# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34049612
_cell_length_b   4.77671283
_cell_length_c   48.18450227
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.50253131
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al36 Fe36'
_cell_volume   2038.77574149
_cell_formula_units_Z   36
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  0.673280  0.846282  0.263295  1
  Al  Al2  1  0.952243  0.820609  0.276300  1
  Al  Al3  1  0.468463  0.360113  0.266400  1
  Al  Al4  1  0.511980  0.727991  0.302008  1
  Al  Al5  1  0.792939  0.660647  0.314027  1
  Al  Al6  1  0.233126  0.777655  0.288147  1
  Al  Al7  1  0.357609  0.545113  0.338332  1
  Al  Al8  1  0.638016  0.479838  0.351362  1
  Al  Al9  1  0.075713  0.608279  0.326079  1
  Al  Al10  1  0.204710  0.364356  0.375669  1
  Al  Al11  1  0.483759  0.294541  0.388650  1
  Al  Al12  1  0.922155  0.419213  0.362735  1
  Al  Al13  1  0.050712  0.177618  0.411374  1
  Al  Al14  1  0.327207  0.109804  0.426699  1
  Al  Al15  1  0.767718  0.237351  0.400209  1
  Al  Al16  1  0.903643  0.982048  0.449507  1
  Al  Al17  1  0.100066  0.167838  0.499423  1
  Al  Al18  1  0.614081  1.052122  0.437736  1
  Al  Al19  1  0.718207  0.847928  0.488905  1
  Al  Al20  1  0.921063  1.019987  0.536747  1
  Al  Al21  1  0.410193  0.121342  0.511536  1
  Al  Al22  1  0.499037  0.896994  0.562585  1
  Al  Al23  1  0.778378  0.823069  0.574660  1
  Al  Al24  1  0.219156  0.971538  0.548909  1
  Al  Al25  1  0.342947  0.707452  0.600422  1
  Al  Al26  1  0.627235  0.645266  0.612378  1
  Al  Al27  1  0.068107  0.770352  0.584458  1
  Al  Al28  1  0.189065  0.508350  0.638087  1
  Al  Al29  1  0.473761  0.465066  0.649746  1
  Al  Al30  1  0.917162  0.590885  0.621612  1
  Al  Al31  1  0.038620  0.324079  0.676662  1
  Al  Al32  1  0.320531  0.287006  0.688309  1
  Al  Al33  1  0.767663  0.430827  0.659584  1
  Al  Al34  1  0.086173  0.766076  0.706180  1
  Al  Al35  1  0.374810  0.726825  0.715730  1
  Al  Al36  1  0.613757  0.258423  0.697021  1
  Fe  Fe37  1  0.743796  0.311761  0.278897  1
  Fe  Fe38  1  0.022126  0.274843  0.290374  1
  Fe  Fe39  1  0.301365  0.226545  0.302037  1
  Fe  Fe40  1  0.587566  0.166888  0.313257  1
  Fe  Fe41  1  0.866792  1.107690  0.324759  1
  Fe  Fe42  1  0.152527  1.053112  0.336906  1
  Fe  Fe43  1  0.435468  0.994836  0.349011  1
  Fe  Fe44  1  0.715529  0.930191  0.361199  1
  Fe  Fe45  1  -0.001268  0.870981  0.372865  1
  Fe  Fe46  1  0.285385  0.814865  0.385206  1
  Fe  Fe47  1  0.563244  0.748916  0.398062  1
  Fe  Fe48  1  0.847049  0.692818  0.408891  1
  Fe  Fe49  1  0.133954  0.635891  0.422116  1
  Fe  Fe50  1  0.414482  0.568707  0.434136  1
  Fe  Fe51  1  0.704992  0.510442  0.445722  1
  Fe  Fe52  1  0.975087  0.438802  0.455701  1
  Fe  Fe53  1  0.246269  0.414189  0.469343  1
  Fe  Fe54  1  0.536910  0.381360  0.478930  1
  Fe  Fe55  1  0.816867  0.290237  0.491638  1
  Fe  Fe56  1  0.010312  0.724620  0.494055  1
  Fe  Fe57  1  0.315018  0.685200  0.506057  1
  Fe  Fe58  1  0.593111  0.573640  0.521528  1
  Fe  Fe59  1  0.872679  0.549663  0.530535  1
  Fe  Fe60  1  0.147908  0.508069  0.537568  1
  Fe  Fe61  1  0.409853  0.444791  0.554310  1
  Fe  Fe62  1  0.701007  0.367296  0.566077  1
  Fe  Fe63  1  0.991139  0.317766  0.575628  1
  Fe  Fe64  1  0.261616  0.255497  0.590352  1
  Fe  Fe65  1  0.549474  0.198579  0.601807  1
  Fe  Fe66  1  0.839087  0.144916  0.611487  1
  Fe  Fe67  1  0.107008  1.065400  0.626217  1
  Fe  Fe68  1  0.401995  1.024194  0.637025  1
  Fe  Fe69  1  0.689133  0.987384  0.646649  1
  Fe  Fe70  1  0.953661  0.889332  0.661047  1
  Fe  Fe71  1  0.251293  0.854596  0.669310  1
  Fe  Fe72  1  0.542944  0.819600  0.680187  1
