# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.22688260
_cell_length_b   14.11526145
_cell_length_c   51.80258344
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.51581909
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al162 Fe162'
_cell_volume   9653.38641429
_cell_formula_units_Z   162
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  0.250330  0.179089  0.269171  1
  Al  Al2  1  0.324447  0.660694  0.283132  1
  Al  Al3  1  0.509605  0.642732  0.297643  1
  Al  Al4  1  0.583544  0.851985  0.267841  1
  Al  Al5  1  0.225933  0.527992  0.254404  1
  Al  Al6  1  0.418220  0.501511  0.268525  1
  Al  Al7  1  0.478260  1.001184  0.283637  1
  Al  Al8  1  0.660739  0.974188  0.301208  1
  Al  Al9  1  0.796414  1.024590  0.268163  1
  Al  Al10  1  0.770716  0.828187  0.282293  1
  Al  Al11  1  0.977474  0.640798  0.299667  1
  Al  Al12  1  0.132659  0.686954  0.269344  1
  Al  Al13  1  0.646179  0.350971  0.283863  1
  Al  Al14  1  0.752695  0.207047  0.266201  1
  Al  Al15  1  0.958429  0.357408  0.269149  1
  Al  Al16  1  0.985984  1.003756  0.282003  1
  Al  Al17  1  0.060247  0.204795  0.254590  1
  Al  Al18  1  0.157480  0.345042  0.280881  1
  Al  Al19  1  0.342760  0.941374  0.316112  1
  Al  Al20  1  0.360673  0.587274  0.330572  1
  Al  Al21  1  0.542372  0.562294  0.346054  1
  Al  Al22  1  0.690614  0.622409  0.312618  1
  Al  Al23  1  0.342861  0.320278  0.295499  1
  Al  Al24  1  0.510361  0.276781  0.314678  1
  Al  Al25  1  0.520676  0.918464  0.332544  1
  Al  Al26  1  0.704718  0.891928  0.347021  1
  Al  Al27  1  0.846341  0.950843  0.315504  1
  Al  Al28  1  0.853911  0.586025  0.335243  1
  Al  Al29  1  1.036556  0.557995  0.346656  1
  Al  Al30  1  0.174685  0.614758  0.314658  1
  Al  Al31  1  0.683609  0.253401  0.332958  1
  Al  Al32  1  0.825085  0.309522  0.302989  1
  Al  Al33  1  1.014222  0.280724  0.314510  1
  Al  Al34  1  1.023317  0.922054  0.332212  1
  Al  Al35  1  0.166616  0.971305  0.297844  1
  Al  Al36  1  0.195559  0.254007  0.328320  1
  Al  Al37  1  0.378730  0.866386  0.365728  1
  Al  Al38  1  0.395089  0.495814  0.377427  1
  Al  Al39  1  0.569852  0.492343  0.398487  1
  Al  Al40  1  0.713407  0.535337  0.366860  1
  Al  Al41  1  0.369970  0.223609  0.345962  1
  Al  Al42  1  0.544948  0.202360  0.366323  1
  Al  Al43  1  0.556810  0.827594  0.377976  1
  Al  Al44  1  0.733425  0.828053  0.397354  1
  Al  Al45  1  0.882118  0.871289  0.365821  1
  Al  Al46  1  0.891742  0.497951  0.380557  1
  Al  Al47  1  0.073092  0.483301  0.395318  1
  Al  Al48  1  0.217217  0.533234  0.363756  1
  Al  Al49  1  0.722567  0.163710  0.379341  1
  Al  Al50  1  0.868053  0.225528  0.347260  1
  Al  Al51  1  0.048078  0.202464  0.364176  1
  Al  Al52  1  0.057707  0.828385  0.379516  1
  Al  Al53  1  0.200958  0.889593  0.347282  1
  Al  Al54  1  0.223942  0.162734  0.377181  1
  Al  Al55  1  0.401327  0.761799  0.414400  1
  Al  Al56  1  0.419623  0.441006  0.427970  1
  Al  Al57  1  0.586528  0.375376  0.443944  1
  Al  Al58  1  0.739030  0.432416  0.415740  1
  Al  Al59  1  0.399341  0.158634  0.397733  1
  Al  Al60  1  0.565655  0.097889  0.414787  1
