# generated using pymatgen
data_AlFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47637543
_cell_length_b   12.62290602
_cell_length_c   46.15491849
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe3
_chemical_formula_sum   'Al32 Fe96'
_cell_volume   3190.58670088
_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  0.013811  0.693132  0.300336  1
  Al  Al2  1  0.013811  0.095512  0.360231  1
  Al  Al3  1  0.513811  0.891215  0.331220  1
  Al  Al4  1  0.513811  0.515735  0.276659  1
  Al  Al5  1  0.513811  0.595512  0.360231  1
  Al  Al6  1  0.513811  0.193132  0.300336  1
  Al  Al7  1  0.013811  0.015735  0.276659  1
  Al  Al8  1  0.013811  0.391215  0.331220  1
  Al  Al9  1  0.013811  0.489822  0.413790  1
  Al  Al10  1  0.013811  0.886988  0.469666  1
  Al  Al11  1  0.513811  0.688709  0.443208  1
  Al  Al12  1  0.513811  0.290082  0.386050  1
  Al  Al13  1  0.513811  0.386988  0.469666  1
  Al  Al14  1  0.513811  0.989822  0.413790  1
  Al  Al15  1  0.013811  0.790082  0.386050  1
  Al  Al16  1  0.013811  0.188709  0.443208  1
  Al  Al17  1  0.013811  0.284366  0.525811  1
  Al  Al18  1  0.013811  0.680387  0.579848  1
  Al  Al19  1  0.513811  0.482636  0.553949  1
  Al  Al20  1  0.513811  0.084635  0.497265  1
  Al  Al21  1  0.513811  0.180387  0.579848  1
  Al  Al22  1  0.513811  0.784366  0.525811  1
  Al  Al23  1  0.013811  0.584635  0.497265  1
  Al  Al24  1  0.013811  0.982636  0.553949  1
  Al  Al25  1  0.013811  0.079980  0.637808  1
  Al  Al26  1  0.013811  0.471576  0.692097  1
  Al  Al27  1  0.513811  0.277253  0.661831  1
  Al  Al28  1  0.513811  0.879028  0.609244  1
  Al  Al29  1  0.513811  0.971576  0.692097  1
  Al  Al30  1  0.513811  0.579980  0.637808  1
  Al  Al31  1  0.013811  0.379028  0.609244  1
  Al  Al32  1  0.013811  0.777253  0.661831  1
  Fe  Fe33  1  0.513811  0.696444  0.302348  1
  Fe  Fe34  1  0.513811  0.092963  0.360651  1
  Fe  Fe35  1  0.266535  0.441396  0.372465  1
  Fe  Fe36  1  0.266322  0.045261  0.319424  1
  Fe  Fe37  1  0.261300  0.545261  0.319424  1
  Fe  Fe38  1  0.261087  0.941396  0.372465  1
  Fe  Fe39  1  0.013811  0.893465  0.330290  1
  Fe  Fe40  1  0.013811  0.508953  0.276400  1
  Fe  Fe41  1  0.762471  0.851979  0.288017  1
  Fe  Fe42  1  0.758191  0.241456  0.343779  1
  Fe  Fe43  1  0.769431  0.741456  0.343779  1
  Fe  Fe44  1  0.765151  0.351979  0.288017  1
  Fe  Fe45  1  0.013811  0.592963  0.360651  1
  Fe  Fe46  1  0.013811  0.196444  0.302348  1
  Fe  Fe47  1  0.766322  0.545261  0.319424  1
  Fe  Fe48  1  0.766535  0.941396  0.372465  1
  Fe  Fe49  1  0.761087  0.441396  0.372465  1
  Fe  Fe50  1  0.761300  0.045261  0.319424  1
  Fe  Fe51  1  0.513811  0.008953  0.276400  1
  Fe  Fe52  1  0.513811  0.393465  0.330290  1
  Fe  Fe53  1  0.258191  0.741456  0.343779  1
  Fe  Fe54  1  0.262471  0.351979  0.288017  1
  Fe  Fe55  1  0.265151  0.851979  0.288017  1
  Fe  Fe56  1  0.269431  0.241456  0.343779  1
  Fe  Fe57  1  0.513811  0.489403  0.414259  1
  Fe  Fe58  1  0.513811  0.886483  0.469994  1
  Fe  Fe59  1  0.265028  0.236958  0.484318  1
  Fe  Fe60  1  0.265060  0.838556  0.427904  1
  Fe  Fe61  1  0.262562  0.338556  0.427904  1
