# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51075072
_cell_length_b   23.60811686
_cell_length_c   49.18413553
_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   7559.92447292
_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  0.260403  0.558192  0.378875  1
  Al  Al2  1  0.257426  0.328853  0.309178  1
  Al  Al3  1  0.246772  0.942612  0.340637  1
  Al  Al4  1  0.999295  0.846575  0.350433  1
  Al  Al5  1  0.037336  0.615172  0.281980  1
  Al  Al6  1  0.979015  0.237298  0.320313  1
  Al  Al7  1  0.750757  0.827321  0.308031  1
  Al  Al8  1  0.756378  0.443881  0.340961  1
  Al  Al9  1  0.751178  0.058716  0.377462  1
  Al  Al10  1  0.487642  0.734034  0.317211  1
  Al  Al11  1  0.504630  0.347024  0.351141  1
  Al  Al12  1  0.500811  0.962429  0.387268  1
  Al  Al13  1  0.765183  0.631580  0.326603  1
  Al  Al14  1  0.739967  0.251759  0.360899  1
  Al  Al15  1  0.761255  0.018747  0.289891  1
  Al  Al16  1  0.494428  0.921817  0.298909  1
  Al  Al17  1  0.518439  0.540132  0.332604  1
  Al  Al18  1  0.500899  0.154889  0.368527  1
  Al  Al19  1  0.248443  0.750498  0.360557  1
  Al  Al20  1  0.275083  0.524061  0.290749  1
  Al  Al21  1  0.248391  0.136073  0.324420  1
  Al  Al22  1  0.009563  0.654360  0.369761  1
  Al  Al23  1  0.009513  0.423896  0.298764  1
  Al  Al24  1  0.006818  0.038725  0.332108  1
  Al  Al25  1  0.254097  0.404136  0.489858  1
  Al  Al26  1  0.250954  0.173313  0.415566  1
  Al  Al27  1  0.252914  0.789394  0.452587  1
  Al  Al28  1  0.004295  0.693109  0.461928  1
  Al  Al29  1  0.006778  0.462084  0.388052  1
  Al  Al30  1  1.001071  0.077392  0.424397  1
  Al  Al31  1  0.756027  0.673743  0.415790  1
  Al  Al32  1  0.752232  0.288723  0.452890  1
  Al  Al33  1  0.752001  0.904796  0.489545  1
  Al  Al34  1  0.506196  0.577427  0.425154  1
  Al  Al35  1  0.501752  0.192502  0.462017  1
  Al  Al36  1  0.502983  0.808657  0.498824  1
  Al  Al37  1  0.755340  0.481281  0.434385  1
  Al  Al38  1  0.751173  0.096554  0.471078  1
  Al  Al39  1  0.751523  0.866207  0.396830  1
  Al  Al40  1  0.502810  0.769981  0.406408  1
  Al  Al41  1  0.503733  0.385029  0.443693  1
  Al  Al42  1  0.501838  0.000746  0.480286  1
  Al  Al43  1  0.255117  0.596767  0.471282  1
  Al  Al44  1  0.254231  0.366291  0.397489  1
  Al  Al45  1  0.251248  0.981636  0.433719  1
  Al  Al46  1  0.004991  0.500444  0.480560  1
  Al  Al47  1  1.000101  0.269776  0.406740  1
  Al  Al48  1  1.001934  0.885645  0.443177  1
  Al  Al49  1  0.251523  0.250257  0.601158  1
  Al  Al50  1  0.251173  0.019910  0.526910  1
  Al  Al51  1  0.255340  0.635183  0.563603  1
  Al  Al52  1  0.006196  0.539037  0.572834  1
  Al  Al53  1  1.002983  0.307807  0.499164  1
  Al  Al54  1  1.001752  0.923963  0.535971  1
  Al  Al55  1  0.755117  0.519697  0.526706  1