  Al  Al61  1  0.583451  0.775948  0.426908  1
  Al  Al62  1  0.746467  0.715832  0.443834  1
  Al  Al63  1  0.901828  0.767504  0.413354  1
  Al  Al64  1  0.924063  0.432471  0.427914  1
  Al  Al65  1  0.094270  0.371307  0.442601  1
  Al  Al66  1  0.239995  0.427024  0.411542  1
  Al  Al67  1  0.748436  0.106729  0.427911  1
  Al  Al68  1  0.900852  0.158764  0.397683  1
  Al  Al69  1  0.065994  0.098006  0.415003  1
  Al  Al70  1  0.083119  0.766586  0.429359  1
  Al  Al71  1  0.233425  0.821848  0.397867  1
  Al  Al72  1  0.249267  0.104623  0.426486  1
  Al  Al73  1  0.348148  0.778706  0.482819  1
  Al  Al74  1  0.376811  0.355857  0.471646  1
  Al  Al75  1  0.464685  0.434935  0.511864  1
  Al  Al76  1  0.686065  0.447919  0.483927  1
  Al  Al77  1  0.417202  1.039671  0.443009  1
  Al  Al78  1  0.505077  0.118750  0.483228  1
  Al  Al79  1  0.533739  0.695900  0.472055  1
  Al  Al80  1  0.628141  0.769161  0.511812  1
  Al  Al81  1  0.926010  0.685257  0.458516  1
  Al  Al82  1  0.873034  0.355631  0.472209  1
  Al  Al83  1  0.966558  0.431721  0.511430  1
  Al  Al84  1  0.192755  0.444062  0.482498  1
  Al  Al85  1  0.689132  1.030544  0.472376  1
  Al  Al86  1  0.915330  1.042885  0.443443  1
  Al  Al87  1  1.008853  0.118976  0.482665  1
  Al  Al88  1  0.955877  0.789350  0.496358  1
  Al  Al89  1  0.253746  0.705445  0.443062  1
  Al  Al90  1  0.195822  1.026687  0.470946  1
  Al  Al91  1  0.298436  0.698658  0.527966  1
  Al  Al92  1  0.316232  0.376717  0.540086  1
  Al  Al93  1  0.482546  0.315972  0.557140  1
  Al  Al94  1  0.632621  0.369983  0.528388  1
  Al  Al95  1  0.295360  0.099231  0.510930  1
  Al  Al96  1  0.462265  1.033600  0.526903  1
  Al  Al97  1  0.480561  0.712807  0.540474  1
  Al  Al98  1  0.648462  0.652758  0.557006  1
  Al  Al99  1  0.798768  0.708020  0.525515  1
  Al  Al100  1  0.815894  0.376600  0.539871  1
  Al  Al101  1  0.981036  0.315843  0.557191  1
  Al  Al102  1  0.133451  0.367877  0.526962  1
  Al  Al103  1  0.641892  1.047582  0.543332  1
  Al  Al104  1  0.787618  0.103300  0.512272  1
  Al  Al105  1  0.957825  1.042135  0.526960  1
  Al  Al106  1  0.980060  0.707102  0.541519  1
  Al  Al107  1  0.135421  0.758774  0.511039  1
  Al  Al108  1  0.142858  1.042190  0.539134  1
  Al  Al109  1  0.325077  0.647012  0.576898  1
  Al  Al110  1  0.336940  0.272246  0.588551  1
  Al  Al111  1  0.511918  0.250997  0.608912  1
  Al  Al112  1  0.657945  0.311872  0.577692  1
  Al  Al113  1  0.312035  0.982264  0.556387  1
  Al  Al114  1  0.486799  0.978793  0.577446  1
  Al  Al115  1  0.503158  0.608220  0.589145  1
  Al  Al116  1  0.680930  0.585013  0.607591  1
  Al  Al117  1  0.824180  0.646221  0.575358  1
  Al  Al118  1  0.833809  0.272142  0.590697  1
  Al  Al119  1  1.013834  0.249078  0.607613  1
  Al  Al120  1  0.159320  0.310896  0.575532  1
  Al  Al121  1  0.664671  0.941372  0.591117  1
  Al  Al122  1  0.808795  0.991305  0.559556  1
  Al  Al123  1  0.990146  0.976655  0.574316  1
  Al  Al124  1  0.999769  0.603317  0.589053  1
  Al  Al125  1  0.148462  0.646554  0.557520  1
  Al  Al126  1  0.168481  0.939269  0.588013  1
  Al  Al127  1  0.361212  0.556142  0.622330  1
