# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32500295
_cell_length_b   27.54080498
_cell_length_c   51.17002181
_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   8913.59637702
_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  0.501355  0.453442  0.407155  1
  Al  Al2  1  0.512907  0.145163  0.358897  1
  Al  Al3  1  0.487492  0.838309  0.311784  1
  Al  Al4  1  0.151646  0.344210  0.361820  1
  Al  Al5  1  0.143898  0.037300  0.315879  1
  Al  Al6  1  0.146481  0.651657  0.409487  1
  Al  Al7  1  0.502696  0.299238  0.383048  1
  Al  Al8  1  0.499493  0.991508  0.334978  1
  Al  Al9  1  0.493599  0.687018  0.289116  1
  Al  Al10  1  0.857556  0.283346  0.352824  1
  Al  Al11  1  0.849974  0.974408  0.306327  1
  Al  Al12  1  0.852223  0.590744  0.400454  1
  Al  Al13  1  0.698155  0.212428  0.390003  1
  Al  Al14  1  0.693379  0.903502  0.342234  1
  Al  Al15  1  0.673995  0.604061  0.301509  1
  Al  Al16  1  0.499818  0.325851  0.331656  1
  Al  Al17  1  0.499474  0.943232  0.426759  1
  Al  Al18  1  0.498366  0.634641  0.378987  1
  Al  Al19  1  0.151283  0.437309  0.375773  1
  Al  Al20  1  0.164348  0.131746  0.329800  1
  Al  Al21  1  0.147002  0.744966  0.424236  1
  Al  Al22  1  0.811418  0.376148  0.396049  1
  Al  Al23  1  0.809203  0.066924  0.349206  1
  Al  Al24  1  0.765860  0.761656  0.303456  1
  Al  Al25  1  0.809596  0.403502  0.342234  1
  Al  Al26  1  0.828980  0.104061  0.301509  1
  Al  Al27  1  0.804820  0.712428  0.390003  1
  Al  Al28  1  0.198135  0.221529  0.372003  1
  Al  Al29  1  0.187162  0.915461  0.325202  1
  Al  Al30  1  0.193548  0.530397  0.420111  1
  Al  Al31  1  0.856258  0.188584  0.337918  1
  Al  Al32  1  0.857434  0.878335  0.293377  1
  Al  Al33  1  0.854999  0.497382  0.385641  1
  Al  Al34  1  0.504970  0.480819  0.355366  1
  Al  Al35  1  0.507060  0.174936  0.306653  1
  Al  Al36  1  0.498172  0.789079  0.402904  1
  Al  Al37  1  0.003481  0.491508  0.334978  1
  Al  Al38  1  0.009375  0.187018  0.289116  1
  Al  Al39  1  1.000278  0.799238  0.383048  1
  Al  Al40  1  0.645540  0.378335  0.293377  1
  Al  Al41  1  0.647975  0.997382  0.385641  1
  Al  Al42  1  0.646716  0.688584  0.337918  1
  Al  Al43  1  0.015482  0.338309  0.311784  1
  Al  Al44  1  0.001620  0.953442  0.407155  1
  Al  Al45  1  0.990068  0.645163  0.358897  1
  Al  Al46  1  0.355973  0.244966  0.424236  1
  Al  Al47  1  0.351691  0.937309  0.375773  1
  Al  Al48  1  0.338626  0.631746  0.329800  1
  Al  Al49  1  0.191182  0.250603  0.320660  1
  Al  Al50  1  0.193203  0.866473  0.413927  1
  Al  Al51  1  0.194322  0.558314  0.366222  1
  Al  Al52  1  0.004802  0.289079  0.402904  1
  Al  Al53  1  0.998004  0.980819  0.355366  1
  Al  Al54  1  0.995915  0.674936  0.306653  1
  Al  Al55  1  0.653000  0.474408  0.306327  1
  Al  Al56  1  0.650751  0.090744  0.400454  1
  Al  Al57  1  0.645419  0.783346  0.352824  1
  Al  Al58  1  0.315812  0.415461  0.325202  1
  Al  Al59  1  0.309426  0.030397  0.420111  1
  Al  Al60  1  0.304840  0.721529  0.372003  1
