# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82343425
_cell_length_b   16.41534023
_cell_length_c   52.71962742
_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   'Al192 Fe32'
_cell_volume   7635.89371182
_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  0.003156  0.638277  0.341694  1
  Al  Al2  1  0.996146  0.210018  0.290852  1
  Al  Al3  1  0.599733  0.038265  0.349382  1
  Al  Al4  1  0.591565  0.605173  0.292735  1
  Al  Al5  1  0.502436  0.638277  0.341694  1
  Al  Al6  1  0.509446  0.210018  0.290852  1
  Al  Al7  1  0.407041  0.082200  0.316128  1
  Al  Al8  1  0.405686  0.507947  0.372363  1
  Al  Al9  1  0.252796  0.665443  0.371592  1
  Al  Al10  1  0.252796  0.242602  0.316147  1
  Al  Al11  1  0.502950  0.908350  0.377643  1
  Al  Al12  1  0.502846  0.482602  0.323876  1
  Al  Al13  1  0.905859  0.038265  0.349382  1
  Al  Al14  1  0.914027  0.605173  0.292735  1
  Al  Al15  1  0.752796  0.594048  0.376971  1
  Al  Al16  1  0.752796  0.167987  0.321895  1
  Al  Al17  1  0.752796  0.011479  0.304968  1
  Al  Al18  1  0.752796  0.435381  0.356210  1
  Al  Al19  1  0.252796  0.681628  0.310566  1
  Al  Al20  1  0.252796  0.110863  0.363449  1
  Al  Al21  1  0.098551  0.082200  0.316128  1
  Al  Al22  1  0.099906  0.507947  0.372363  1
  Al  Al23  1  1.002642  0.908350  0.377643  1
  Al  Al24  1  1.002746  0.482602  0.323876  1
  Al  Al25  1  0.003059  0.920577  0.315418  1
  Al  Al26  1  1.002688  0.350263  0.370492  1
  Al  Al27  1  0.601375  0.750428  0.376544  1
  Al  Al28  1  0.600051  0.327055  0.321838  1
  Al  Al29  1  0.502533  0.920577  0.315418  1
  Al  Al30  1  0.502904  0.350263  0.370492  1
  Al  Al31  1  0.402145  0.795087  0.344239  1
  Al  Al32  1  0.403322  0.371657  0.288231  1
  Al  Al33  1  0.252796  0.951151  0.342525  1
  Al  Al34  1  0.252796  0.519282  0.291672  1
  Al  Al35  1  0.511911  0.762226  0.298549  1
  Al  Al36  1  0.501567  0.196906  0.349533  1
  Al  Al37  1  0.904217  0.750428  0.376544  1
  Al  Al38  1  0.905541  0.327055  0.321838  1
  Al  Al39  1  0.752796  0.881611  0.348451  1
  Al  Al40  1  0.752796  0.451118  0.295789  1
  Al  Al41  1  0.752796  0.720935  0.328443  1
  Al  Al42  1  0.752796  0.147306  0.383932  1
  Al  Al43  1  0.252796  0.978365  0.287739  1
  Al  Al44  1  0.252796  0.398401  0.335723  1
  Al  Al45  1  0.103447  0.795087  0.344239  1
  Al  Al46  1  0.102270  0.371657  0.288231  1
  Al  Al47  1  0.993681  0.762226  0.298549  1
  Al  Al48  1  0.004025  0.196906  0.349533  1
  Al  Al49  1  1.002752  0.488646  0.454293  1
  Al  Al50  1  0.002906  0.062605  0.398316  1
  Al  Al51  1  0.600712  0.889395  0.460512  1
  Al  Al52  1  0.601649  0.463365  0.405071  1
  Al  Al53  1  0.502840  0.488646  0.454293  1
