe231  1  0.264400  0.532198  0.643693  1
  Fe  Fe232  1  0.490660  0.974346  0.690488  1
  Fe  Fe233  1  0.221190  0.480273  0.691281  1
  Fe  Fe234  1  0.014996  0.026399  0.642979  1
  Fe  Fe235  1  0.315170  0.393552  0.653641  1
  Fe  Fe236  1  0.548641  0.836836  0.700892  1
  Fe  Fe237  1  0.374869  0.575365  0.724514  1
  Fe  Fe238  1  0.184783  0.114584  0.675378  1
  Fe  Fe239  1  0.373900  0.252442  0.665010  1
  Fe  Fe240  1  0.604542  0.687151  0.710714  1
