# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57821783
_cell_length_b   20.92603555
_cell_length_c   56.18389678
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Fe
_chemical_formula_sum   'Al216 Fe36'
_cell_volume   8909.75784798
_cell_formula_units_Z   36
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  0.821916  0.952489  0.361170  1
  Al  Al2  1  0.821151  0.679456  0.408761  1
  Al  Al3  1  0.821942  0.242209  0.309854  1
  Al  Al4  1  0.002445  0.747549  0.292268  1
  Al  Al5  1  0.002445  0.477458  0.340356  1
  Al  Al6  1  0.002445  0.197702  0.385077  1
  Al  Al7  1  0.823838  0.855700  0.293077  1
  Al  Al8  1  0.820040  0.590520  0.337693  1
  Al  Al9  1  0.821905  0.312966  0.384314  1
  Al  Al10  1  0.002445  0.156931  0.429225  1
  Al  Al11  1  0.002445  0.705112  0.335091  1
  Al  Al12  1  0.002445  0.429099  0.382090  1
  Al  Al13  1  0.687489  0.960687  0.317211  1
  Al  Al14  1  0.689175  0.687388  0.363410  1
  Al  Al15  1  0.690130  0.412882  0.411103  1
  Al  Al16  1  0.181053  0.855700  0.293077  1
  Al  Al17  1  0.184851  0.590520  0.337693  1
  Al  Al18  1  0.182986  0.312966  0.384314  1
  Al  Al19  1  0.002445  0.873597  0.392254  1
  Al  Al20  1  0.002445  0.419598  0.298337  1
  Al  Al21  1  0.002445  0.150822  0.338613  1
  Al  Al22  1  0.815493  0.080588  0.382583  1
  Al  Al23  1  0.814834  0.807608  0.430045  1
  Al  Al24  1  0.815529  0.359232  0.335638  1
  Al  Al25  1  0.189398  0.080588  0.382583  1
  Al  Al26  1  0.190056  0.807608  0.430045  1
  Al  Al27  1  0.189362  0.359232  0.335638  1
  Al  Al28  1  0.816067  0.823034  0.339807  1
  Al  Al29  1  0.815122  0.550958  0.387507  1
  Al  Al30  1  0.816988  0.111591  0.297867  1
  Al  Al31  1  0.002445  0.030192  0.328319  1
  Al  Al32  1  0.002445  0.758067  0.377800  1
  Al  Al33  1  0.002445  0.483848  0.425351  1
  Al  Al34  1  0.182975  0.952489  0.361170  1
  Al  Al35  1  0.183740  0.679456  0.408761  1
  Al  Al36  1  0.182948  0.242209  0.309854  1
  Al  Al37  1  0.319947  0.082530  0.339222  1
  Al  Al38  1  0.322202  0.816101  0.384792  1
  Al  Al39  1  0.321209  0.365474  0.291823  1
  Al  Al40  1  0.502445  0.065948  0.411759  1
  Al  Al41  1  0.502445  0.609927  0.314272  1
  Al  Al42  1  0.502445  0.337918  0.364055  1
  Al  Al43  1  0.320880  0.179969  0.408137  1
  Al  Al44  1  0.319371  0.724863  0.314110  1
  Al  Al45  1  0.320607  0.454549  0.361362  1
  Al  Al46  1  0.502445  0.841497  0.309952  1
  Al  Al47  1  0.502445  0.567481  0.357453  1
  Al  Al48  1  0.502445  0.293741  0.406335  1
  Al  Al49  1  0.188824  0.823034  0.339807  1
  Al  Al50  1  0.189769  0.550958  0.387507  1
  Al  Al51  1  0.187903  0.111591  0.297867  1
  Al  Al52  1  0.684011  0.179969  0.408137  1
  Al  Al53  1  0.685520  0.724863  0.314110  1
  Al  Al54  1  0.684284  0.454549  0.361362  1
  Al  Al55  1  0.502445  0.008646  0.369159  1
  Al  Al56  1  0.502445  0.737063  0.415968  1
  Al  Al57  1  0.502445  0.289628  0.321189  1
  Al  Al58  1  0.314637  0.944423  0.406325  1
  Al  Al59  1  0.306894  0.489503  0.312491  1
