# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59243080
_cell_length_b   18.65800286
_cell_length_c   53.82547569
_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   7624.89511933
_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  0.817278  0.665389  0.333417  1
  Al  Al2  1  0.819711  0.107791  0.388541  1
  Al  Al3  1  0.001505  0.908936  0.284064  1
  Al  Al4  1  0.001505  0.348240  0.337531  1
  Al  Al5  1  0.819881  0.888378  0.358615  1
  Al  Al6  1  0.820872  0.442987  0.308268  1
  Al  Al7  1  0.001505  0.973981  0.326129  1
  Al  Al8  1  0.001505  0.413649  0.380539  1
  Al  Al9  1  0.687449  0.022205  0.351723  1
  Al  Al10  1  0.679382  0.578444  0.298728  1
  Al  Al11  1  0.183129  0.888378  0.358615  1
  Al  Al12  1  0.182138  0.442987  0.308268  1
  Al  Al13  1  0.001505  0.670125  0.377463  1
  Al  Al14  1  0.001505  0.215529  0.313914  1
  Al  Al15  1  0.810477  0.809956  0.312713  1
  Al  Al16  1  0.814264  0.254157  0.367717  1
  Al  Al17  1  0.192532  0.809956  0.312713  1
  Al  Al18  1  0.188746  0.254157  0.367717  1
  Al  Al19  1  0.822631  0.079457  0.299857  1
  Al  Al20  1  0.816314  0.522347  0.351809  1
  Al  Al21  1  0.001505  0.108591  0.344560  1
  Al  Al22  1  0.001505  0.688578  0.292308  1
  Al  Al23  1  0.185732  0.665389  0.333417  1
  Al  Al24  1  0.183299  0.107791  0.388541  1
  Al  Al25  1  0.327972  0.716615  0.279570  1
  Al  Al26  1  0.318117  0.164628  0.334394  1
  Al  Al27  1  0.501505  0.859953  0.337861  1
  Al  Al28  1  0.501505  0.405902  0.284375  1
  Al  Al29  1  0.320544  0.945664  0.306642  1
  Al  Al30  1  0.317549  0.387311  0.357191  1
  Al  Al31  1  0.501505  0.914267  0.381598  1
  Al  Al32  1  0.501505  0.472136  0.325733  1
  Al  Al33  1  0.180379  0.079457  0.299857  1
  Al  Al34  1  0.186696  0.522347  0.351809  1
  Al  Al35  1  0.682465  0.945664  0.306642  1
  Al  Al36  1  0.685461  0.387311  0.357191  1
  Al  Al37  1  0.501505  0.726113  0.321986  1
  Al  Al38  1  0.501505  0.170990  0.377827  1
  Al  Al39  1  0.314320  0.755625  0.367836  1
  Al  Al40  1  0.307413  0.305016  0.311880  1
  Al  Al41  1  0.688690  0.755625  0.367836  1
  Al  Al42  1  0.695597  0.305016  0.311880  1
  Al  Al43  1  0.315561  0.022205  0.351723  1
  Al  Al44  1  0.323628  0.578444  0.298728  1
  Al  Al45  1  0.501505  0.188469  0.293111  1
  Al  Al46  1  0.501505  0.604774  0.343611  1
  Al  Al47  1  0.675037  0.716615  0.279570  1
  Al  Al48  1  0.684892  0.164628  0.334394  1
  Al  Al49  1  0.820975  0.551469  0.443439  1
  Al  Al50  1  0.820610  0.995217  0.499559  1
  Al  Al51  1  0.001505  0.806259  0.393455  1
  Al  Al52  1  0.001505  0.247919  0.449370  1
  Al  Al53  1  0.819720  0.773484  0.471577  1
