# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83742595
_cell_length_b   14.76173549
_cell_length_c   52.19914147
_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   6809.67784706
_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  1.001803  0.027590  0.365956  1
  Al  Al2  1  1.001899  0.395436  0.303825  1
  Al  Al3  1  0.599756  0.108162  0.321124  1
  Al  Al4  1  0.594726  0.479081  0.260297  1
  Al  Al5  1  0.502197  0.027590  0.365956  1
  Al  Al6  1  0.502101  0.395436  0.303825  1
  Al  Al7  1  0.403671  0.850951  0.365460  1
  Al  Al8  1  0.403257  0.219259  0.304223  1
  Al  Al9  1  0.252000  0.732213  0.272607  1
  Al  Al10  1  0.252000  0.360628  0.332079  1
  Al  Al11  1  0.502839  0.931406  0.320370  1
  Al  Al12  1  0.511490  0.290101  0.260964  1
  Al  Al13  1  0.904244  0.108162  0.321124  1
  Al  Al14  1  0.909274  0.479081  0.260297  1
  Al  Al15  1  0.752000  0.641587  0.264377  1
  Al  Al16  1  0.752000  0.284341  0.324083  1
  Al  Al17  1  0.752000  0.818371  0.338305  1
  Al  Al18  1  0.752000  0.185229  0.279980  1
  Al  Al19  1  0.252000  0.142129  0.347932  1
  Al  Al20  1  0.252000  0.508324  0.287497  1
  Al  Al21  1  0.100329  0.850951  0.365460  1
  Al  Al22  1  0.100743  0.219259  0.304223  1
  Al  Al23  1  1.001161  0.931406  0.320370  1
  Al  Al24  1  0.992510  0.290101  0.260964  1
  Al  Al25  1  0.002582  0.713043  0.334753  1
  Al  Al26  1  0.002353  0.081724  0.272297  1
  Al  Al27  1  0.598184  0.789705  0.289641  1
  Al  Al28  1  0.600783  0.425373  0.352875  1
  Al  Al29  1  0.501418  0.713043  0.334753  1
  Al  Al30  1  0.501647  0.081724  0.272297  1
  Al  Al31  1  0.401553  0.903993  0.272948  1
  Al  Al32  1  0.404197  0.534192  0.334678  1
  Al  Al33  1  0.252000  0.045121  0.300401  1
  Al  Al34  1  0.252000  0.675983  0.363966  1
  Al  Al35  1  0.499310  0.614035  0.290788  1
  Al  Al36  1  0.502779  0.247564  0.352491  1
  Al  Al37  1  0.905816  0.789705  0.289641  1
  Al  Al38  1  0.903216  0.425373  0.352875  1
  Al  Al39  1  0.752000  0.969474  0.291044  1
  Al  Al40  1  0.752000  0.599431  0.355235  1
  Al  Al41  1  0.752000  0.133169  0.370352  1
  Al  Al42  1  0.752000  0.503700  0.307113  1
  Al  Al43  1  0.252000  0.827129  0.316515  1
  Al  Al44  1  0.252000  0.188809  0.259953  1
  Al  Al45  1  0.102447  0.903993  0.272948  1
  Al  Al46  1  0.099803  0.534192  0.334678  1
  Al  Al47  1  0.004690  0.614035  0.290788  1
  Al  Al48  1  1.001221  0.247564  0.352491  1
  Al  Al49  1  0.002010  0.292199  0.491726  1
  Al  Al50  1  1.001936  0.660376  0.428984  1
  Al  Al51  1  0.600418  0.373812  0.446969  1
  Al  Al52  1  0.600530  0.741800  0.383951  1
  Al  Al53  1  0.501990  0.292199  0.491726  1