  Al  Al61  1  0.309772  0.366473  0.413927  1
  Al  Al62  1  0.308653  0.058314  0.366222  1
  Al  Al63  1  0.311792  0.750603  0.320660  1
  Al  Al64  1  0.737114  0.261656  0.303456  1
  Al  Al65  1  0.691557  0.876148  0.396049  1
  Al  Al66  1  0.693772  0.566924  0.349206  1
  Al  Al67  1  0.356494  0.151657  0.409487  1
  Al  Al68  1  0.351328  0.844210  0.361820  1
  Al  Al69  1  0.359076  0.537300  0.315879  1
  Al  Al70  1  0.003500  0.443232  0.426759  1
  Al  Al71  1  0.004608  0.134641  0.378987  1
  Al  Al72  1  0.003156  0.825851  0.331656  1
  Al  Al73  1  0.500561  0.378233  0.550680  1
  Al  Al74  1  0.500623  0.070046  0.502824  1
  Al  Al75  1  0.499692  0.761698  0.454875  1
  Al  Al76  1  0.149061  0.268191  0.505508  1
  Al  Al77  1  0.148760  0.959873  0.457674  1
  Al  Al78  1  0.150201  0.576484  0.553395  1
  Al  Al79  1  0.501336  0.224152  0.526791  1
  Al  Al80  1  0.501673  0.915846  0.478845  1
  Al  Al81  1  0.500633  0.607602  0.431042  1
  Al  Al82  1  0.853913  0.207497  0.496071  1
  Al  Al83  1  0.852774  0.899204  0.448184  1
  Al  Al84  1  0.854214  0.515815  0.543905  1
  Al  Al85  1  0.693553  0.137100  0.533691  1
  Al  Al86  1  0.694163  0.828709  0.485733  1
  Al  Al87  1  0.694599  0.520447  0.437966  1
  Al  Al88  1  0.501638  0.251536  0.474788  1
  Al  Al89  1  0.502342  0.868085  0.570537  1
  Al  Al90  1  0.501302  0.559842  0.522734  1
  Al  Al91  1  0.148940  0.361614  0.519987  1
  Al  Al92  1  0.149239  0.053313  0.472164  1
  Al  Al93  1  0.150951  0.669917  0.568014  1
  Al  Al94  1  0.807589  0.301044  0.539782  1
  Al  Al95  1  0.808288  0.992776  0.491882  1
  Al  Al96  1  0.806775  0.684470  0.443964  1
  Al  Al97  1  0.808811  0.328709  0.485733  1
  Al  Al98  1  0.808376  0.020447  0.437966  1
  Al  Al99  1  0.809422  0.637100  0.533691  1
  Al  Al100  1  0.194163  0.146979  0.515846  1
  Al  Al101  1  0.193553  0.838588  0.467888  1
  Al  Al102  1  0.194599  0.455240  0.563613  1
  Al  Al103  1  0.854034  0.114074  0.481592  1
  Al  Al104  1  0.852023  0.805771  0.433565  1
  Al  Al105  1  0.853735  0.422375  0.529415  1
  Al  Al106  1  0.502351  0.405642  0.498755  1
  Al  Al107  1  0.502413  0.097455  0.450899  1
  Al  Al108  1  0.503283  0.713990  0.546704  1
  Al  Al109  1  1.001302  0.415846  0.478845  1
  Al  Al110  1  0.002342  0.107602  0.431042  1
  Al  Al111  1  0.001638  0.724152  0.526791  1
  Al  Al112  1  0.650951  0.305771  0.433565  1
  Al  Al113  1  0.649239  0.922375  0.529415  1
  Al  Al114  1  0.648940  0.614074  0.481592  1
  Al  Al115  1  0.003283  0.261698  0.454875  1
  Al  Al116  1  0.002413  0.878233  0.550680  1
  Al  Al117  1  0.002351  0.570046  0.502824  1
  Al  Al118  1  0.352023  0.169917  0.568014  1
  Al  Al119  1  0.354034  0.861614  0.519987  1
  Al  Al120  1  0.353735  0.553313  0.472164  1
  Al  Al121  1  0.195385  0.174644  0.461797  1
  Al  Al122  1  0.196200  0.791218  0.557615  1
  Al  Al123  1  0.194686  0.482912  0.509697  1
  Al  Al124  1  0.999692  0.213990  0.546704  1
  Al  Al125  1  1.000623  0.905642  0.498755  1