  Al  Al54  1  0.820166  0.330341  0.415171  1
  Al  Al55  1  0.001505  0.856593  0.437843  1
  Al  Al56  1  0.001505  0.299853  0.493535  1
  Al  Al57  1  0.688347  0.906649  0.463944  1
  Al  Al58  1  0.688997  0.462989  0.407655  1
  Al  Al59  1  0.183289  0.773484  0.471577  1
  Al  Al60  1  0.182844  0.330341  0.415171  1
  Al  Al61  1  0.001505  0.555368  0.488210  1
  Al  Al62  1  0.001505  0.112674  0.433012  1
  Al  Al63  1  0.814496  0.697587  0.423402  1
  Al  Al64  1  0.814521  0.140635  0.479238  1
  Al  Al65  1  0.188513  0.697587  0.423402  1
  Al  Al66  1  0.188489  0.140635  0.479238  1
  Al  Al67  1  0.814421  0.963046  0.408026  1
  Al  Al68  1  0.814928  0.406481  0.463585  1
  Al  Al69  1  0.001505  0.991306  0.454743  1
  Al  Al70  1  0.001505  0.547947  0.398629  1
  Al  Al71  1  0.182035  0.551469  0.443439  1
  Al  Al72  1  0.182400  0.995217  0.499559  1
  Al  Al73  1  0.321013  0.607957  0.388012  1
  Al  Al74  1  0.320765  0.051757  0.443727  1
  Al  Al75  1  0.501505  0.747164  0.449489  1
  Al  Al76  1  0.501505  0.307984  0.392857  1
  Al  Al77  1  0.320043  0.830401  0.415691  1
  Al  Al78  1  0.319558  0.273565  0.471496  1
  Al  Al79  1  0.501505  0.800147  0.493556  1
  Al  Al80  1  0.501505  0.356205  0.437608  1
  Al  Al81  1  0.188589  0.963046  0.408026  1
  Al  Al82  1  0.188082  0.406481  0.463585  1
  Al  Al83  1  0.682967  0.830401  0.415691  1
  Al  Al84  1  0.683451  0.273565  0.471496  1
  Al  Al85  1  0.501505  0.612235  0.432644  1
  Al  Al86  1  0.501505  0.055636  0.488481  1
  Al  Al87  1  0.314448  0.640278  0.479036  1
  Al  Al88  1  0.314717  0.198255  0.423453  1
  Al  Al89  1  0.688562  0.640278  0.479036  1
  Al  Al90  1  0.688293  0.198255  0.423453  1
  Al  Al91  1  0.314663  0.906649  0.463944  1
  Al  Al92  1  0.314013  0.462989  0.407655  1
  Al  Al93  1  0.501505  0.048243  0.398869  1
  Al  Al94  1  0.501505  0.491055  0.454443  1
  Al  Al95  1  0.681996  0.607957  0.388012  1
  Al  Al96  1  0.682245  0.051757  0.443727  1
  Al  Al97  1  0.820765  0.438442  0.555098  1
  Al  Al98  1  0.821013  0.882242  0.610814  1
  Al  Al99  1  0.001505  0.690052  0.505269  1
  Al  Al100  1  0.001505  0.133994  0.561217  1
  Al  Al101  1  0.820043  0.659798  0.583134  1
  Al  Al102  1  0.819558  0.216634  0.527330  1
  Al  Al103  1  0.001505  0.743035  0.549336  1
  Al  Al104  1  0.001505  0.182216  0.605968  1
  Al  Al105  1  0.688513  0.792612  0.575423  1
  Al  Al106  1  0.688489  0.349564  0.519588  1
  Al  Al107  1  0.182967  0.659798  0.583134  1
  Al  Al108  1  0.183451  0.216634  0.527330  1
  Al  Al109  1  0.001505  0.441956  0.599956  1
  Al  Al110  1  0.001505  0.999144  0.544383  1
  Al  Al111  1  0.814663  0.583551  0.534881  1