  Al  Al60  1  0.312496  0.215899  0.355060  1
  Al  Al61  1  0.690254  0.944423  0.406325  1
  Al  Al62  1  0.697997  0.489503  0.312491  1
  Al  Al63  1  0.692395  0.215899  0.355060  1
  Al  Al64  1  0.317402  0.960687  0.317211  1
  Al  Al65  1  0.315716  0.687388  0.363410  1
  Al  Al66  1  0.314761  0.412882  0.411103  1
  Al  Al67  1  0.502445  0.894342  0.353006  1
  Al  Al68  1  0.502445  0.621354  0.401275  1
  Al  Al69  1  0.502445  0.170417  0.313137  1
  Al  Al70  1  0.684944  0.082530  0.339222  1
  Al  Al71  1  0.682688  0.816101  0.384792  1
  Al  Al72  1  0.683682  0.365474  0.291823  1
  Al  Al73  1  0.822168  0.130896  0.504422  1
  Al  Al74  1  0.822169  0.857312  0.552770  1
  Al  Al75  1  0.821826  0.404824  0.456237  1
  Al  Al76  1  0.002445  0.927781  0.435672  1
  Al  Al77  1  0.002445  0.653849  0.483219  1
  Al  Al78  1  0.002445  0.379962  0.530684  1
  Al  Al79  1  0.821450  0.042089  0.432697  1
  Al  Al80  1  0.821562  0.768186  0.480714  1
  Al  Al81  1  0.821710  0.494414  0.528061  1
  Al  Al82  1  0.002445  0.334114  0.572993  1
  Al  Al83  1  0.002445  0.882456  0.478119  1
  Al  Al84  1  0.002445  0.608865  0.525669  1
  Al  Al85  1  0.690088  0.139455  0.459211  1
  Al  Al86  1  0.690005  0.865700  0.507566  1
  Al  Al87  1  0.690195  0.591831  0.554953  1
  Al  Al88  1  0.183441  0.042089  0.432697  1
  Al  Al89  1  0.183329  0.768186  0.480714  1
  Al  Al90  1  0.183181  0.494414  0.528061  1
  Al  Al91  1  0.002445  0.052093  0.535729  1
  Al  Al92  1  0.002445  0.600123  0.439714  1
  Al  Al93  1  0.002445  0.325860  0.487320  1
  Al  Al94  1  0.815406  0.259267  0.525379  1
  Al  Al95  1  0.814871  0.985772  0.573778  1
  Al  Al96  1  0.814959  0.533753  0.477597  1
  Al  Al97  1  0.189484  0.259267  0.525379  1
  Al  Al98  1  0.190020  0.985772  0.573778  1
  Al  Al99  1  0.189932  0.533753  0.477597  1
  Al  Al100  1  0.815303  0.002706  0.483474  1
  Al  Al101  1  0.814854  0.728805  0.531375  1
  Al  Al102  1  0.814872  0.276298  0.435332  1
  Al  Al103  1  0.002445  0.209789  0.473168  1
  Al  Al104  1  0.002445  0.936185  0.521587  1
  Al  Al105  1  0.002445  0.662463  0.569246  1
  Al  Al106  1  0.182723  0.130896  0.504422  1
  Al  Al107  1  0.182721  0.857312  0.552770  1
  Al  Al108  1  0.183065  0.404824  0.456237  1
  Al  Al109  1  0.321679  0.267744  0.480334  1
  Al  Al110  1  0.321922  0.994159  0.528630  1
  Al  Al111  1  0.321740  0.542207  0.432534  1
  Al  Al112  1  0.502445  0.243013  0.554815  1
  Al  Al113  1  0.502445  0.790763  0.459462  1
  Al  Al114  1  0.502445  0.516993  0.506883  1
  Al  Al115  1  0.321231  0.357046  0.551845  1
  Al  Al116  1  0.321348  0.904950  0.456837  1
  Al  Al117  1  0.321621  0.631385  0.504435  1
  Al  Al118  1  0.502445  0.018962  0.453978  1
  Al  Al119  1  0.502445  0.745743  0.501964  1
  Al  Al120  1  0.502445  0.471387  0.549141  1
  Al  Al121  1  0.189588  0.002706  0.483474  1
  Al  Al122  1  0.190037  0.728805  0.531375  1
  Al  Al123  1  0.190019  0.276298  0.435332  1
  Al  Al124  1  0.683659  0.357046  0.551845  1
