# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58448399
_cell_length_b   8.80699142
_cell_length_c   50.81106904
_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   3394.00082963
_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  0.821161  1.003716  0.319143  1
  Al  Al2  1  0.002030  0.407281  0.364019  1
  Al  Al3  1  0.821161  0.503754  0.319143  1
  Al  Al4  1  0.002030  0.596050  0.275235  1
  Al  Al5  1  0.683803  0.753735  0.296176  1
  Al  Al6  1  0.182900  0.503754  0.319143  1
  Al  Al7  1  0.002030  0.100188  0.364019  1
  Al  Al8  1  0.810976  0.253735  0.283321  1
  Al  Al9  1  0.193084  0.253735  0.283321  1
  Al  Al10  1  0.815263  0.753735  0.357962  1
  Al  Al11  1  0.002030  0.911420  0.275235  1
  Al  Al12  1  0.182900  1.003716  0.319143  1
  Al  Al13  1  0.325921  0.995268  0.262560  1
  Al  Al14  1  0.502030  0.401051  0.302933  1
  Al  Al15  1  0.325921  0.512201  0.262560  1
  Al  Al16  1  0.502030  0.602031  0.338728  1
  Al  Al17  1  0.188798  0.753735  0.357962  1
  Al  Al18  1  0.678139  0.512201  0.262560  1
  Al  Al19  1  0.502030  0.106418  0.302933  1
  Al  Al20  1  0.313101  0.253735  0.344484  1
  Al  Al21  1  0.690960  0.253735  0.344484  1
  Al  Al22  1  0.320258  0.753735  0.296176  1
  Al  Al23  1  0.502030  0.905438  0.338728  1
  Al  Al24  1  0.678139  0.995268  0.262560  1
  Al  Al25  1  0.820712  1.003717  0.445546  1
  Al  Al26  1  0.002030  0.405817  0.489668  1
  Al  Al27  1  0.820712  0.503753  0.445546  1
  Al  Al28  1  0.002030  0.602144  0.401413  1
  Al  Al29  1  0.688919  0.753735  0.421246  1
  Al  Al30  1  0.183348  0.503753  0.445546  1
  Al  Al31  1  0.002030  0.101653  0.489668  1
  Al  Al32  1  0.815476  0.253735  0.407106  1
  Al  Al33  1  0.188584  0.253735  0.407106  1
  Al  Al34  1  0.815166  0.753735  0.484037  1
  Al  Al35  1  0.002030  0.905326  0.401413  1
  Al  Al36  1  0.183348  1.003717  0.445546  1
  Al  Al37  1  0.320494  1.003386  0.382825  1
  Al  Al38  1  0.502030  0.405743  0.426891  1
  Al  Al39  1  0.320494  0.504083  0.382825  1
  Al  Al40  1  0.502030  0.601767  0.464182  1
  Al  Al41  1  0.188895  0.753735  0.484037  1
  Al  Al42  1  0.683567  0.504083  0.382825  1
  Al  Al43  1  0.502030  0.101727  0.426891  1
  Al  Al44  1  0.315216  0.253735  0.469834  1
  Al  Al45  1  0.688845  0.253735  0.469834  1
  Al  Al46  1  0.315142  0.753735  0.421246  1
  Al  Al47  1  0.502030  0.905703  0.464182  1
  Al  Al48  1  0.683567  1.003386  0.382825  1
  Al  Al49  1  0.820525  1.003658  0.571064  1
  Al  Al50  1  0.002030  0.405117  0.615027  1
  Al  Al51  1  0.820525  0.503812  0.571064  1
  Al  Al52  1  0.002030  0.601782  0.526986  1
  Al  Al53  1  0.688665  0.753735  0.546819  1
  Al  Al54  1  0.183536  0.503812  0.571064  1