  Al  Al112  1  0.814013  0.027211  0.591170  1
  Al  Al113  1  0.188347  0.583551  0.534881  1
  Al  Al114  1  0.188997  0.027211  0.591170  1
  Al  Al115  1  0.814448  0.849921  0.519790  1
  Al  Al116  1  0.814717  0.291944  0.575373  1
  Al  Al117  1  0.001505  0.877965  0.566182  1
  Al  Al118  1  0.001505  0.434563  0.510344  1
  Al  Al119  1  0.182245  0.438442  0.555098  1
  Al  Al120  1  0.181996  0.882242  0.610814  1
  Al  Al121  1  0.320610  0.494982  0.499267  1
  Al  Al122  1  0.320975  0.938730  0.555386  1
  Al  Al123  1  0.501505  0.633607  0.560983  1
  Al  Al124  1  0.501505  0.190346  0.505291  1
  Al  Al125  1  0.319720  0.716715  0.527248  1
  Al  Al126  1  0.320166  0.159858  0.583655  1
  Al  Al127  1  0.501505  0.683941  0.605370  1
  Al  Al128  1  0.501505  0.242281  0.549456  1
  Al  Al129  1  0.188562  0.849921  0.519790  1
  Al  Al130  1  0.188293  0.291944  0.575373  1
  Al  Al131  1  0.683289  0.716715  0.527248  1
  Al  Al132  1  0.682844  0.159858  0.583655  1
  Al  Al133  1  0.501505  0.498893  0.544083  1
  Al  Al134  1  0.501505  0.942253  0.600197  1
  Al  Al135  1  0.314421  0.527153  0.590799  1
  Al  Al136  1  0.314928  0.083718  0.535241  1
  Al  Al137  1  0.688589  0.527153  0.590799  1
  Al  Al138  1  0.688082  0.083718  0.535241  1
  Al  Al139  1  0.314496  0.792612  0.575423  1
  Al  Al140  1  0.314521  0.349564  0.519588  1
  Al  Al141  1  0.501505  0.934831  0.510616  1
  Al  Al142  1  0.501505  0.377526  0.565813  1
  Al  Al143  1  0.682400  0.494982  0.499267  1
  Al  Al144  1  0.682035  0.938730  0.555386  1
  Al  Al145  1  0.818117  0.325571  0.664432  1
  Al  Al146  1  0.827972  0.773584  0.719256  1
  Al  Al147  1  0.001505  0.575933  0.617227  1
  Al  Al148  1  0.001505  0.018063  0.673093  1
  Al  Al149  1  0.820544  0.544535  0.692184  1
  Al  Al150  1  0.817549  0.102888  0.641634  1
  Al  Al151  1  0.001505  0.630246  0.660965  1
  Al  Al152  1  0.001505  0.084297  0.714451  1
  Al  Al153  1  0.692532  0.680244  0.686113  1
  Al  Al154  1  0.688746  0.236042  0.631109  1
  Al  Al155  1  0.182465  0.544535  0.692184  1
  Al  Al156  1  0.185461  0.102888  0.641634  1
  Al  Al157  1  0.001505  0.301730  0.705715  1
  Al  Al158  1  0.001505  0.885425  0.655215  1
  Al  Al159  1  0.815561  0.467995  0.647102  1
  Al  Al160  1  0.823628  0.911756  0.700098  1
  Al  Al161  1  0.187449  0.467995  0.647102  1
  Al  Al162  1  0.179382  0.911756  0.700098  1
  Al  Al163  1  0.814320  0.734574  0.630989  1
  Al  Al164  1  0.807413  0.185184  0.686945  1
  Al  Al165  1  0.001505  0.764086  0.676840  1
  Al  Al166  1  0.001505  0.319210  0.620999  1
  Al  Al167  1  0.184892  0.325571  0.664432  1