  Al  Al54  1  0.502064  0.660376  0.428984  1
  Al  Al55  1  0.403549  0.114898  0.491105  1
  Al  Al56  1  0.403630  0.482671  0.428471  1
  Al  Al57  1  0.252000  0.991369  0.394686  1
  Al  Al58  1  0.252000  0.623962  0.457650  1
  Al  Al59  1  0.502015  0.196342  0.446295  1
  Al  Al60  1  0.501921  0.564255  0.383766  1
  Al  Al61  1  0.903582  0.373812  0.446969  1
  Al  Al62  1  0.903470  0.741800  0.383951  1
  Al  Al63  1  0.752000  0.916572  0.385928  1
  Al  Al64  1  0.752000  0.549075  0.449060  1
  Al  Al65  1  0.752000  0.081819  0.464664  1
  Al  Al66  1  0.752000  0.449732  0.402163  1
  Al  Al67  1  0.252000  0.406859  0.473280  1
  Al  Al68  1  0.252000  0.774885  0.410514  1
  Al  Al69  1  0.100451  0.114898  0.491105  1
  Al  Al70  1  0.100369  0.482671  0.428471  1
  Al  Al71  1  1.001985  0.196342  0.446295  1
  Al  Al72  1  0.002079  0.564255  0.383766  1
  Al  Al73  1  1.001963  0.976304  0.460232  1
  Al  Al74  1  0.002084  0.343998  0.397701  1
  Al  Al75  1  0.600478  0.057625  0.415345  1
  Al  Al76  1  0.600387  0.690208  0.478250  1
  Al  Al77  1  0.502037  0.976304  0.460232  1
  Al  Al78  1  0.501916  0.343998  0.397701  1
  Al  Al79  1  0.403387  0.166335  0.397009  1
  Al  Al80  1  0.403614  0.799029  0.459687  1
  Al  Al81  1  0.252000  0.307466  0.426249  1
  Al  Al82  1  0.252000  0.940018  0.488895  1
  Al  Al83  1  0.502110  0.880358  0.414794  1
  Al  Al84  1  0.502024  0.512698  0.477672  1
  Al  Al85  1  0.903522  0.057625  0.415345  1
  Al  Al86  1  0.903613  0.690208  0.478250  1
  Al  Al87  1  0.752000  0.232457  0.417725  1
  Al  Al88  1  0.752000  0.865326  0.480313  1
  Al  Al89  1  0.752000  0.398023  0.496119  1
  Al  Al90  1  0.752000  0.765975  0.433313  1
  Al  Al91  1  0.252000  0.090785  0.441853  1
  Al  Al92  1  0.252000  0.458581  0.379301  1
  Al  Al93  1  0.100613  0.166335  0.397009  1
  Al  Al94  1  0.100386  0.799029  0.459687  1
  Al  Al95  1  1.001890  0.880358  0.414794  1
  Al  Al96  1  1.001975  0.512698  0.477672  1
  Al  Al97  1  1.001921  0.556926  0.616930  1
  Al  Al98  1  0.002015  0.924839  0.554402  1
  Al  Al99  1  0.600369  0.638510  0.572226  1
  Al  Al100  1  0.600451  0.006284  0.509591  1
  Al  Al101  1  0.502079  0.556926  0.616930  1
  Al  Al102  1  0.501985  0.924839  0.554402  1
  Al  Al103  1  0.403470  0.379381  0.616746  1
  Al  Al104  1  0.403582  0.747369  0.553728  1
  Al  Al105  1  0.252000  0.255856  0.520383  1
  Al  Al106  1  0.252000  0.888724  0.582972  1
  Al  Al107  1  0.501936  0.460805  0.571712  1
  Al  Al108  1  0.502010  0.828982  0.508970  1
  Al  Al109  1  0.903630  0.638510  0.572226  1
  Al  Al110  1  0.903549  0.006284  0.509591  1
  Al  Al111  1  0.752000  0.181163  0.511801  1