  Al  Al56  1  0.751248  0.134828  0.564269  1
  Al  Al57  1  0.754231  0.750173  0.600499  1
  Al  Al58  1  0.504295  0.423355  0.536060  1
  Al  Al59  1  0.501071  0.039073  0.573591  1
  Al  Al60  1  0.506778  0.654380  0.609936  1
  Al  Al61  1  0.752914  0.327070  0.545401  1
  Al  Al62  1  0.750954  0.943152  0.582422  1
  Al  Al63  1  0.754097  0.712329  0.508130  1
  Al  Al64  1  0.504991  0.616020  0.517428  1
  Al  Al65  1  0.501934  0.230820  0.554811  1
  Al  Al66  1  0.500101  0.846688  0.591248  1
  Al  Al67  1  0.256027  0.442721  0.582198  1
  Al  Al68  1  0.252001  0.211668  0.508443  1
  Al  Al69  1  0.252232  0.827741  0.545098  1
  Al  Al70  1  1.002810  0.346483  0.591580  1
  Al  Al71  1  1.001838  0.115718  0.517702  1
  Al  Al72  1  0.003733  0.731435  0.554295  1
  Al  Al73  1  0.261255  0.097717  0.708097  1
  Al  Al74  1  0.239967  0.864705  0.637089  1
  Al  Al75  1  0.265183  0.484884  0.671385  1
  Al  Al76  1  0.987642  0.382430  0.680777  1
  Al  Al77  1  1.000811  0.154035  0.610720  1
  Al  Al78  1  0.004630  0.769440  0.646847  1
  Al  Al79  1  0.748443  0.365966  0.637431  1
  Al  Al80  1  0.748391  0.980392  0.673568  1
  Al  Al81  1  0.775083  0.592403  0.707239  1
  Al  Al82  1  0.499295  0.269889  0.647555  1
  Al  Al83  1  0.479015  0.879166  0.677675  1
  Al  Al84  1  0.537336  0.501293  0.716008  1
  Al  Al85  1  0.746772  0.173852  0.657351  1
  Al  Al86  1  0.757426  0.787611  0.688810  1
  Al  Al87  1  0.760403  0.558272  0.619113  1
  Al  Al88  1  0.509563  0.462104  0.628227  1
  Al  Al89  1  0.506818  0.077739  0.665880  1
  Al  Al90  1  0.509513  0.692568  0.699224  1
  Al  Al91  1  0.250757  0.289143  0.689957  1
  Al  Al92  1  0.251178  0.057748  0.620526  1
  Al  Al93  1  0.256378  0.672583  0.657027  1
  Al  Al94  1  0.994428  0.194647  0.699079  1
  Al  Al95  1  1.000899  0.961575  0.629461  1
  Al  Al96  1  0.018439  0.576332  0.665384  1
  Fe  Fe97  1  0.388850  0.645678  0.346217  1
  Fe  Fe98  1  0.376814  0.260442  0.383406  1
  Fe  Fe99  1  0.378654  0.027549  0.306771  1
  Fe  Fe100  1  0.632540  0.605930  0.375106  1
  Fe  Fe101  1  0.642842  0.376900  0.293496  1
  Fe  Fe102  1  0.625048  0.990920  0.337631  1
  Fe  Fe103  1  0.147129  0.587348  0.329338  1
  Fe  Fe104  1  0.125919  0.202699  0.365979  1
  Fe  Fe105  1  0.127311  0.971450  0.288353  1
  Fe  Fe106  1  0.885980  0.547250  0.355545  1
  Fe  Fe107  1  0.944482  0.307536  0.281598  1
  Fe  Fe108  1  0.874980  0.931161  0.316341  1
  Fe  Fe109  1  0.882745  0.760488  0.382455  1
  Fe  Fe110  1  0.892815  0.528922  0.307878  1
  Fe  Fe111  1  0.873543  0.146167  0.344740  1
  Fe  Fe112  1  0.123361  0.873690  0.297579  1
  Fe  Fe113  1  0.139126  0.490920  0.337839  1
  Fe  Fe114  1  0.122294  0.106205  0.373643  1