  Al  Al168  1  0.175037  0.773584  0.719256  1
  Al  Al169  1  0.319711  0.382408  0.610285  1
  Al  Al170  1  0.317278  0.824811  0.665409  1
  Al  Al171  1  0.501505  0.516219  0.672696  1
  Al  Al172  1  0.501505  0.076551  0.618287  1
  Al  Al173  1  0.319881  0.601821  0.640211  1
  Al  Al174  1  0.320872  0.047212  0.690557  1
  Al  Al175  1  0.501505  0.581263  0.714761  1
  Al  Al176  1  0.501505  0.141960  0.661294  1
  Al  Al177  1  0.188690  0.734574  0.630989  1
  Al  Al178  1  0.195597  0.185184  0.686945  1
  Al  Al179  1  0.683129  0.601821  0.640211  1
  Al  Al180  1  0.682138  0.047212  0.690557  1
  Al  Al181  1  0.501505  0.381609  0.654266  1
  Al  Al182  1  0.501505  0.801621  0.706517  1
  Al  Al183  1  0.322631  0.410742  0.698968  1
  Al  Al184  1  0.316314  0.967852  0.647017  1
  Al  Al185  1  0.680379  0.410742  0.698968  1
  Al  Al186  1  0.686696  0.967852  0.647017  1
  Al  Al187  1  0.310477  0.680244  0.686113  1
  Al  Al188  1  0.314264  0.236042  0.631109  1
  Al  Al189  1  0.501505  0.820074  0.621362  1
  Al  Al190  1  0.501505  0.274670  0.684912  1
  Al  Al191  1  0.683299  0.382408  0.610285  1
  Al  Al192  1  0.685732  0.824811  0.665409  1
  Fe  Fe193  1  0.001505  0.773646  0.348149  1
  Fe  Fe194  1  0.001505  0.335516  0.291622  1
  Fe  Fe195  1  0.001505  0.999867  0.371731  1
  Fe  Fe196  1  0.001505  0.562338  0.314300  1
  Fe  Fe197  1  0.501505  0.832150  0.292268  1
  Fe  Fe198  1  0.501505  0.273406  0.347775  1
  Fe  Fe199  1  0.501505  0.062885  0.314708  1
  Fe  Fe200  1  0.501505  0.497974  0.371379  1
  Fe  Fe201  1  0.001505  0.660748  0.459652  1
  Fe  Fe202  1  0.001505  0.216993  0.403940  1
  Fe  Fe203  1  0.001505  0.886141  0.483426  1
  Fe  Fe204  1  0.001505  0.442252  0.426878  1
  Fe  Fe205  1  0.501505  0.717368  0.403927  1
  Fe  Fe206  1  0.501505  0.160876  0.459722  1
  Fe  Fe207  1  0.501505  0.942776  0.427448  1
  Fe  Fe208  1  0.501505  0.386045  0.483192  1
  Fe  Fe209  1  0.001505  0.547424  0.571377  1
  Fe  Fe210  1  0.001505  0.104154  0.515634  1
  Fe  Fe211  1  0.001505  0.772832  0.594899  1
  Fe  Fe212  1  0.001505  0.329323  0.539103  1
  Fe  Fe213  1  0.501505  0.604058  0.515400  1
  Fe  Fe214  1  0.501505  0.047947  0.571948  1
  Fe  Fe215  1  0.501505  0.829451  0.539174  1
  Fe  Fe216  1  0.501505  0.273206  0.594886  1
  Fe  Fe217  1  0.001505  0.427315  0.684118  1
  Fe  Fe218  1  0.001505  0.992225  0.627446  1
  Fe  Fe219  1  0.001505  0.658050  0.706558  1
  Fe  Fe220  1  0.001505  0.216793  0.651051  1
  Fe  Fe221  1  0.501505  0.490332  0.627095  1
  Fe  Fe222  1  0.501505  0.927861  0.684526  1
  Fe  Fe223  1  0.501505  0.716554  0.650677  1
  Fe  Fe224  1  0.501505  0.154683  0.707204  1