  Al  Al112  1  0.752000  0.813715  0.574447  1
  Al  Al113  1  0.752000  0.346296  0.590182  1
  Al  Al114  1  0.752000  0.714322  0.527416  1
  Al  Al115  1  0.252000  0.671449  0.598533  1
  Al  Al116  1  0.252000  0.039362  0.536032  1
  Al  Al117  1  0.100530  0.379381  0.616746  1
  Al  Al118  1  0.100418  0.747369  0.553728  1
  Al  Al119  1  0.002064  0.460805  0.571712  1
  Al  Al120  1  1.001990  0.828982  0.508970  1
  Al  Al121  1  0.002110  0.240823  0.585903  1
  Al  Al122  1  0.002024  0.608483  0.523024  1
  Al  Al123  1  0.600386  0.322152  0.541009  1
  Al  Al124  1  0.600613  0.954846  0.603688  1
  Al  Al125  1  0.501890  0.240823  0.585903  1
  Al  Al126  1  0.501975  0.608483  0.523024  1
  Al  Al127  1  0.403613  0.430973  0.522446  1
  Al  Al128  1  0.403522  0.063556  0.585351  1
  Al  Al129  1  0.252000  0.572106  0.551636  1
  Al  Al130  1  0.252000  0.204609  0.614768  1
  Al  Al131  1  0.501963  0.144877  0.540465  1
  Al  Al132  1  0.502084  0.777183  0.602995  1
  Al  Al133  1  0.903614  0.322152  0.541009  1
  Al  Al134  1  0.903387  0.954846  0.603688  1
  Al  Al135  1  0.752000  0.497219  0.543047  1
  Al  Al136  1  0.752000  0.129812  0.606011  1
  Al  Al137  1  0.752000  0.662600  0.621395  1
  Al  Al138  1  0.752000  0.030396  0.558843  1
  Al  Al139  1  0.252000  0.355207  0.567383  1
  Al  Al140  1  0.252000  0.723158  0.504577  1
  Al  Al141  1  0.100387  0.430973  0.522446  1
  Al  Al142  1  0.100478  0.063556  0.585351  1
  Al  Al143  1  0.002037  0.144877  0.540465  1
  Al  Al144  1  1.001916  0.777183  0.602995  1
  Al  Al145  1  0.011490  0.831080  0.739733  1
  Al  Al146  1  0.002839  0.189775  0.680326  1
  Al  Al147  1  0.600743  0.901922  0.696473  1
  Al  Al148  1  0.600329  0.270230  0.635237  1
  Al  Al149  1  0.492510  0.831080  0.739733  1
  Al  Al150  1  0.501161  0.189775  0.680326  1
  Al  Al151  1  0.409274  0.642100  0.740399  1
  Al  Al152  1  0.404244  0.013019  0.679573  1
  Al  Al153  1  0.252000  0.521750  0.645462  1
  Al  Al154  1  0.252000  0.151707  0.709653  1
  Al  Al155  1  0.501899  0.725745  0.696871  1
  Al  Al156  1  0.501803  0.093591  0.634741  1
  Al  Al157  1  0.903257  0.901922  0.696473  1
  Al  Al158  1  0.903671  0.270230  0.635237  1
  Al  Al159  1  0.752000  0.445198  0.636731  1
  Al  Al160  1  0.752000  0.076061  0.700296  1
  Al  Al161  1  0.752000  0.612857  0.713199  1
  Al  Al162  1  0.752000  0.979052  0.652764  1
  Al  Al163  1  0.252000  0.935952  0.720716  1
  Al  Al164  1  0.252000  0.302810  0.662391  1
  Al  Al165  1  0.094726  0.642100  0.740399  1
  Al  Al166  1  0.099756  0.013019  0.679573  1
  Al  Al167  1  0.002101  0.725745  0.696871  1