  Al  Al128  1  0.371527  0.197825  0.640195  1
  Al  Al129  1  0.539026  0.154328  0.659374  1
  Al  Al130  1  0.686328  0.220600  0.626554  1
  Al  Al131  1  0.339515  0.912313  0.608819  1
  Al  Al132  1  0.521215  0.887332  0.624302  1
  Al  Al133  1  0.539128  0.533232  0.638762  1
  Al  Al134  1  0.715272  0.503301  0.657029  1
  Al  Al135  1  0.858570  0.552552  0.622662  1
  Al  Al136  1  0.867666  0.193882  0.640363  1
  Al  Al137  1  0.056803  0.165084  0.651884  1
  Al  Al138  1  0.198278  0.221205  0.621915  1
  Al  Al139  1  0.707203  0.859848  0.640215  1
  Al  Al140  1  0.845332  0.916611  0.608218  1
  Al  Al141  1  1.027977  0.888582  0.619630  1
  Al  Al142  1  1.035547  0.523763  0.639370  1
  Al  Al143  1  0.177169  0.582678  0.607853  1
  Al  Al144  1  0.191273  0.852197  0.642255  1
  Al  Al145  1  0.403627  0.473422  0.671236  1
  Al  Al146  1  0.463668  0.973096  0.686348  1
  Al  Al147  1  0.655954  0.946614  0.700470  1
  Al  Al148  1  0.724407  0.129564  0.673992  1
  Al  Al149  1  0.372282  0.831874  0.657231  1
  Al  Al150  1  0.557441  0.813913  0.671742  1
  Al  Al151  1  0.631557  0.295517  0.685702  1
  Al  Al152  1  0.821641  0.269812  0.700283  1
  Al  Al153  1  0.895903  0.470850  0.672871  1
  Al  Al154  1  0.923459  0.117198  0.685724  1
  Al  Al155  1  0.129193  0.267560  0.688673  1
  Al  Al156  1  0.235708  0.123635  0.671011  1
  Al  Al157  1  0.749229  0.787652  0.685529  1
  Al  Al158  1  0.904413  0.833808  0.655207  1
  Al  Al159  1  0.111171  0.646419  0.672580  1
  Al  Al160  1  0.085474  0.450017  0.686711  1
  Al  Al161  1  0.221148  0.500418  0.653666  1
  Al  Al162  1  0.298343  0.622621  0.687032  1
  Fe  Fe163  1  0.294271  0.113476  0.311547  1
  Fe  Fe164  1  0.261253  0.827466  0.282510  1
  Fe  Fe165  1  0.440583  0.809822  0.297236  1
  Fe  Fe166  1  0.622647  0.789509  0.312557  1
  Fe  Fe167  1  0.273115  0.481814  0.298639  1
  Fe  Fe168  1  0.467399  0.454347  0.312155  1
  Fe  Fe169  1  0.471553  0.093334  0.326515  1
  Fe  Fe170  1  0.608967  0.145800  0.295411  1
  Fe  Fe171  1  0.781389  0.121334  0.311611  1
  Fe  Fe172  1  0.812141  0.765820  0.326659  1
  Fe  Fe173  1  0.956214  0.822424  0.294904  1
  Fe  Fe174  1  0.120471  0.784897  0.311758  1
  Fe  Fe175  1  0.644620  0.433171  0.326935  1
  Fe  Fe176  1  0.786831  0.482724  0.296354  1
  Fe  Fe177  1  0.951217  0.450932  0.313253  1
  Fe  Fe178  1  0.920102  0.169791  0.284348  1
  Fe  Fe179  1  0.105130  0.140711  0.297892  1
  Fe  Fe180  1  0.080061  0.505125  0.283655  1
  Fe  Fe181  1  0.322172  1.041407  0.355629  1
  Fe  Fe182  1  0.300702  0.758747  0.326500  1
  Fe  Fe183  1  0.477822  0.734548  0.340670  1
  Fe  Fe184  1  0.660800  0.710083  0.355214  1
  Fe  Fe185  1  0.316206  0.400632  0.339801  1
  Fe  Fe186  1  0.495238  0.376041  0.355211  1
  Fe  Fe187  1  0.489892  1.024831  0.371984  1
  Fe  Fe188  1  0.642204  1.069446  0.342051  1
  Fe  Fe189  1  0.820482  1.045054  0.355735  1
  Fe  Fe190  1  0.825999  0.692202  0.373525  1
  Fe  Fe191  1  0.980388  0.736730  0.341656  1
  Fe  Fe192  1  0.157396  0.708628  0.356224  1