  Al  Al55  1  0.002030  0.102352  0.615027  1
  Al  Al56  1  0.815031  0.253735  0.532557  1
  Al  Al57  1  0.189030  0.253735  0.532557  1
  Al  Al58  1  0.813866  0.753735  0.609518  1
  Al  Al59  1  0.002030  0.905687  0.526986  1
  Al  Al60  1  0.183536  1.003658  0.571064  1
  Al  Al61  1  0.320720  1.003699  0.508310  1
  Al  Al62  1  0.502030  0.405957  0.552464  1
  Al  Al63  1  0.320720  0.503771  0.508310  1
  Al  Al64  1  0.502030  0.601914  0.589916  1
  Al  Al65  1  0.190195  0.753735  0.609518  1
  Al  Al66  1  0.683341  0.503771  0.508310  1
  Al  Al67  1  0.502030  0.101512  0.552464  1
  Al  Al68  1  0.315139  0.253735  0.595352  1
  Al  Al69  1  0.688922  0.253735  0.595352  1
  Al  Al70  1  0.315395  0.753735  0.546819  1
  Al  Al71  1  0.502030  0.905556  0.589916  1
  Al  Al72  1  0.683341  1.003699  0.508310  1
  Al  Al73  1  0.821993  0.004451  0.695289  1
  Al  Al74  1  0.002030  0.421401  0.739068  1
  Al  Al75  1  0.821993  0.503018  0.695289  1
  Al  Al76  1  0.002030  0.601919  0.651838  1
  Al  Al77  1  0.683576  0.753735  0.673973  1
  Al  Al78  1  0.182067  0.503018  0.695289  1
  Al  Al79  1  0.002030  0.086069  0.739068  1
  Al  Al80  1  0.814670  0.253735  0.658161  1
  Al  Al81  1  0.189391  0.253735  0.658161  1
  Al  Al82  1  0.805161  0.753735  0.730955  1
  Al  Al83  1  0.002030  0.905550  0.651838  1
  Al  Al84  1  0.182067  0.004451  0.695289  1
  Al  Al85  1  0.320932  1.003547  0.634000  1
  Al  Al86  1  0.502030  0.405181  0.677967  1
  Al  Al87  1  0.320932  0.503923  0.634000  1
  Al  Al88  1  0.502030  0.593003  0.716372  1
  Al  Al89  1  0.198900  0.753735  0.730955  1
  Al  Al90  1  0.683129  0.503923  0.634000  1
  Al  Al91  1  0.502030  0.102289  0.677967  1
  Al  Al92  1  0.312477  0.253735  0.719334  1
  Al  Al93  1  0.691583  0.253735  0.719334  1
  Al  Al94  1  0.320485  0.753735  0.673973  1
  Al  Al95  1  0.502030  0.914467  0.716372  1
  Al  Al96  1  0.683129  1.003547  0.634000  1
  Fe  Fe97  1  0.002030  0.253735  0.323030  1
  Fe  Fe98  1  0.002030  0.753735  0.316872  1
  Fe  Fe99  1  0.502030  0.253735  0.260385  1
  Fe  Fe100  1  0.502030  0.753735  0.380406  1
  Fe  Fe101  1  0.002030  0.253735  0.447945  1
  Fe  Fe102  1  0.002030  0.753735  0.443207  1
  Fe  Fe103  1  0.502030  0.253735  0.385156  1
  Fe  Fe104  1  0.502030  0.753735  0.505953  1
  Fe  Fe105  1  0.002030  0.253735  0.573300  1
  Fe  Fe106  1  0.002030  0.753735  0.568785  1
  Fe  Fe107  1  0.502030  0.253735  0.510692  1
  Fe  Fe108  1  0.502030  0.753735  0.632103  1
  Fe  Fe109  1  0.002030  0.253735  0.698600  1
  Fe  Fe110  1  0.002030  0.753735  0.692419  1
  Fe  Fe111  1  0.502030  0.253735  0.636149  1
  Fe  Fe112  1  0.502030  0.753735  0.756255  1