  Al  Al168  1  0.002197  0.093591  0.634741  1
  Al  Al169  1  0.999310  0.507146  0.709908  1
  Al  Al170  1  0.002779  0.873617  0.648205  1
  Al  Al171  1  0.599803  0.586990  0.666018  1
  Al  Al172  1  0.602447  0.217188  0.727749  1
  Al  Al173  1  0.504690  0.507146  0.709908  1
  Al  Al174  1  0.501221  0.873617  0.648205  1
  Al  Al175  1  0.403216  0.695808  0.647821  1
  Al  Al176  1  0.405816  0.331476  0.711055  1
  Al  Al177  1  0.252000  0.836840  0.676614  1
  Al  Al178  1  0.252000  0.479594  0.736319  1
  Al  Al179  1  0.502582  0.408138  0.665943  1
  Al  Al180  1  0.502353  0.039457  0.728399  1
  Al  Al181  1  0.904197  0.586990  0.666018  1
  Al  Al182  1  0.901553  0.217188  0.727749  1
  Al  Al183  1  0.752000  0.760553  0.668618  1
  Al  Al184  1  0.752000  0.388968  0.728089  1
  Al  Al185  1  0.752000  0.932372  0.740743  1
  Al  Al186  1  0.752000  0.294052  0.684181  1
  Al  Al187  1  0.252000  0.617481  0.693584  1
  Al  Al188  1  0.252000  0.988012  0.630344  1
  Al  Al189  1  0.100783  0.695808  0.647821  1
  Al  Al190  1  0.098184  0.331476  0.711055  1
  Al  Al191  1  1.001418  0.408138  0.665943  1
  Al  Al192  1  1.001647  0.039457  0.728399  1
  Fe  Fe193  1  0.752000  0.986364  0.341854  1
  Fe  Fe194  1  0.752000  0.356388  0.281021  1
  Fe  Fe195  1  0.252000  0.973425  0.344273  1
  Fe  Fe196  1  0.252000  0.341539  0.281976  1
  Fe  Fe197  1  0.752000  0.670868  0.312333  1
  Fe  Fe198  1  0.752000  0.302701  0.373989  1
  Fe  Fe199  1  0.252000  0.025388  0.251182  1
  Fe  Fe200  1  0.252000  0.656975  0.314803  1
  Fe  Fe201  1  0.752000  0.251047  0.467887  1
  Fe  Fe202  1  0.752000  0.619260  0.405183  1
  Fe  Fe203  1  0.252000  0.237600  0.470165  1
  Fe  Fe204  1  0.252000  0.605397  0.407626  1
  Fe  Fe205  1  0.752000  0.935082  0.436315  1
  Fe  Fe206  1  0.752000  0.567412  0.499187  1
  Fe  Fe207  1  0.252000  0.289360  0.376015  1
  Fe  Fe208  1  0.252000  0.921647  0.438673  1
  Fe  Fe209  1  0.752000  0.515784  0.593070  1
  Fe  Fe210  1  0.752000  0.883581  0.530531  1
  Fe  Fe211  1  0.252000  0.501921  0.595514  1
  Fe  Fe212  1  0.252000  0.870134  0.532809  1
  Fe  Fe213  1  0.752000  0.199535  0.562023  1
  Fe  Fe214  1  0.752000  0.831821  0.624682  1
  Fe  Fe215  1  0.252000  0.553770  0.501510  1
  Fe  Fe216  1  0.252000  0.186099  0.564381  1
  Fe  Fe217  1  0.752000  0.779642  0.718720  1
  Fe  Fe218  1  0.752000  0.147756  0.656424  1
  Fe  Fe219  1  0.252000  0.764794  0.719676  1
  Fe  Fe220  1  0.252000  0.134817  0.658843  1
  Fe  Fe221  1  0.752000  0.464207  0.685894  1
  Fe  Fe222  1  0.752000  0.095793  0.749514  1
  Fe  Fe223  1  0.252000  0.818480  0.626708  1
  Fe  Fe224  1  0.252000  0.450313  0.688363  1