  Al  Al54  1  0.502686  0.062605  0.398316  1
  Al  Al55  1  0.404605  0.933560  0.427218  1
  Al  Al56  1  0.404592  0.359215  0.483351  1
  Al  Al57  1  0.252796  0.516104  0.483219  1
  Al  Al58  1  0.252796  0.089896  0.427134  1
  Al  Al59  1  0.502814  0.760173  0.489767  1
  Al  Al60  1  0.502660  0.334008  0.434039  1
  Al  Al61  1  0.904880  0.889395  0.460512  1
  Al  Al62  1  0.903943  0.463365  0.405071  1
  Al  Al63  1  0.752796  0.445778  0.488838  1
  Al  Al64  1  0.752796  0.019630  0.432800  1
  Al  Al65  1  0.752796  0.860220  0.411893  1
  Al  Al66  1  0.752796  0.286090  0.467924  1
  Al  Al67  1  0.252796  0.536814  0.420591  1
  Al  Al68  1  0.252796  0.962164  0.475930  1
  Al  Al69  1  0.100987  0.933560  0.427218  1
  Al  Al70  1  0.101000  0.359215  0.483351  1
  Al  Al71  1  1.002778  0.760173  0.489767  1
  Al  Al72  1  0.002932  0.334008  0.434039  1
  Al  Al73  1  1.002745  0.775860  0.426148  1
  Al  Al74  1  0.002801  0.201349  0.482008  1
  Al  Al75  1  0.601023  0.602503  0.488593  1
  Al  Al76  1  0.600893  0.176337  0.432648  1
  Al  Al77  1  0.502847  0.775860  0.426148  1
  Al  Al78  1  0.502791  0.201349  0.482008  1
  Al  Al79  1  0.404757  0.646605  0.455477  1
  Al  Al80  1  0.404934  0.220100  0.399375  1
  Al  Al81  1  0.252796  0.803311  0.455231  1
  Al  Al82  1  0.252796  0.377178  0.399594  1
  Al  Al83  1  0.503172  0.621575  0.406200  1
  Al  Al84  1  0.502701  0.046984  0.461757  1
  Al  Al85  1  0.904569  0.602503  0.488593  1
  Al  Al86  1  0.904699  0.176337  0.432648  1
  Al  Al87  1  0.752796  0.732783  0.460733  1
  Al  Al88  1  0.752796  0.306730  0.405158  1
  Al  Al89  1  0.752796  0.573589  0.440052  1
  Al  Al90  1  0.752796  0.999105  0.495718  1
  Al  Al91  1  0.252796  0.824109  0.392490  1
  Al  Al92  1  0.252796  0.249192  0.448044  1
  Al  Al93  1  0.100835  0.646605  0.455477  1
  Al  Al94  1  0.100658  0.220100  0.399375  1
  Al  Al95  1  1.002420  0.621575  0.406200  1
  Al  Al96  1  0.002891  0.046984  0.461757  1
  Al  Al97  1  1.002660  0.340528  0.565688  1
  Al  Al98  1  0.002814  0.914362  0.509960  1
  Al  Al99  1  0.600987  0.740975  0.572509  1
  Al  Al100  1  0.601000  0.315320  0.516376  1
  Al  Al101  1  0.502932  0.340528  0.565688  1
  Al  Al102  1  0.502778  0.914362  0.509960  1
  Al  Al103  1  0.404880  0.785140  0.539215  1
  Al  Al104  1  0.403943  0.211170  0.594657  1
  Al  Al105  1  0.252796  0.367806  0.594569  1
  Al  Al106  1  0.252796  0.941753  0.538994  1
  Al  Al107  1  0.502906  0.611930  0.601411  1
  Al  Al108  1  0.502752  0.185889  0.545434  1
  Al  Al109  1  0.904605  0.740975  0.572509  1
  Al  Al110  1  0.904592  0.315320  0.516376  1
