# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33577273
_cell_length_b   11.72811991
_cell_length_c   51.51747901
_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   3828.0939759
_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  0.509868  0.870126  0.302091  1
  Al  Al2  1  0.148820  0.284259  0.347375  1
  Al  Al3  1  0.487222  0.149557  0.356560  1
  Al  Al4  1  0.842353  0.175385  0.328038  1
  Al  Al5  1  0.698574  0.952772  0.344318  1
  Al  Al6  1  0.505773  0.306592  0.316223  1
  Al  Al7  1  0.146958  0.455606  0.381910  1
  Al  Al8  1  0.808274  0.289338  0.385381  1
  Al  Al9  1  0.802695  0.452772  0.344318  1
  Al  Al10  1  0.203443  -0.001122  0.331266  1
  Al  Al11  1  0.881165  0.001970  0.294575  1
  Al  Al12  1  0.497825  0.590130  0.372443  1
  Al  Al13  1  0.014048  0.649557  0.356560  1
  Al  Al14  1  0.620104  0.501970  0.294575  1
  Al  Al15  1  0.991402  0.370126  0.302091  1
  Al  Al16  1  0.354312  0.955606  0.381910  1
  Al  Al17  1  0.184732  0.172493  0.298158  1
  Al  Al18  1  0.003444  0.090130  0.372443  1
  Al  Al19  1  0.658916  0.675385  0.328038  1
  Al  Al20  1  0.297826  0.498878  0.331266  1
  Al  Al21  1  0.316538  0.672493  0.298158  1
  Al  Al22  1  0.692995  0.789338  0.385381  1
  Al  Al23  1  0.352450  0.784259  0.347375  1
  Al  Al24  1  0.995497  0.806592  0.316223  1
  Al  Al25  1  0.501817  0.437301  0.413046  1
  Al  Al26  1  0.148350  0.858714  0.459770  1
  Al  Al27  1  0.500072  0.725203  0.469005  1
  Al  Al28  1  0.853516  0.744811  0.437743  1
  Al  Al29  1  0.693917  0.525898  0.455789  1
  Al  Al30  1  0.502672  0.878519  0.428504  1
  Al  Al31  1  0.147962  0.032742  0.493728  1
  Al  Al32  1  0.807743  0.865800  0.497698  1
  Al  Al33  1  0.807352  0.025898  0.455789  1
  Al  Al34  1  0.194002  0.577768  0.441696  1
  Al  Al35  1  0.853958  0.571923  0.403512  1
  Al  Al36  1  0.499817  0.166303  0.484499  1
  Al  Al37  1  0.001197  0.225203  0.469005  1
  Al  Al38  1  0.647311  0.071923  0.403512  1
  Al  Al39  1  0.999452  0.937301  0.413046  1
  Al  Al40  1  0.353308  0.532742  0.493728  1
  Al  Al41  1  0.194417  0.737766  0.399896  1
  Al  Al42  1  0.001453  0.666303  0.484499  1
  Al  Al43  1  0.647754  0.244811  0.437743  1
  Al  Al44  1  0.307267  0.077768  0.441696  1
  Al  Al45  1  0.306853  0.237766  0.399896  1
  Al  Al46  1  0.693527  0.365800  0.497698  1
  Al  Al47  1  0.352919  0.358714  0.459770  1
  Al  Al48  1  0.998597  0.378519  0.428504  1
  Al  Al49  1  0.501453  0.013107  0.525031  1
  Al  Al50  1  0.147754  0.434599  0.571787  1
  Al  Al51  1  0.498597  0.300892  0.581027  1
  Al  Al52  1  0.852919  0.320697  0.549760  1
  Al  Al53  1  0.694002  0.101643  0.567834  1
  Al  Al54  1  0.501197  0.454208  0.540526  1