  Fe  Fe193  1  0.660741  0.357199  0.373345  1
  Fe  Fe194  1  0.810015  0.402630  0.343714  1
  Fe  Fe195  1  0.989119  0.376730  0.356034  1
  Fe  Fe196  1  0.966027  0.095906  0.326513  1
  Fe  Fe197  1  0.145358  1.067907  0.340328  1
  Fe  Fe198  1  0.134198  0.427524  0.326019  1
  Fe  Fe199  1  0.328733  0.983725  0.400457  1
  Fe  Fe200  1  0.329214  0.687759  0.371710  1
  Fe  Fe201  1  0.499456  0.655405  0.385004  1
  Fe  Fe202  1  0.669774  0.653190  0.401486  1
  Fe  Fe203  1  0.333008  0.320847  0.383643  1
  Fe  Fe204  1  0.497896  0.320050  0.401172  1
  Fe  Fe205  1  0.485439  0.924284  0.411163  1
  Fe  Fe206  1  0.657604  0.989671  0.384956  1
  Fe  Fe207  1  0.827252  0.988679  0.400467  1
  Fe  Fe208  1  0.829287  0.596250  0.415502  1
  Fe  Fe209  1  0.996086  0.656051  0.384461  1
  Fe  Fe210  1  0.167141  0.647231  0.400567  1
  Fe  Fe211  1  0.652838  0.259217  0.412839  1
  Fe  Fe212  1  0.829862  0.323162  0.386054  1
  Fe  Fe213  1  1.000593  0.314505  0.400431  1
  Fe  Fe214  1  0.991971  1.028614  0.371477  1
  Fe  Fe215  1  0.159297  0.990585  0.384706  1
  Fe  Fe216  1  0.164277  0.352152  0.369534  1
  Fe  Fe217  1  0.311585  0.885812  0.441339  1
  Fe  Fe218  1  0.326181  0.589388  0.411904  1
  Fe  Fe219  1  0.492296  0.612278  0.430549  1
  Fe  Fe220  1  0.653630  0.554305  0.442425  1
  Fe  Fe221  1  0.318168  0.279114  0.429783  1
  Fe  Fe222  1  0.478300  0.222371  0.442137  1
  Fe  Fe223  1  0.484539  0.869123  0.456173  1
  Fe  Fe224  1  0.650022  0.946640  0.430457  1
  Fe  Fe225  1  0.812390  0.889251  0.440884  1
  Fe  Fe226  1  0.827220  0.526618  0.458199  1
  Fe  Fe227  1  1.005069  0.595205  0.427035  1
  Fe  Fe228  1  0.162568  0.543225  0.440602  1
  Fe  Fe229  1  0.652258  0.205009  0.458031  1
  Fe  Fe230  1  0.817464  0.276512  0.430689  1
  Fe  Fe231  1  0.978143  0.223507  0.442086  1
  Fe  Fe232  1  0.983818  0.929283  0.410738  1
  Fe  Fe233  1  0.149804  0.941413  0.429476  1
  Fe  Fe234  1  0.156004  0.256498  0.410669  1
  Fe  Fe235  1  0.368478  0.966418  0.484314  1
  Fe  Fe236  1  0.334189  0.542508  0.458244  1
  Fe  Fe237  1  0.513409  0.508188  0.470559  1
  Fe  Fe238  1  0.709578  0.634270  0.484630  1
  Fe  Fe239  1  0.331850  0.169200  0.468335  1
  Fe  Fe240  1  0.550037  0.305406  0.486539  1
  Fe  Fe241  1  0.547698  0.932098  0.496629  1
  Fe  Fe242  1  0.674014  0.844301  0.470476  1
  Fe  Fe243  1  0.865670  0.967716  0.485418  1
  Fe  Fe244  1  0.894549  0.595951  0.499376  1
  Fe  Fe245  1  1.016218  0.506890  0.469456  1
  Fe  Fe246  1  0.207873  0.630306  0.484397  1
  Fe  Fe247  1  0.729566  0.273314  0.498487  1
  Fe  Fe248  1  0.832400  0.169822  0.469760  1
  Fe  Fe249  1  0.049488  0.304785  0.485114  1
  Fe  Fe250  1  0.987339  0.878655  0.455498  1
  Fe  Fe251  1  0.172309  0.840336  0.470243  1
  Fe  Fe252  1  0.152321  0.201292  0.456387  1
  Fe  Fe253  1  0.389592  0.862328  0.524325  1
  Fe  Fe254  1  0.397348  0.605483  0.498700  1
  Fe  Fe255  1  0.570302  0.588794  0.513534  1
  Fe  Fe256  1  0.732083  0.533193  0.525397  1
  Fe  Fe257  1  0.403588  0.252235  0.512737  1
  Fe  Fe258  1  0.563719  0.195492  0.525091  1