  Fe  Fe115  1  0.635348  0.702346  0.365467  1
  Fe  Fe116  1  0.633800  0.477926  0.288993  1
  Fe  Fe117  1  0.639427  0.087880  0.325664  1
  Fe  Fe118  1  0.426494  0.816805  0.280430  1
  Fe  Fe119  1  0.390559  0.431234  0.316411  1
  Fe  Fe120  1  0.377559  0.050435  0.353846  1
  Fe  Fe121  1  0.790421  0.699760  0.289189  1
  Fe  Fe122  1  0.866095  0.339940  0.327315  1
  Fe  Fe123  1  0.880010  0.951726  0.363472  1
  Fe  Fe124  1  0.122800  0.683618  0.319718  1
  Fe  Fe125  1  0.122925  0.300182  0.357327  1
  Fe  Fe126  1  0.114031  0.072493  0.282742  1
  Fe  Fe127  1  0.633964  0.509980  0.383582  1
  Fe  Fe128  1  0.616739  0.280930  0.307132  1
  Fe  Fe129  1  0.622137  0.894302  0.346560  1
  Fe  Fe130  1  0.411989  0.633531  0.298497  1
  Fe  Fe131  1  0.370822  0.241477  0.336610  1
  Fe  Fe132  1  0.372011  0.856919  0.373699  1
  Fe  Fe133  1  0.356719  0.834134  0.327432  1
  Fe  Fe134  1  0.390921  0.452261  0.363843  1
  Fe  Fe135  1  0.270176  0.223534  0.289899  1
  Fe  Fe136  1  0.621992  0.798661  0.356511  1
  Fe  Fe137  1  0.667353  0.581213  0.280287  1
  Fe  Fe138  1  0.606472  0.183984  0.316399  1
  Fe  Fe139  1  0.112709  0.774325  0.301304  1
  Fe  Fe140  1  0.131749  0.395700  0.347429  1
  Fe  Fe141  1  0.129264  0.009988  0.382309  1
  Fe  Fe142  1  0.872621  0.741896  0.334757  1
  Fe  Fe143  1  0.873541  0.357645  0.374026  1
  Fe  Fe144  1  0.916817  0.147388  0.295380  1
  Fe  Fe145  1  0.381350  0.490577  0.457290  1
  Fe  Fe146  1  0.376628  0.106144  0.494396  1
  Fe  Fe147  1  0.377379  0.876068  0.420019  1
  Fe  Fe148  1  0.629642  0.452345  0.485287  1
  Fe  Fe149  1  0.625538  0.221626  0.411270  1
  Fe  Fe150  1  0.627241  0.837450  0.447911  1
  Fe  Fe151  1  0.129820  0.433176  0.439020  1
  Fe  Fe152  1  0.126419  0.048664  0.475733  1
  Fe  Fe153  1  0.126999  0.818221  0.401906  1
  Fe  Fe154  1  0.878645  0.394603  0.466721  1
  Fe  Fe155  1  0.870865  0.163667  0.391874  1
  Fe  Fe156  1  0.876007  0.779552  0.429142  1
  Fe  Fe157  1  0.879559  0.606368  0.494410  1
  Fe  Fe158  1  0.879818  0.375394  0.420473  1
  Fe  Fe159  1  0.876880  0.991269  0.456903  1
  Fe  Fe160  1  0.128588  0.721913  0.411253  1
  Fe  Fe161  1  0.128286  0.336941  0.448363  1
  Fe  Fe162  1  0.126370  0.952720  0.484888  1
  Fe  Fe163  1  0.630088  0.548604  0.475911  1
  Fe  Fe164  1  0.626846  0.318129  0.402224  1
  Fe  Fe165  1  0.627716  0.933555  0.438396  1
  Fe  Fe166  1  0.380173  0.664380  0.392601  1
  Fe  Fe167  1  0.376296  0.279154  0.429754  1
  Fe  Fe168  1  0.377576  0.895387  0.466386  1
  Fe  Fe169  1  0.884696  0.567493  0.401880  1
  Fe  Fe170  1  0.877325  0.182720  0.438581  1
  Fe  Fe171  1  0.878780  0.799068  0.475552  1
  Fe  Fe172  1  0.131158  0.529445  0.429967  1