  Al  Al55  1  0.147311  0.607488  0.606019  1
  Al  Al56  1  0.806853  0.441644  0.609635  1
  Al  Al57  1  0.807267  0.601643  0.567834  1
  Al  Al58  1  0.193917  0.153512  0.553742  1
  Al  Al59  1  0.853308  0.146669  0.515803  1
  Al  Al60  1  0.499452  0.742109  0.596485  1
  Al  Al61  1  0.002672  0.800892  0.581027  1
  Al  Al62  1  0.647962  0.646669  0.515803  1
  Al  Al63  1  0.999817  0.513107  0.525031  1
  Al  Al64  1  0.353958  0.107488  0.606019  1
  Al  Al65  1  0.193527  0.313610  0.511833  1
  Al  Al66  1  0.001817  0.242109  0.596485  1
  Al  Al67  1  0.648350  0.820697  0.549760  1
  Al  Al68  1  0.307352  0.653512  0.553742  1
  Al  Al69  1  0.307743  0.813610  0.511833  1
  Al  Al70  1  0.694417  0.941644  0.609635  1
  Al  Al71  1  0.353516  0.934599  0.571787  1
  Al  Al72  1  1.000072  0.954208  0.540526  1
  Al  Al73  1  0.503444  0.589280  0.637087  1
  Al  Al74  1  0.158916  0.004026  0.681492  1
  Al  Al75  1  0.495497  0.872818  0.693307  1
  Al  Al76  1  0.852450  0.895152  0.662155  1
  Al  Al77  1  0.703443  0.680532  0.678265  1
  Al  Al78  1  0.514048  0.029854  0.652970  1
  Al  Al79  1  0.120104  0.177440  0.714956  1
  Al  Al80  1  0.816538  0.006918  0.711372  1
  Al  Al81  1  0.797826  0.180532  0.678265  1
  Al  Al82  1  0.198574  0.726638  0.665212  1
  Al  Al83  1  0.854312  0.723805  0.627621  1
  Al  Al84  1  0.491402  0.309284  0.707440  1
  Al  Al85  1  0.005773  0.372818  0.693307  1
  Al  Al86  1  0.646958  0.223805  0.627621  1
  Al  Al87  1  0.997825  0.089280  0.637087  1
  Al  Al88  1  0.381165  0.677440  0.714956  1
  Al  Al89  1  0.192995  0.890073  0.624150  1
  Al  Al90  1  0.009868  0.809284  0.707440  1
  Al  Al91  1  0.648820  0.395152  0.662155  1
  Al  Al92  1  0.302695  0.226638  0.665212  1
  Al  Al93  1  0.308274  0.390073  0.624150  1
  Al  Al94  1  0.684732  0.506918  0.711372  1
  Al  Al95  1  0.342353  0.504026  0.681492  1
  Al  Al96  1  0.987222  0.529854  0.652970  1
  Fe  Fe97  1  0.481718  0.368496  0.364944  1
  Fe  Fe98  1  0.527687  0.083729  0.309519  1
  Fe  Fe99  1  0.973582  0.583729  0.309519  1
  Fe  Fe100  1  0.019551  0.868496  0.364944  1
  Fe  Fe101  1  0.482096  0.945778  0.476769  1
  Fe  Fe102  1  0.519870  0.657790  0.420683  1
  Fe  Fe103  1  0.981400  0.157790  0.420683  1
  Fe  Fe104  1  0.019173  0.445778  0.476769  1
  Fe  Fe105  1  0.481400  0.521621  0.588848  1
  Fe  Fe106  1  0.519173  0.233632  0.532762  1
  Fe  Fe107  1  0.982096  0.733632  0.532762  1
  Fe  Fe108  1  0.019870  0.021621  0.588848  1
  Fe  Fe109  1  0.473582  0.095682  0.700012  1
  Fe  Fe110  1  0.519551  0.810914  0.644586  1
  Fe  Fe111  1  0.981718  0.310914  0.644586  1
  Fe  Fe112  1  0.027687  0.595682  0.700012  1