  Al  Al125  1  0.683543  0.904950  0.456837  1
  Al  Al126  1  0.683270  0.631385  0.504435  1
  Al  Al127  1  0.502445  0.188874  0.511487  1
  Al  Al128  1  0.502445  0.915306  0.559740  1
  Al  Al129  1  0.502445  0.463060  0.463472  1
  Al  Al130  1  0.314990  0.122376  0.549641  1
  Al  Al131  1  0.314933  0.670746  0.453845  1
  Al  Al132  1  0.314999  0.396589  0.501372  1
  Al  Al133  1  0.689901  0.122376  0.549641  1
  Al  Al134  1  0.689958  0.670746  0.453845  1
  Al  Al135  1  0.689891  0.396589  0.501372  1
  Al  Al136  1  0.314803  0.139455  0.459211  1
  Al  Al137  1  0.314886  0.865700  0.507566  1
  Al  Al138  1  0.314696  0.591831  0.554953  1
  Al  Al139  1  0.502445  0.072957  0.497379  1
  Al  Al140  1  0.502445  0.799333  0.545517  1
  Al  Al141  1  0.502445  0.346832  0.449381  1
  Al  Al142  1  0.683212  0.267744  0.480334  1
  Al  Al143  1  0.682969  0.994159  0.528630  1
  Al  Al144  1  0.683150  0.542207  0.432534  1
  Al  Al145  1  0.823585  0.309996  0.647381  1
  Al  Al146  1  0.822750  0.029646  0.697310  1
  Al  Al147  1  0.821538  0.582546  0.600124  1
  Al  Al148  1  0.002445  0.105337  0.579501  1
  Al  Al149  1  0.002445  0.833838  0.627242  1
  Al  Al150  1  0.002445  0.556214  0.674671  1
  Al  Al151  1  0.821218  0.219910  0.576071  1
  Al  Al152  1  0.820990  0.947965  0.625148  1
  Al  Al153  1  0.819940  0.670415  0.670781  1
  Al  Al154  1  0.002445  0.460713  0.706098  1
  Al  Al155  1  0.002445  0.062858  0.623157  1
  Al  Al156  1  0.002445  0.783523  0.668178  1
  Al  Al157  1  0.690134  0.317914  0.602403  1
  Al  Al158  1  0.689337  0.045207  0.653295  1
  Al  Al159  1  0.699554  0.768895  0.695259  1
  Al  Al160  1  0.183673  0.219910  0.576071  1
  Al  Al161  1  0.183901  0.947965  0.625148  1
  Al  Al162  1  0.184951  0.670415  0.670781  1
  Al  Al163  1  0.002445  0.233516  0.679584  1
  Al  Al164  1  0.002445  0.778533  0.583927  1
  Al  Al165  1  0.002445  0.503735  0.631703  1
  Al  Al166  1  0.809334  0.436036  0.667185  1
  Al  Al167  1  0.819617  0.155969  0.710853  1
  Al  Al168  1  0.815102  0.711523  0.621680  1
  Al  Al169  1  0.195557  0.436036  0.667185  1
  Al  Al170  1  0.185274  0.155969  0.710853  1
  Al  Al171  1  0.189789  0.711523  0.621680  1
  Al  Al172  1  0.816617  0.181089  0.626295  1
  Al  Al173  1  0.813783  0.904495  0.674761  1
  Al  Al174  1  0.815230  0.454566  0.578363  1
  Al  Al175  1  0.002445  0.388894  0.616373  1
  Al  Al176  1  0.002445  0.114114  0.668385  1
  Al  Al177  1  0.002445  0.840269  0.709649  1
  Al  Al178  1  0.181305  0.309996  0.647381  1
  Al  Al179  1  0.182141  0.029646  0.697310  1
  Al  Al180  1  0.183353  0.582546  0.600124  1
  Al  Al181  1  0.322557  0.446917  0.623154  1
  Al  Al182  1  0.319181  0.179543  0.669476  1
  Al  Al183  1  0.321873  0.720128  0.576532  1
  Al  Al184  1  0.502445  0.419695  0.698137  1
  Al  Al185  1  0.502445  0.968273  0.603109  1
  Al  Al186  1  0.502445  0.696167  0.651798  1
  Al  Al187  1  0.317962  0.535835  0.693710  1
  Al  Al188  1  0.321058  0.082173  0.600800  1