  Fe  Fe173  1  0.126775  0.144560  0.466558  1
  Fe  Fe174  1  0.124727  0.914256  0.392343  1
  Fe  Fe175  1  0.628181  0.356015  0.494485  1
  Fe  Fe176  1  0.625243  0.125467  0.420043  1
  Fe  Fe177  1  0.628988  0.741242  0.457344  1
  Fe  Fe178  1  0.377992  0.471921  0.410732  1
  Fe  Fe179  1  0.375519  0.086831  0.447723  1
  Fe  Fe180  1  0.379098  0.702804  0.485031  1
  Fe  Fe181  1  0.380184  0.683465  0.438836  1
  Fe  Fe182  1  0.377612  0.298135  0.476089  1
  Fe  Fe183  1  0.377176  0.068104  0.400883  1
  Fe  Fe184  1  0.629776  0.644946  0.466639  1
  Fe  Fe185  1  0.628837  0.414332  0.393187  1
  Fe  Fe186  1  0.625773  0.029532  0.429044  1
  Fe  Fe187  1  0.131557  0.625568  0.420488  1
  Fe  Fe188  1  0.126366  0.240661  0.457477  1
  Fe  Fe189  1  0.127997  0.856661  0.494181  1
  Fe  Fe190  1  0.880025  0.587238  0.448131  1
  Fe  Fe191  1  0.876350  0.201902  0.485134  1
  Fe  Fe192  1  0.875211  0.972576  0.410117  1
  Fe  Fe193  1  0.376007  0.336912  0.568846  1
  Fe  Fe194  1  0.370865  0.952797  0.606114  1
  Fe  Fe195  1  0.378645  0.721861  0.531267  1
  Fe  Fe196  1  0.626999  0.298243  0.596082  1
  Fe  Fe197  1  0.626419  0.067800  0.522255  1
  Fe  Fe198  1  0.629820  0.683288  0.558968  1
  Fe  Fe199  1  0.127241  0.279014  0.550077  1
  Fe  Fe200  1  0.125538  0.894838  0.586718  1
  Fe  Fe201  1  0.129642  0.664119  0.512701  1
  Fe  Fe202  1  0.877379  0.240396  0.577969  1
  Fe  Fe203  1  0.876628  0.010320  0.503592  1
  Fe  Fe204  1  0.881350  0.625887  0.540698  1
  Fe  Fe205  1  0.880173  0.452085  0.605387  1
  Fe  Fe206  1  0.877576  0.221077  0.531602  1
  Fe  Fe207  1  0.876296  0.837310  0.568234  1
  Fe  Fe208  1  0.130088  0.567860  0.522077  1
  Fe  Fe209  1  0.127716  0.182909  0.559592  1
  Fe  Fe210  1  0.126846  0.798335  0.595764  1
  Fe  Fe211  1  0.628588  0.394551  0.586735  1
  Fe  Fe212  1  0.626370  0.163744  0.513100  1
  Fe  Fe213  1  0.628286  0.779523  0.549625  1
  Fe  Fe214  1  0.379559  0.510096  0.503578  1
  Fe  Fe215  1  0.376880  0.125195  0.541085  1
  Fe  Fe216  1  0.379818  0.741070  0.577515  1
  Fe  Fe217  1  0.879098  0.413660  0.512957  1
  Fe  Fe218  1  0.875519  0.029633  0.550265  1
  Fe  Fe219  1  0.877992  0.644543  0.587256  1
  Fe  Fe220  1  0.128988  0.375222  0.540644  1
  Fe  Fe221  1  0.125243  0.990997  0.577945  1
  Fe  Fe222  1  0.128181  0.760449  0.503503  1
  Fe  Fe223  1  0.624727  0.202208  0.605645  1
  Fe  Fe224  1  0.626775  0.971904  0.531430  1
  Fe  Fe225  1  0.631158  0.587019  0.568021  1
  Fe  Fe226  1  0.378780  0.317396  0.522436  1
  Fe  Fe227  1  0.377325  0.933744  0.559407  1
  Fe  Fe228  1  0.384696  0.548972  0.596108  1
  Fe  Fe229  1  0.380025  0.529226  0.549857  1
  Fe  Fe230  1  0.375211  0.143888  0.587871  1
