# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.73565768
_cell_length_b   11.58731314
_cell_length_c   47.40346931
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.58297362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Fe
_chemical_formula_sum   'Al192 Fe32'
_cell_volume   7625.80539919
_cell_formula_units_Z   32
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  0.785474  0.927575  0.339165  1
  Al  Al2  1  0.197438  0.115754  0.286378  1
  Al  Al3  1  0.555507  0.402402  0.314436  1
  Al  Al4  1  0.145760  0.235246  0.368518  1
  Al  Al5  1  0.672935  0.601834  0.288353  1
  Al  Al6  1  0.281453  0.426097  0.340687  1
  Al  Al7  1  0.869476  0.636940  0.293138  1
  Al  Al8  1  0.473449  0.487681  0.352062  1
  Al  Al9  1  0.792660  0.843819  0.288410  1
  Al  Al10  1  0.380279  0.665674  0.342593  1
  Al  Al11  1  0.744927  0.467742  0.325898  1
  Al  Al12  1  0.340559  0.296431  0.380902  1
  Al  Al13  1  0.497385  0.208003  0.281886  1
  Al  Al14  1  0.096061  0.037467  0.334737  1
  Al  Al15  1  0.949036  0.141803  0.348036  1
  Al  Al16  1  0.363602  0.322175  0.297270  1
  Al  Al17  1  0.829494  0.364560  0.286931  1
  Al  Al18  1  0.426682  0.187738  0.337090  1
  Al  Al19  1  0.610915  0.717721  0.330453  1
  Al  Al20  1  0.193841  0.534641  0.383185  1
  Al  Al21  1  0.940878  0.851148  0.325394  1
  Al  Al22  1  0.525199  0.686134  0.385305  1
  Al  Al23  1  0.848467  0.800890  0.378516  1
  Al  Al24  1  0.262841  0.979329  0.322717  1
  Al  Al25  1  0.069410  0.836473  0.367384  1
  Al  Al26  1  0.475451  0.005507  0.311930  1
  Al  Al27  1  0.853141  0.320081  0.340858  1
  Al  Al28  1  0.278995  0.496755  0.287149  1
  Al  Al29  1  0.982767  0.516765  0.313622  1
  Al  Al30  1  0.573971  0.337310  0.367527  1
  Al  Al31  1  0.767795  0.400095  0.379177  1
  Al  Al32  1  0.178921  0.571420  0.323492  1
  Al  Al33  1  0.672068  0.581175  0.370068  1
  Al  Al34  1  0.095883  0.763193  0.315234  1
  Al  Al35  1  0.045932  0.385618  0.352418  1
  Al  Al36  1  0.468411  0.564593  0.298794  1
  Al  Al37  1  0.807698  0.126575  0.305533  1
  Al  Al38  1  0.389078  0.950375  0.362431  1
  Al  Al39  1  0.653274  0.219339  0.317735  1
  Al  Al40  1  0.240384  0.049799  0.376723  1
  Al  Al41  1  0.720667  0.098425  0.361499  1
  Al  Al42  1  0.135159  0.280347  0.311211  1
  Al  Al43  1  0.900342  0.619748  0.354075  1
  Al  Al44  1  0.309325  0.784829  0.304409  1
  Al  Al45  1  0.647214  0.947178  0.302906  1
  Al  Al46  1  0.231926  0.772790  0.357032  1
  Al  Al47  1  0.967900  0.063277  0.296069  1
  Al  Al48  1  0.547725  0.887705  0.352005  1
  Al  Al49  1  0.950666  0.574417  0.451317  1
  Al  Al50  1  0.364265  0.749798  0.395423  1
  Al  Al51  1  0.733699  0.059428  0.423599  1
