# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58381067
_cell_length_b   10.83125219
_cell_length_c   46.19362759
_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   'Al96 Fe16'
_cell_volume   3794.44462353
_cell_formula_units_Z   16
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  0.819348  0.975391  0.341137  1
  Al  Al2  1  0.014435  0.399843  0.306428  1
  Al  Al3  1  0.876701  0.629119  0.296808  1
  Al  Al4  1  0.004334  0.493461  0.361732  1
  Al  Al5  1  0.702617  0.867589  0.293700  1
  Al  Al6  1  0.184469  0.310706  0.393502  1
  Al  Al7  1  1.000333  0.923046  0.391036  1
  Al  Al8  1  0.804192  0.236971  0.334005  1
  Al  Al9  1  0.207208  0.237143  0.335918  1
  Al  Al10  1  0.818319  0.722553  0.346792  1
  Al  Al11  1  0.003111  0.082599  0.299690  1
  Al  Al12  1  0.189430  0.974113  0.342698  1
  Al  Al13  1  0.317240  0.153218  0.284814  1
  Al  Al14  1  0.506894  0.299166  0.366375  1
  Al  Al15  1  0.323738  0.476497  0.337304  1
  Al  Al16  1  0.511108  0.668063  0.308527  1
  Al  Al17  1  0.193559  0.709755  0.343372  1
  Al  Al18  1  0.693650  0.481072  0.336585  1
  Al  Al19  1  0.498840  0.090010  0.334269  1
  Al  Al20  1  0.316922  0.082434  0.389425  1
  Al  Al21  1  0.687586  0.078828  0.388938  1
  Al  Al22  1  0.349247  0.907867  0.294446  1
  Al  Al23  1  0.508737  0.859535  0.345458  1
  Al  Al24  1  0.664624  0.114729  0.285650  1
  Al  Al25  1  0.822755  0.638517  0.449904  1
  Al  Al26  1  0.002625  0.127937  0.423453  1
  Al  Al27  1  0.823345  0.309421  0.393304  1
  Al  Al28  1  1.002042  0.154322  0.478448  1
  Al  Al29  1  0.692244  0.538081  0.399830  1
  Al  Al30  1  0.183587  0.969489  0.506546  1
  Al  Al31  1  1.001858  0.584533  0.501041  1
  Al  Al32  1  0.814128  0.908985  0.444936  1
  Al  Al33  1  0.189735  0.907488  0.444436  1
  Al  Al34  1  0.816679  0.371783  0.456487  1
  Al  Al35  1  0.005970  0.689963  0.398612  1
  Al  Al36  1  0.181898  0.637484  0.450106  1
  Al  Al37  1  0.321787  0.806646  0.394238  1
  Al  Al38  1  0.502483  0.954901  0.479229  1
  Al  Al39  1  0.320653  0.139552  0.450958  1
  Al  Al40  1  0.503160  0.323003  0.421742  1
  Al  Al41  1  0.189116  0.371356  0.456484  1
  Al  Al42  1  0.683672  0.139938  0.450666  1
  Al  Al43  1  0.500034  0.753669  0.445627  1
  Al  Al44  1  0.314652  0.737434  0.500373  1
  Al  Al45  1  0.689189  0.736972  0.500223  1
  Al  Al46  1  0.316867  0.539341  0.399791  1
  Al  Al47  1  0.502983  0.523214  0.455678  1
  Al  Al48  1  0.681613  0.804605  0.396137  1
  Al  Al49  1  0.823508  0.301843  0.562769  1
  Al  Al50  1  0.002474  0.784894  0.535029  1
  Al  Al51  1  0.821033  0.969163  0.506836  1
  Al  Al52  1  0.999015  0.808209  0.590240  1
  Al  Al53  1  0.690045  0.201206  0.512963  1