  Fe  Fe231  1  0.376350  0.914562  0.512854  1
  Fe  Fe232  1  0.631557  0.490896  0.577500  1
  Fe  Fe233  1  0.627997  0.259803  0.503807  1
  Fe  Fe234  1  0.626366  0.875803  0.540511  1
  Fe  Fe235  1  0.129776  0.471518  0.531349  1
  Fe  Fe236  1  0.125773  0.086933  0.568944  1
  Fe  Fe237  1  0.128837  0.702132  0.604801  1
  Fe  Fe238  1  0.880184  0.433000  0.559152  1
  Fe  Fe239  1  0.877176  0.048361  0.597105  1
  Fe  Fe240  1  0.877612  0.818329  0.521899  1
  Fe  Fe241  1  0.374980  0.185303  0.681647  1
  Fe  Fe242  1  0.444482  0.808929  0.716390  1
  Fe  Fe243  1  0.385980  0.569214  0.642443  1
  Fe  Fe244  1  0.627311  0.145015  0.709635  1
  Fe  Fe245  1  0.625919  0.913765  0.632009  1
  Fe  Fe246  1  0.647129  0.529116  0.668650  1
  Fe  Fe247  1  0.125048  0.125545  0.660357  1
  Fe  Fe248  1  0.142842  0.739565  0.704492  1
  Fe  Fe249  1  0.132540  0.510534  0.622882  1
  Fe  Fe250  1  0.878654  0.088916  0.691217  1
  Fe  Fe251  1  0.876814  0.856022  0.614582  1
  Fe  Fe252  1  0.888850  0.470787  0.651771  1
  Fe  Fe253  1  0.926494  0.299659  0.717558  1
  Fe  Fe254  1  0.877559  0.066029  0.644142  1
  Fe  Fe255  1  0.890559  0.685231  0.681577  1
  Fe  Fe256  1  0.135348  0.414118  0.632521  1
  Fe  Fe257  1  0.139427  0.028584  0.672324  1
  Fe  Fe258  1  0.133800  0.638539  0.708995  1
  Fe  Fe259  1  0.623361  0.242774  0.700409  1
  Fe  Fe260  1  0.622294  0.010259  0.624345  1
  Fe  Fe261  1  0.639126  0.625544  0.660149  1
  Fe  Fe262  1  0.382745  0.355976  0.615533  1
  Fe  Fe263  1  0.373543  0.970297  0.653248  1
  Fe  Fe264  1  0.392815  0.587542  0.690110  1
  Fe  Fe265  1  0.872011  0.259545  0.624289  1
  Fe  Fe266  1  0.870822  0.874987  0.661378  1
  Fe  Fe267  1  0.911989  0.482933  0.699491  1
  Fe  Fe268  1  0.122137  0.222163  0.651428  1
  Fe  Fe269  1  0.116739  0.835535  0.690856  1
  Fe  Fe270  1  0.133964  0.606484  0.614406  1
  Fe  Fe271  1  0.614031  0.043971  0.715246  1
  Fe  Fe272  1  0.622925  0.816282  0.640661  1
  Fe  Fe273  1  0.622800  0.432846  0.678270  1
  Fe  Fe274  1  0.380010  0.164738  0.634516  1
  Fe  Fe275  1  0.366095  0.776524  0.670673  1
  Fe  Fe276  1  0.290421  0.416704  0.708799  1
  Fe  Fe277  1  0.372621  0.374568  0.663231  1
  Fe  Fe278  1  0.416817  0.969077  0.702608  1
  Fe  Fe279  1  0.373541  0.758820  0.623962  1
  Fe  Fe280  1  0.612709  0.342139  0.696684  1
  Fe  Fe281  1  0.629264  0.106477  0.615679  1
  Fe  Fe282  1  0.631749  0.720764  0.650559  1
  Fe  Fe283  1  0.121992  0.317803  0.641477  1
  Fe  Fe284  1  0.106472  0.932480  0.681589  1
  Fe  Fe285  1  0.167353  0.535251  0.717701  1
  Fe  Fe286  1  0.856719  0.282331  0.670556  1
  Fe  Fe287  1  0.770176  0.892930  0.708089  1
  Fe  Fe288  1  0.890921  0.664203  0.634145  1