  Al  Al126  1  1.000561  0.597455  0.450899  1
  Al  Al127  1  0.650201  0.399204  0.448184  1
  Al  Al128  1  0.648760  0.015815  0.543905  1
  Al  Al129  1  0.649061  0.707497  0.496071  1
  Al  Al130  1  0.309422  0.338588  0.467888  1
  Al  Al131  1  0.308376  0.955240  0.563613  1
  Al  Al132  1  0.308811  0.646979  0.515846  1
  Al  Al133  1  0.306775  0.291218  0.557615  1
  Al  Al134  1  0.308288  0.982912  0.509697  1
  Al  Al135  1  0.307589  0.674644  0.461797  1
  Al  Al136  1  0.696200  0.184470  0.443964  1
  Al  Al137  1  0.695385  0.801044  0.539782  1
  Al  Al138  1  0.694686  0.492776  0.491882  1
  Al  Al139  1  0.352774  0.076484  0.553395  1
  Al  Al140  1  0.353913  0.768191  0.505508  1
  Al  Al141  1  0.354214  0.459873  0.457674  1
  Al  Al142  1  1.000633  0.368085  0.570537  1
  Al  Al143  1  0.001673  0.059842  0.522734  1
  Al  Al144  1  1.001336  0.751536  0.474788  1
  Al  Al145  1  0.495915  0.300752  0.694926  1
  Al  Al146  1  0.498004  0.994868  0.646213  1
  Al  Al147  1  0.504802  0.686608  0.598675  1
  Al  Al148  1  0.145419  0.192342  0.648755  1
  Al  Al149  1  0.150751  0.884944  0.601125  1
  Al  Al150  1  0.153000  0.501279  0.695252  1
  Al  Al151  1  0.503156  0.149837  0.669923  1
  Al  Al152  1  0.504608  0.841047  0.622592  1
  Al  Al153  1  0.503500  0.532456  0.574820  1
  Al  Al154  1  0.851328  0.131478  0.639759  1
  Al  Al155  1  0.856494  0.824031  0.592092  1
  Al  Al156  1  0.859076  0.438388  0.685700  1
  Al  Al157  1  0.687162  0.060227  0.676377  1
  Al  Al158  1  0.698135  0.754159  0.629576  1
  Al  Al159  1  0.693548  0.445291  0.581468  1
  Al  Al160  1  0.500278  0.176450  0.618531  1
  Al  Al161  1  0.509375  0.788670  0.712463  1
  Al  Al162  1  0.503481  0.484180  0.666601  1
  Al  Al163  1  0.146716  0.287103  0.663661  1
  Al  Al164  1  0.147975  0.978306  0.615938  1
  Al  Al165  1  0.145540  0.597352  0.708202  1
  Al  Al166  1  0.811792  0.225084  0.680919  1
  Al  Al167  1  0.808653  0.917374  0.635357  1
  Al  Al168  1  0.809772  0.609214  0.587652  1
  Al  Al169  1  0.804840  0.254159  0.629576  1
  Al  Al170  1  0.809426  0.945291  0.581468  1
  Al  Al171  1  0.815812  0.560227  0.676377  1
  Al  Al172  1  0.193379  0.072185  0.659345  1
  Al  Al173  1  0.198155  0.763259  0.611576  1
  Al  Al174  1  0.173995  0.371626  0.700070  1
  Al  Al175  1  0.851691  0.038379  0.625806  1
  Al  Al176  1  0.855973  0.730722  0.577343  1
  Al  Al177  1  0.838626  0.343942  0.671779  1
  Al  Al178  1  0.490068  0.330525  0.642682  1
  Al  Al179  1  0.501620  0.022246  0.594424  1
  Al  Al180  1  0.515482  0.637378  0.689795  1
  Al  Al181  1  0.998366  0.341047  0.622592  1
  Al  Al182  1  0.999474  0.032456  0.574820  1
  Al  Al183  1  0.999818  0.649837  0.669923  1
  Al  Al184  1  0.647002  0.230722  0.577343  1
  Al  Al185  1  0.664348  0.843942  0.671779  1
  Al  Al186  1  0.651283  0.538379  0.625806  1
  Al  Al187  1  0.998172  0.186608  0.598675  1
  Al  Al188  1  0.007060  0.800752  0.694926  1