  Al  Al111  1  0.752796  0.297357  0.600133  1
  Al  Al112  1  0.752796  0.871224  0.544496  1
  Al  Al113  1  0.752796  0.712371  0.523797  1
  Al  Al114  1  0.752796  0.137721  0.579136  1
  Al  Al115  1  0.252796  0.388445  0.531803  1
  Al  Al116  1  0.252796  0.814315  0.587834  1
  Al  Al117  1  0.100712  0.785140  0.539215  1
  Al  Al118  1  0.101649  0.211170  0.594657  1
  Al  Al119  1  1.002686  0.611930  0.601411  1
  Al  Al120  1  0.002840  0.185889  0.545434  1
  Al  Al121  1  1.002701  0.627552  0.537970  1
  Al  Al122  1  0.003172  0.052960  0.593527  1
  Al  Al123  1  0.600658  0.454435  0.600352  1
  Al  Al124  1  0.600835  0.027930  0.544250  1
  Al  Al125  1  0.502891  0.627552  0.537970  1
  Al  Al126  1  0.502420  0.052960  0.593527  1
  Al  Al127  1  0.404699  0.498198  0.567079  1
  Al  Al128  1  0.404569  0.072032  0.511134  1
  Al  Al129  1  0.252796  0.654906  0.566927  1
  Al  Al130  1  0.252796  0.228758  0.510889  1
  Al  Al131  1  0.502801  0.473187  0.517719  1
  Al  Al132  1  0.502745  0.898675  0.573579  1
  Al  Al133  1  0.904934  0.454435  0.600352  1
  Al  Al134  1  0.904757  0.027930  0.544250  1
  Al  Al135  1  0.752796  0.584640  0.572593  1
  Al  Al136  1  0.752796  0.158431  0.516508  1
  Al  Al137  1  0.752796  0.425343  0.551683  1
  Al  Al138  1  0.752796  0.850426  0.607238  1
  Al  Al139  1  0.252796  0.675430  0.504009  1
  Al  Al140  1  0.252796  0.100946  0.559675  1
  Al  Al141  1  0.100893  0.498198  0.567079  1
  Al  Al142  1  0.101023  0.072032  0.511134  1
  Al  Al143  1  1.002791  0.473187  0.517719  1
  Al  Al144  1  0.002847  0.898675  0.573579  1
  Al  Al145  1  0.002846  0.191933  0.675851  1
  Al  Al146  1  0.002950  0.766185  0.622084  1
  Al  Al147  1  0.598551  0.592335  0.683599  1
  Al  Al148  1  0.599906  0.166588  0.627364  1
  Al  Al149  1  0.502746  0.191933  0.675851  1
  Al  Al150  1  0.502642  0.766185  0.622084  1
  Al  Al151  1  0.405859  0.636270  0.650345  1
  Al  Al152  1  0.414027  0.069362  0.706992  1
  Al  Al153  1  0.252796  0.223417  0.703939  1
  Al  Al154  1  0.252796  0.792924  0.651276  1
  Al  Al155  1  0.496146  0.464517  0.708875  1
  Al  Al156  1  0.503156  0.036258  0.658033  1
  Al  Al157  1  0.907041  0.592335  0.683599  1
  Al  Al158  1  0.905686  0.166588  0.627364  1
  Al  Al159  1  0.752796  0.155253  0.708055  1
  Al  Al160  1  0.752796  0.723385  0.657203  1
  Al  Al161  1  0.752796  0.563672  0.636278  1
  Al  Al162  1  0.752796  0.992907  0.689162  1
  Al  Al163  1  0.252796  0.239154  0.643517  1
  Al  Al164  1  0.252796  0.663056  0.694759  1
  Al  Al165  1  0.099733  0.636270  0.650345  1
  Al  Al166  1  0.091565  0.069362  0.706992  1
  Al  Al167  1  0.009446  0.464517  0.708875  1