  Al  Al52  1  0.320677  0.885956  0.479956  1
  Al  Al53  1  0.865951  0.249345  0.395074  1
  Al  Al54  1  0.453461  0.075323  0.451047  1
  Al  Al55  1  0.059575  0.312504  0.406977  1
  Al  Al56  1  0.646795  0.136952  0.462469  1
  Al  Al57  1  0.965634  0.493730  0.397974  1
  Al  Al58  1  0.553351  0.318276  0.453760  1
  Al  Al59  1  0.927144  0.121758  0.435555  1
  Al  Al60  1  0.514161  0.947093  0.491510  1
  Al  Al61  1  0.684039  0.863716  0.389180  1
  Al  Al62  1  0.268268  0.688910  0.446305  1
  Al  Al63  1  0.120395  0.791690  0.460972  1
  Al  Al64  1  0.534921  0.967173  0.404881  1
  Al  Al65  1  0.014222  0.014096  0.391262  1
  Al  Al66  1  0.600072  0.838119  0.447126  1
  Al  Al67  1  0.780393  0.359759  0.439332  1
  Al  Al68  1  0.366898  0.184294  0.495298  1
  Al  Al69  1  0.111567  0.509355  0.440618  1
  Al  Al70  1  0.698409  0.333872  0.496304  1
  Al  Al71  1  0.014758  0.447862  0.491362  1
  Al  Al72  1  0.428620  0.623139  0.435783  1
  Al  Al73  1  0.244436  0.487090  0.479265  1
  Al  Al74  1  0.658990  0.663282  0.423153  1
  Al  Al75  1  0.026869  0.973234  0.451931  1
  Al  Al76  1  0.441381  0.147185  0.396213  1
  Al  Al77  1  0.159764  0.162685  0.423150  1
  Al  Al78  1  0.746175  0.987975  0.478853  1
  Al  Al79  1  0.939172  0.049387  0.490599  1
  Al  Al80  1  0.353522  0.223792  0.435014  1
  Al  Al81  1  0.845867  0.230768  0.481773  1
  Al  Al82  1  0.258828  0.405834  0.426146  1
  Al  Al83  1  0.220381  0.034467  0.463691  1
  Al  Al84  1  0.635306  0.209539  0.407372  1
  Al  Al85  1  0.975542  0.776243  0.418427  1
  Al  Al86  1  0.562000  0.601215  0.474008  1
  Al  Al87  1  0.827428  0.878463  0.432317  1
  Al  Al88  1  0.414042  0.704433  0.488843  1
  Al  Al89  1  0.892959  0.750848  0.475271  1
  Al  Al90  1  0.306818  0.925840  0.419507  1
  Al  Al91  1  0.073310  0.271940  0.467357  1
  Al  Al92  1  0.487773  0.447567  0.411817  1
  Al  Al93  1  0.818976  0.597931  0.412074  1
  Al  Al94  1  0.405215  0.421306  0.468583  1
  Al  Al95  1  0.135771  0.710997  0.407677  1
  Al  Al96  1  0.722739  0.536270  0.463274  1
  Al  Al97  1  0.124220  0.224263  0.562676  1
  Al  Al98  1  0.538082  0.399539  0.507097  1
  Al  Al99  1  0.906045  0.710450  0.535990  1
  Al  Al100  1  0.493266  0.534898  0.591482  1
  Al  Al101  1  0.038679  0.900308  0.506949  1
  Al  Al102  1  0.625696  0.725643  0.562904  1
  Al  Al103  1  0.232164  0.961445  0.518503  1
  Al  Al104  1  0.819142  0.787973  0.574861  1
  Al  Al105  1  0.138798  0.142968  0.509616  1
  Al  Al106  1  0.725413  0.968938  0.566142  1
  Al  Al107  1  0.099380  0.772079  0.547412  1
  Al  Al108  1  0.686890  0.598057  0.603385  1
  Al  Al109  1  0.854432  0.513530  0.502156  1