  Al  Al189  1  0.004970  0.494868  0.646213  1
  Al  Al190  1  0.357434  0.097352  0.708202  1
  Al  Al191  1  0.356258  0.787103  0.663661  1
  Al  Al192  1  0.354999  0.478306  0.615938  1
  Al  Al193  1  0.191557  0.099539  0.605530  1
  Al  Al194  1  0.237114  0.714032  0.698123  1
  Al  Al195  1  0.193772  0.408764  0.652373  1
  Al  Al196  1  0.987492  0.137378  0.689795  1
  Al  Al197  1  0.012907  0.830525  0.642682  1
  Al  Al198  1  1.001355  0.522246  0.594424  1
  Al  Al199  1  0.646481  0.324031  0.592092  1
  Al  Al200  1  0.643898  0.938388  0.685700  1
  Al  Al201  1  0.651646  0.631478  0.639759  1
  Al  Al202  1  0.304820  0.263259  0.611576  1
  Al  Al203  1  0.328980  0.871626  0.700070  1
  Al  Al204  1  0.309596  0.572185  0.659345  1
  Al  Al205  1  0.265860  0.214032  0.698123  1
  Al  Al206  1  0.309203  0.908764  0.652373  1
  Al  Al207  1  0.311418  0.599539  0.605530  1
  Al  Al208  1  0.693203  0.109214  0.587652  1
  Al  Al209  1  0.691182  0.725084  0.680919  1
  Al  Al210  1  0.694322  0.417374  0.635357  1
  Al  Al211  1  0.349974  1.001279  0.695252  1
  Al  Al212  1  0.357556  0.692342  0.648755  1
  Al  Al213  1  0.352223  0.384944  0.601125  1
  Al  Al214  1  0.993599  0.288670  0.712463  1
  Al  Al215  1  0.999493  0.984180  0.666601  1
  Al  Al216  1  0.002696  0.676450  0.618531  1
  Fe  Fe217  1  0.486230  0.390085  0.369402  1
  Fe  Fe218  1  0.486016  0.082473  0.322137  1
  Fe  Fe219  1  0.480694  0.698197  0.416900  1
  Fe  Fe220  1  0.525842  0.235706  0.345403  1
  Fe  Fe221  1  0.514524  0.927223  0.298659  1
  Fe  Fe222  1  0.518803  0.543885  0.393332  1
  Fe  Fe223  1  0.988450  0.427223  0.298659  1
  Fe  Fe224  1  0.984171  0.043885  0.393332  1
  Fe  Fe225  1  0.977132  0.735706  0.345403  1
  Fe  Fe226  1  0.022280  0.198197  0.416900  1
  Fe  Fe227  1  0.016744  0.890085  0.369402  1
  Fe  Fe228  1  0.016959  0.582473  0.322137  1
  Fe  Fe229  1  0.483111  0.314883  0.512748  1
  Fe  Fe230  1  0.483157  0.006558  0.464882  1
  Fe  Fe231  1  0.484542  0.623193  0.560677  1
  Fe  Fe232  1  0.519864  0.160805  0.488831  1
  Fe  Fe233  1  0.518432  0.852494  0.440902  1
  Fe  Fe234  1  0.519817  0.469130  0.536697  1
  Fe  Fe235  1  0.984542  0.352494  0.440902  1
  Fe  Fe236  1  0.983157  0.969130  0.536697  1
  Fe  Fe237  1  0.983111  0.660805  0.488831  1
  Fe  Fe238  1  0.018432  0.123193  0.560677  1
  Fe  Fe239  1  0.019864  0.814883  0.512748  1
  Fe  Fe240  1  0.019817  0.506558  0.464882  1
  Fe  Fe241  1  0.477132  0.239982  0.656176  1
  Fe  Fe242  1  0.484171  0.931803  0.608247  1
  Fe  Fe243  1  0.488450  0.548465  0.702920  1
  Fe  Fe244  1  0.516744  0.085603  0.632177  1
  Fe  Fe245  1  0.522280  0.777491  0.584679  1
  Fe  Fe246  1  0.516959  0.393215  0.679442  1
  Fe  Fe247  1  0.980694  0.277491  0.584679  1
  Fe  Fe248  1  0.986016  0.893215  0.679442  1
  Fe  Fe249  1  0.986230  0.585603  0.632177  1
  Fe  Fe250  1  0.014524  0.048465  0.702920  1
  Fe  Fe251  1  0.025842  0.739982  0.656176  1
  Fe  Fe252  1  0.018803  0.431803  0.608247  1