  Al  Al54  1  0.178625  0.630540  0.620612  1
  Al  Al55  1  0.999813  0.248185  0.613987  1
  Al  Al56  1  0.814446  0.568289  0.556786  1
  Al  Al57  1  0.188092  0.567568  0.556722  1
  Al  Al58  1  0.814957  0.030588  0.569008  1
  Al  Al59  1  0.003165  0.354678  0.512204  1
  Al  Al60  1  0.183041  0.300779  0.563324  1
  Al  Al61  1  0.321879  0.470082  0.506559  1
  Al  Al62  1  0.500582  0.615107  0.592285  1
  Al  Al63  1  0.320184  0.798611  0.563161  1
  Al  Al64  1  0.502031  0.983323  0.534204  1
  Al  Al65  1  0.190684  0.029129  0.568358  1
  Al  Al66  1  0.682709  0.799220  0.562666  1
  Al  Al67  1  0.501576  0.415833  0.557444  1
  Al  Al68  1  0.313431  0.402491  0.613387  1
  Al  Al69  1  0.687764  0.397306  0.612446  1
  Al  Al70  1  0.315453  0.201666  0.513205  1
  Al  Al71  1  0.506193  0.185136  0.567718  1
  Al  Al72  1  0.682898  0.469593  0.506680  1
  Al  Al73  1  0.812756  0.972650  0.669002  1
  Al  Al74  1  0.002259  0.444514  0.649557  1
  Al  Al75  1  0.815131  0.626233  0.621409  1
  Al  Al76  1  0.977801  0.508269  0.703754  1
  Al  Al77  1  0.683802  0.856259  0.624390  1
  Al  Al78  1  0.155393  0.302224  0.718323  1
  Al  Al79  1  0.977000  0.867680  0.713493  1
  Al  Al80  1  0.815897  0.236456  0.670297  1
  Al  Al81  1  0.189587  0.217215  0.666214  1
  Al  Al82  1  0.793259  0.705235  0.679761  1
  Al  Al83  1  0.007195  0.014417  0.621830  1
  Al  Al84  1  0.181185  0.961904  0.671799  1
  Al  Al85  1  0.323446  0.134640  0.616860  1
  Al  Al86  1  0.504657  0.270496  0.703896  1
  Al  Al87  1  0.310911  0.455980  0.675636  1
  Al  Al88  1  0.489721  0.655405  0.647911  1
  Al  Al89  1  0.186888  0.698688  0.681157  1
  Al  Al90  1  0.674680  0.467430  0.671874  1
  Al  Al91  1  0.495554  0.074918  0.667233  1
  Al  Al92  1  0.313881  0.063181  0.718587  1
  Al  Al93  1  0.677978  0.044778  0.718272  1
  Al  Al94  1  0.314048  0.861894  0.624755  1
  Al  Al95  1  0.497763  0.852841  0.688063  1
  Al  Al96  1  0.686429  0.130682  0.619346  1
  Fe  Fe97  1  1.001548  0.133668  0.369323  1
  Fe  Fe98  1  0.019979  0.841287  0.308510  1
  Fe  Fe99  1  0.510205  0.306212  0.311826  1
  Fe  Fe100  1  0.505924  0.646319  0.363465  1
  Fe  Fe101  1  0.002262  0.797294  0.480799  1
  Fe  Fe102  1  0.003638  0.478606  0.418531  1
  Fe  Fe103  1  0.501384  0.966814  0.425106  1
  Fe  Fe104  1  0.502598  0.310857  0.476248  1
  Fe  Fe105  1  1.000704  0.461583  0.594236  1
  Fe  Fe106  1  0.002506  0.141464  0.532617  1
  Fe  Fe107  1  0.501559  0.628633  0.537372  1
  Fe  Fe108  1  0.502940  0.972197  0.588400  1
  Fe  Fe109  1  0.995602  0.102883  0.703689  1
  Fe  Fe110  1  0.997317  0.804316  0.644532  1
  Fe  Fe111  1  0.500665  0.289218  0.649105  1
  Fe  Fe112  1  0.493024  0.624321  0.701409  1