  Al  Al110  1  0.441274  0.338047  0.557842  1
  Al  Al111  1  0.294012  0.441567  0.572313  1
  Al  Al112  1  0.706973  0.616633  0.516686  1
  Al  Al113  1  0.185943  0.663107  0.503162  1
  Al  Al114  1  0.772448  0.487643  0.559127  1
  Al  Al115  1  0.952768  0.009283  0.551334  1
  Al  Al116  1  0.538619  0.833305  0.607198  1
  Al  Al117  1  0.284572  0.158491  0.552154  1
  Al  Al118  1  0.868802  0.983686  0.609279  1
  Al  Al119  1  0.188576  0.097603  0.603037  1
  Al  Al120  1  0.602174  0.272985  0.547143  1
  Al  Al121  1  0.417069  0.136405  0.590783  1
  Al  Al122  1  0.830101  0.311131  0.535185  1
  Al  Al123  1  0.199318  0.623609  0.563446  1
  Al  Al124  1  0.613669  0.798014  0.507860  1
  Al  Al125  1  0.332460  0.812934  0.534769  1
  Al  Al126  1  0.917534  0.637862  0.591087  1
  Al  Al127  1  0.111459  0.700216  0.602246  1
  Al  Al128  1  0.525972  0.874167  0.546529  1
  Al  Al129  1  0.017919  0.880229  0.593579  1
  Al  Al130  1  0.432445  0.055711  0.537487  1
  Al  Al131  1  0.393076  0.684717  0.575309  1
  Al  Al132  1  0.806665  0.859427  0.519606  1
  Al  Al133  1  0.147626  0.426096  0.529876  1
  Al  Al134  1  0.733865  0.249470  0.586385  1
  Al  Al135  1  0.999489  0.529126  0.544699  1
  Al  Al136  1  0.587206  0.353671  0.600485  1
  Al  Al137  1  0.065067  0.399834  0.586642  1
  Al  Al138  1  0.479531  0.575462  0.531102  1
  Al  Al139  1  0.246022  0.921561  0.578952  1
  Al  Al140  1  0.659881  0.096553  0.523189  1
  Al  Al141  1  0.990840  0.246186  0.524452  1
  Al  Al142  1  0.577298  0.071159  0.580032  1
  Al  Al143  1  0.308405  0.360311  0.519194  1
  Al  Al144  1  0.893851  0.184120  0.575306  1
  Al  Al145  1  0.289999  0.868072  0.675742  1
  Al  Al146  1  0.704373  0.046512  0.619944  1
  Al  Al147  1  0.079392  0.359720  0.646398  1
  Al  Al148  1  0.683365  0.210461  0.705321  1
  Al  Al149  1  0.212282  0.550970  0.617557  1
  Al  Al150  1  0.807914  0.379659  0.672561  1
  Al  Al151  1  0.407080  0.612156  0.629941  1
  Al  Al152  1  0.997334  0.444999  0.684023  1
  Al  Al153  1  0.312456  0.797603  0.621736  1
  Al  Al154  1  0.899566  0.628063  0.680724  1
  Al  Al155  1  0.271387  0.421305  0.657772  1
  Al  Al156  1  0.879905  0.245567  0.710106  1
  Al  Al157  1  0.027641  0.161268  0.613155  1
  Al  Al158  1  0.611963  0.996253  0.673065  1
  Al  Al159  1  0.456957  0.084208  0.683225  1
  Al  Al160  1  0.880773  0.266226  0.628392  1
  Al  Al161  1  0.359000  0.312761  0.615274  1
  Al  Al162  1  0.941925  0.129681  0.668007  1
  Al  Al163  1  0.126158  0.659663  0.661370  1
  Al  Al164  1  0.723347  0.482842  0.711528  1
  Al  Al165  1  0.456779  0.809934  0.663722  1
  Al  Al166  1  0.055455  0.639398  0.716573  1
  Al  Al167  1  0.355403  0.731648  0.712081  1