  Fe  Fe62  1  0.262594  0.736958  0.484318  1
  Fe  Fe63  1  0.013811  0.689181  0.442788  1
  Fe  Fe64  1  0.013811  0.291106  0.385511  1
  Fe  Fe65  1  0.762373  0.642178  0.401470  1
  Fe  Fe66  1  0.762446  0.036859  0.455710  1
  Fe  Fe67  1  0.765176  0.536859  0.455710  1
  Fe  Fe68  1  0.765250  0.142178  0.401470  1
  Fe  Fe69  1  0.013811  0.386483  0.469994  1
  Fe  Fe70  1  0.013811  0.989403  0.414259  1
  Fe  Fe71  1  0.765060  0.338556  0.427904  1
  Fe  Fe72  1  0.765028  0.736958  0.484318  1
  Fe  Fe73  1  0.762594  0.236958  0.484318  1
  Fe  Fe74  1  0.762562  0.838556  0.427904  1
  Fe  Fe75  1  0.513811  0.791106  0.385511  1
  Fe  Fe76  1  0.513811  0.189181  0.442788  1
  Fe  Fe77  1  0.262446  0.536859  0.455710  1
  Fe  Fe78  1  0.262373  0.142178  0.401470  1
  Fe  Fe79  1  0.265250  0.642178  0.401470  1
  Fe  Fe80  1  0.265176  0.036859  0.455710  1
  Fe  Fe81  1  0.513811  0.283869  0.526009  1
  Fe  Fe82  1  0.513811  0.679930  0.580171  1
  Fe  Fe83  1  0.265027  0.031237  0.595715  1
  Fe  Fe84  1  0.264839  0.631990  0.538776  1
  Fe  Fe85  1  0.262783  0.131990  0.538776  1
  Fe  Fe86  1  0.262595  0.531237  0.595715  1
  Fe  Fe87  1  0.013811  0.482950  0.553591  1
  Fe  Fe88  1  0.013811  0.085246  0.497078  1
  Fe  Fe89  1  0.762336  0.434817  0.511765  1
  Fe  Fe90  1  0.762623  0.832228  0.567389  1
  Fe  Fe91  1  0.764999  0.332228  0.567389  1
  Fe  Fe92  1  0.765286  0.934817  0.511765  1
  Fe  Fe93  1  0.013811  0.179930  0.580171  1
  Fe  Fe94  1  0.013811  0.783869  0.526009  1
  Fe  Fe95  1  0.764839  0.131990  0.538776  1
  Fe  Fe96  1  0.765027  0.531237  0.595715  1
  Fe  Fe97  1  0.762595  0.031237  0.595715  1
  Fe  Fe98  1  0.762783  0.631990  0.538776  1
  Fe  Fe99  1  0.513811  0.585246  0.497078  1
  Fe  Fe100  1  0.513811  0.982950  0.553591  1
  Fe  Fe101  1  0.262623  0.332228  0.567389  1
  Fe  Fe102  1  0.262336  0.934817  0.511765  1
  Fe  Fe103  1  0.265286  0.434817  0.511765  1
  Fe  Fe104  1  0.264999  0.832228  0.567389  1
  Fe  Fe105  1  0.513811  0.079748  0.638273  1
  Fe  Fe106  1  0.513811  0.469207  0.692239  1
  Fe  Fe107  1  0.264501  0.811004  0.705369  1
  Fe  Fe108  1  0.264538  0.428975  0.650406  1
  Fe  Fe109  1  0.263084  0.928975  0.650406  1
  Fe  Fe110  1  0.263121  0.311004  0.705369  1
  Fe  Fe111  1  0.013811  0.278585  0.662057  1
  Fe  Fe112  1  0.013811  0.879663  0.608852  1
  Fe  Fe113  1  0.763430  0.226553  0.621496  1
  Fe  Fe114  1  0.759442  0.629855  0.680450  1
  Fe  Fe115  1  0.768180  0.129855  0.680450  1
  Fe  Fe116  1  0.764192  0.726553  0.621496  1
  Fe  Fe117  1  0.013811  0.969207  0.692239  1
  Fe  Fe118  1  0.013811  0.579748  0.638273  1
  Fe  Fe119  1  0.764538  0.928975  0.650406  1
  Fe  Fe120  1  0.764501  0.311004  0.705369  1
  Fe  Fe121  1  0.763121  0.811004  0.705369  1
  Fe  Fe122  1  0.763084  0.428975  0.650406  1
  Fe  Fe123  1  0.513811  0.379663  0.608852  1
  Fe  Fe124  1  0.513811  0.778585  0.662057  1
  Fe  Fe125  1  0.259442  0.129855  0.680450  1
  Fe  Fe126  1  0.263430  0.726553  0.621496  1
  Fe  Fe127  1  0.264192  0.226553  0.621496  1
  Fe  Fe128  1  0.268180  0.629855  0.680450  1