  Fe  Fe259  1  0.555706  0.885218  0.542969  1
  Fe  Fe260  1  0.719320  0.931381  0.514271  1
  Fe  Fe261  1  0.876818  0.879402  0.527838  1
  Fe  Fe262  1  0.898069  0.545323  0.544135  1
  Fe  Fe263  1  0.069498  0.585355  0.513989  1
  Fe  Fe264  1  0.231865  0.527966  0.524416  1
  Fe  Fe265  1  0.725883  0.218109  0.544205  1
  Fe  Fe266  1  0.903745  0.251099  0.512787  1
  Fe  Fe267  1  0.064424  0.198094  0.524185  1
  Fe  Fe268  1  0.054667  0.947989  0.496675  1
  Fe  Fe269  1  0.228258  0.920301  0.512449  1
  Fe  Fe270  1  0.229630  0.269597  0.496842  1
  Fe  Fe271  1  0.382432  0.819201  0.569869  1
  Fe  Fe272  1  0.396449  0.550323  0.543710  1
  Fe  Fe273  1  0.553155  0.490881  0.554416  1
  Fe  Fe274  1  0.722590  0.484021  0.570167  1
  Fe  Fe275  1  0.383992  0.154556  0.553701  1
  Fe  Fe276  1  0.548879  0.153759  0.571231  1
  Fe  Fe277  1  0.552673  0.786847  0.583164  1
  Fe  Fe278  1  0.714747  0.827375  0.554306  1
  Fe  Fe279  1  0.885802  0.818556  0.570412  1
  Fe  Fe280  1  0.889917  0.445992  0.583397  1
  Fe  Fe281  1  0.054636  0.485927  0.554407  1
  Fe  Fe282  1  0.224284  0.484935  0.569918  1
  Fe  Fe283  1  0.717610  0.122454  0.585339  1
  Fe  Fe284  1  0.881294  0.160102  0.554442  1
  Fe  Fe285  1  0.052026  0.151444  0.568820  1
  Fe  Fe286  1  0.052601  0.878356  0.539372  1
  Fe  Fe287  1  0.212113  0.821416  0.553388  1
  Fe  Fe288  1  0.229049  0.215389  0.542034  1
  Fe  Fe289  1  0.404066  0.740058  0.614204  1
  Fe  Fe290  1  0.391996  0.449775  0.582889  1
  Fe  Fe291  1  0.559716  0.433199  0.599244  1
  Fe  Fe292  1  0.736530  0.406700  0.614546  1
  Fe  Fe293  1  0.386650  0.098565  0.599663  1
  Fe  Fe294  1  0.565682  1.073974  0.615072  1
  Fe  Fe295  1  0.581186  0.715859  0.628373  1
  Fe  Fe296  1  0.724492  0.765978  0.598650  1
  Fe  Fe297  1  0.901500  0.737876  0.613218  1
  Fe  Fe298  1  0.915861  0.378700  0.628361  1
  Fe  Fe299  1  0.061406  0.429552  0.599139  1
  Fe  Fe300  1  0.239683  0.405160  0.612823  1
  Fe  Fe301  1  0.747690  1.047082  0.628855  1
  Fe  Fe302  1  0.892769  0.097876  0.598840  1
  Fe  Fe303  1  0.071872  1.071977  0.611159  1
  Fe  Fe304  1  0.055888  0.782404  0.581349  1
  Fe  Fe305  1  0.221088  0.764523  0.599660  1
  Fe  Fe306  1  0.221147  0.117408  0.581528  1
  Fe  Fe307  1  0.441305  0.664784  0.657637  1
  Fe  Fe308  1  0.410335  0.381272  0.628359  1
  Fe  Fe309  1  0.587616  0.361130  0.643327  1
  Fe  Fe310  1  0.776757  0.333895  0.656982  1
  Fe  Fe311  1  0.414489  1.020260  0.642718  1
  Fe  Fe312  1  0.608772  0.992792  0.656234  1
  Fe  Fe313  1  0.620635  0.647140  0.672363  1
  Fe  Fe314  1  0.761416  0.689709  0.643115  1
  Fe  Fe315  1  0.925673  0.652182  0.659969  1
  Fe  Fe316  1  0.961785  0.304815  0.670526  1
  Fe  Fe317  1  0.100499  0.353272  0.643262  1
  Fe  Fe318  1  0.272921  0.328806  0.659463  1
  Fe  Fe319  1  0.801826  0.969481  0.671219  1
  Fe  Fe320  1  0.930671  1.023674  0.641620  1
  Fe  Fe321  1  0.095057  0.991882  0.658520  1
  Fe  Fe322  1  0.069746  0.708786  0.628215  1
  Fe  Fe323  1  0.259241  0.685097  0.642317  1
  Fe  Fe324  1  0.237267  1.041435  0.627939  1