  Al  Al168  1  1.002436  0.036258  0.658033  1
  Al  Al169  1  1.001567  0.477629  0.650194  1
  Al  Al170  1  0.011911  0.912309  0.701178  1
  Al  Al171  1  0.602270  0.302878  0.711496  1
  Al  Al172  1  0.603447  0.879448  0.655489  1
  Al  Al173  1  0.504025  0.477629  0.650194  1
  Al  Al174  1  0.493681  0.912309  0.701178  1
  Al  Al175  1  0.405541  0.347480  0.677889  1
  Al  Al176  1  0.404217  0.924107  0.623183  1
  Al  Al177  1  0.252796  0.506548  0.677832  1
  Al  Al178  1  0.252796  0.080487  0.622756  1
  Al  Al179  1  0.502688  0.324273  0.629235  1
  Al  Al180  1  0.503059  0.753958  0.684309  1
  Al  Al181  1  0.903322  0.302878  0.711496  1
  Al  Al182  1  0.902145  0.879448  0.655489  1
  Al  Al183  1  0.752796  0.431934  0.683580  1
  Al  Al184  1  0.752796  0.009092  0.628136  1
  Al  Al185  1  0.752796  0.276134  0.664005  1
  Al  Al186  1  0.752796  0.696171  0.711988  1
  Al  Al187  1  0.252796  0.527229  0.615795  1
  Al  Al188  1  0.252796  0.953601  0.671284  1
  Al  Al189  1  0.100051  0.347480  0.677889  1
  Al  Al190  1  0.101375  0.924107  0.623183  1
  Al  Al191  1  0.002904  0.324273  0.629235  1
  Al  Al192  1  1.002533  0.753958  0.684309  1
  Fe  Fe193  1  0.752796  0.987886  0.386105  1
  Fe  Fe194  1  0.752796  0.563630  0.330352  1
  Fe  Fe195  1  0.252796  0.138621  0.280023  1
  Fe  Fe196  1  0.252796  0.556620  0.336555  1
  Fe  Fe197  1  0.752796  0.851813  0.301708  1
  Fe  Fe198  1  0.752796  0.275668  0.358572  1
  Fe  Fe199  1  0.252796  0.838107  0.306146  1
  Fe  Fe200  1  0.252796  0.271156  0.362543  1
  Fe  Fe201  1  0.752796  0.840062  0.497707  1
  Fe  Fe202  1  0.752796  0.414105  0.442196  1
  Fe  Fe203  1  0.252796  0.983033  0.389705  1
  Fe  Fe204  1  0.252796  0.408552  0.446258  1
  Fe  Fe205  1  0.752796  0.701434  0.413921  1
  Fe  Fe206  1  0.752796  0.126927  0.469788  1
  Fe  Fe207  1  0.252796  0.695914  0.418343  1
  Fe  Fe208  1  0.252796  0.121291  0.473923  1
  Fe  Fe209  1  0.752796  0.691502  0.610022  1
  Fe  Fe210  1  0.752796  0.265983  0.553469  1
  Fe  Fe211  1  0.252796  0.834473  0.502020  1
  Fe  Fe212  1  0.252796  0.260431  0.557531  1
  Fe  Fe213  1  0.752796  0.553244  0.525804  1
  Fe  Fe214  1  0.752796  0.978621  0.581384  1
  Fe  Fe215  1  0.252796  0.547608  0.529939  1
  Fe  Fe216  1  0.252796  0.973102  0.585806  1
  Fe  Fe217  1  0.752796  0.535915  0.719704  1
  Fe  Fe218  1  0.752796  0.117915  0.663172  1
  Fe  Fe219  1  0.252796  0.686649  0.613622  1
  Fe  Fe220  1  0.252796  0.110905  0.669375  1
  Fe  Fe221  1  0.752796  0.403379  0.637184  1
  Fe  Fe222  1  0.752796  0.836428  0.693581  1
  Fe  Fe223  1  0.252796  0.398867  0.641155  1
  Fe  Fe224  1  0.252796  0.822722  0.698019  1