  Al  Al168  1  0.767367  0.919826  0.659294  1
  Al  Al169  1  0.584941  0.784124  0.702391  1
  Al  Al170  1  0.005116  0.959696  0.646454  1
  Al  Al171  1  0.373919  0.275981  0.674967  1
  Al  Al172  1  0.785045  0.447306  0.619283  1
  Al  Al173  1  0.506909  0.461783  0.646042  1
  Al  Al174  1  0.084430  0.282808  0.699665  1
  Al  Al175  1  0.273846  0.350646  0.711310  1
  Al  Al176  1  0.699700  0.527321  0.657601  1
  Al  Al177  1  0.189238  0.525226  0.701189  1
  Al  Al178  1  0.603805  0.705598  0.650423  1
  Al  Al179  1  0.570074  0.330636  0.684838  1
  Al  Al180  1  0.978870  0.510091  0.630932  1
  Al  Al181  1  0.320914  0.074611  0.641427  1
  Al  Al182  1  0.905626  0.900223  0.695553  1
  Al  Al183  1  0.172561  0.181727  0.655866  1
  Al  Al184  1  0.760180  1.003582  0.710049  1
  Al  Al185  1  0.243515  0.062572  0.694050  1
  Al  Al186  1  0.652499  0.227653  0.644384  1
  Al  Al187  1  0.417682  0.567055  0.687248  1
  Al  Al188  1  0.832174  0.748976  0.636960  1
  Al  Al189  1  0.163762  0.897026  0.636029  1
  Al  Al190  1  0.745142  0.720826  0.692927  1
  Al  Al191  1  0.483431  0.010928  0.631075  1
  Al  Al192  1  0.077390  0.841894  0.686529  1
  Fe  Fe193  1  0.666882  0.379686  0.278103  1
  Fe  Fe194  1  0.260396  0.197007  0.335018  1
  Fe  Fe195  1  0.775621  0.701121  0.331387  1
  Fe  Fe196  1  0.361261  0.527199  0.387218  1
  Fe  Fe197  1  0.970056  0.291409  0.304989  1
  Fe  Fe198  1  0.554231  0.109518  0.359983  1
  Fe  Fe199  1  0.483604  0.788854  0.304051  1
  Fe  Fe200  1  0.068468  0.616155  0.359176  1
  Fe  Fe201  1  0.847324  0.022223  0.388064  1
  Fe  Fe202  1  0.432820  0.846067  0.444350  1
  Fe  Fe203  1  0.947314  0.351563  0.442321  1
  Fe  Fe204  1  0.534360  0.176541  0.498099  1
  Fe  Fe205  1  0.139336  0.933313  0.416542  1
  Fe  Fe206  1  0.726079  0.759065  0.472233  1
  Fe  Fe207  1  0.654942  0.439859  0.414444  1
  Fe  Fe208  1  0.240744  0.263990  0.470306  1
  Fe  Fe209  1  0.018480  0.670860  0.500360  1
  Fe  Fe210  1  0.605527  0.495838  0.556139  1
  Fe  Fe211  1  0.120021  1.001334  0.554109  1
  Fe  Fe212  1  0.705516  0.825179  0.610395  1
  Fe  Fe213  1  0.312096  0.583411  0.528153  1
  Fe  Fe214  1  0.897899  0.407542  0.584015  1
  Fe  Fe215  1  0.826761  0.088336  0.526226  1
  Fe  Fe216  1  0.413504  0.914088  0.581918  1
  Fe  Fe217  1  0.191580  0.320203  0.611241  1
  Fe  Fe218  1  0.777220  0.146280  0.667072  1
  Fe  Fe219  1  0.292444  0.650394  0.663441  1
  Fe  Fe220  1  0.885958  0.467715  0.720357  1
  Fe  Fe221  1  0.484372  0.231246  0.639283  1
  Fe  Fe222  1  0.069236  0.058548  0.694408  1
  Fe  Fe223  1  0.998610  0.737883  0.638476  1
  Fe  Fe224  1  0.582784  0.555993  0.693470  1