  Al  Al189  1  0.320495  0.809462  0.647610  1
  Al  Al190  1  0.502445  0.196256  0.597092  1
  Al  Al191  1  0.502445  0.925588  0.645900  1
  Al  Al192  1  0.502445  0.650066  0.694443  1
  Al  Al193  1  0.188274  0.181089  0.626295  1
  Al  Al194  1  0.191108  0.904495  0.674761  1
  Al  Al195  1  0.189661  0.454566  0.578363  1
  Al  Al196  1  0.686929  0.535835  0.693710  1
  Al  Al197  1  0.683833  0.082173  0.600800  1
  Al  Al198  1  0.684396  0.809462  0.647610  1
  Al  Al199  1  0.502445  0.367796  0.654629  1
  Al  Al200  1  0.502445  0.093349  0.694865  1
  Al  Al201  1  0.502445  0.641025  0.607867  1
  Al  Al202  1  0.318035  0.301846  0.690703  1
  Al  Al203  1  0.314820  0.849326  0.597884  1
  Al  Al204  1  0.315790  0.574549  0.645364  1
  Al  Al205  1  0.686855  0.301846  0.690703  1
  Al  Al206  1  0.690071  0.849326  0.597884  1
  Al  Al207  1  0.689101  0.574549  0.645364  1
  Al  Al208  1  0.314756  0.317914  0.602403  1
  Al  Al209  1  0.315554  0.045207  0.653295  1
  Al  Al210  1  0.305337  0.768895  0.695259  1
  Al  Al211  1  0.502445  0.253458  0.639761  1
  Al  Al212  1  0.502445  0.971645  0.689741  1
  Al  Al213  1  0.502445  0.525765  0.592362  1
  Al  Al214  1  0.682334  0.446917  0.623154  1
  Al  Al215  1  0.685710  0.179543  0.669476  1
  Al  Al216  1  0.683018  0.720128  0.576532  1
  Fe  Fe217  1  0.002445  0.991633  0.397992  1
  Fe  Fe218  1  0.002445  0.543518  0.303333  1
  Fe  Fe219  1  0.002445  0.266660  0.348478  1
  Fe  Fe220  1  0.002445  0.913650  0.324947  1
  Fe  Fe221  1  0.002445  0.639984  0.372312  1
  Fe  Fe222  1  0.002445  0.364809  0.419332  1
  Fe  Fe223  1  0.502445  0.129722  0.373543  1
  Fe  Fe224  1  0.502445  0.855337  0.421830  1
  Fe  Fe225  1  0.502445  0.405347  0.328008  1
  Fe  Fe226  1  0.502445  0.776712  0.348002  1
  Fe  Fe227  1  0.502445  0.503161  0.395772  1
  Fe  Fe228  1  0.502445  0.054746  0.302290  1
  Fe  Fe229  1  0.002445  0.170156  0.541460  1
  Fe  Fe230  1  0.002445  0.718546  0.445663  1
  Fe  Fe231  1  0.002445  0.444400  0.493079  1
  Fe  Fe232  1  0.002445  0.091785  0.467314  1
  Fe  Fe233  1  0.002445  0.817871  0.515761  1
  Fe  Fe234  1  0.002445  0.544075  0.563127  1
  Fe  Fe235  1  0.502445  0.307322  0.517066  1
  Fe  Fe236  1  0.502445  0.033689  0.565587  1
  Fe  Fe237  1  0.502445  0.581605  0.469393  1
  Fe  Fe238  1  0.502445  0.954648  0.491727  1
  Fe  Fe239  1  0.502445  0.681008  0.539515  1
  Fe  Fe240  1  0.502445  0.228189  0.443541  1
  Fe  Fe241  1  0.002445  0.350462  0.684590  1
  Fe  Fe242  1  0.002445  0.897469  0.589818  1
  Fe  Fe243  1  0.002445  0.621499  0.636632  1
  Fe  Fe244  1  0.002445  0.270445  0.610688  1
  Fe  Fe245  1  0.002445  0.996060  0.660094  1
  Fe  Fe246  1  0.002445  0.716146  0.705020  1
  Fe  Fe247  1  0.502445  0.485033  0.659978  1
  Fe  Fe248  1  0.502445  0.208433  0.706196  1
  Fe  Fe249  1  0.502445  0.759306  0.613380  1
  Fe  Fe250  1  0.502445  0.132646  0.635350  1
  Fe  Fe251  1  0.502445  0.855868  0.681567  1
  Fe  Fe252  1  0.502445  0.406849  0.586612  1
