# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84159672
_cell_length_b   8.46862238
_cell_length_c   47.85937973
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.06585810
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al33 Fe66'
_cell_volume   2534.4829846
_cell_formula_units_Z   33
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  0.630709  0.661895  0.291122  1
  Al  Al2  1  0.458498  0.984794  0.304128  1
  Al  Al3  1  0.291049  0.304128  0.317229  1
  Al  Al4  1  0.142178  0.616749  0.331669  1
  Al  Al5  1  0.985754  0.928882  0.344155  1
  Al  Al6  1  0.826198  0.240473  0.357195  1
  Al  Al7  1  0.674510  0.552538  0.371189  1
  Al  Al8  1  0.517069  0.864674  0.384128  1
  Al  Al9  1  0.358990  0.175515  0.397553  1
  Al  Al10  1  0.203343  0.487321  0.410850  1
  Al  Al11  1  0.047978  0.799341  0.424305  1
  Al  Al12  1  0.891177  0.111469  0.437572  1
  Al  Al13  1  0.735101  0.423412  0.450958  1
  Al  Al14  1  0.579386  0.735366  0.464396  1
  Al  Al15  1  0.422842  0.047322  0.477704  1
  Al  Al16  1  0.266464  0.359236  0.491018  1
  Al  Al17  1  0.110612  0.671073  0.504447  1
  Al  Al18  1  0.954272  0.982986  0.517776  1
  Al  Al19  1  0.797780  0.294985  0.531082  1
  Al  Al20  1  0.642236  0.606920  0.544540  1
  Al  Al21  1  0.485976  0.918803  0.557843  1
  Al  Al22  1  0.329078  0.230622  0.571102  1
  Al  Al23  1  0.173145  0.542599  0.584387  1
  Al  Al24  1  0.017600  0.854247  0.597951  1
  Al  Al25  1  0.860370  0.165874  0.611325  1
  Al  Al26  1  0.703487  0.478149  0.624456  1
  Al  Al27  1  0.550587  0.790933  0.638331  1
  Al  Al28  1  0.391780  0.102725  0.651262  1
  Al  Al29  1  0.234394  0.414448  0.664075  1
  Al  Al30  1  0.092025  0.724573  0.679302  1
  Al  Al31  1  0.922270  0.041477  0.691265  1
  Al  Al32  1  0.751365  0.360271  0.704090  1
  Al  Al33  1  0.553391  0.680347  0.717571  1
  Fe  Fe34  1  0.025534  0.564053  0.285800  1
  Fe  Fe35  1  0.851071  0.875381  0.298451  1
  Fe  Fe36  1  0.682765  0.193074  0.310837  1
  Fe  Fe37  1  0.407808  0.478953  0.282478  1
  Fe  Fe38  1  0.228848  0.793727  0.295300  1
  Fe  Fe39  1  0.060980  0.111283  0.308139  1
  Fe  Fe40  1  0.530159  0.500193  0.327441  1
  Fe  Fe41  1  0.377873  0.809673  0.339414  1
  Fe  Fe42  1  0.220408  0.120254  0.352290  1
  Fe  Fe43  1  0.900077  0.423544  0.322018  1
  Fe  Fe44  1  0.750511  0.735468  0.335788  1
  Fe  Fe45  1  0.592942  0.047721  0.348752  1
  Fe  Fe46  1  0.064396  0.432016  0.365632  1
  Fe  Fe47  1  0.909730  0.744961  0.379129  1
  Fe  Fe48  1  0.752326  0.056940  0.392357  1
  Fe  Fe49  1  0.433661  0.357135  0.362613  1
  Fe  Fe50  1  0.280559  0.670885  0.376355  1
  Fe  Fe51  1  0.123285  0.982983  0.389358  1
  Fe  Fe52  1  0.596224  0.368810  0.405800  1
  Fe  Fe53  1  0.441344  0.680990  0.419290  1
  Fe  Fe54  1  0.284305  0.992572  0.432600  1
  Fe  Fe55  1  0.966245  0.294638  0.402527  1
  Fe  Fe56  1  0.811518  0.606838  0.416118  1
  Fe  Fe57  1  0.654904  0.918708  0.429356  1
  Fe  Fe58  1  0.127832  0.304449  0.445871  1
  Fe  Fe59  1  0.972205  0.616366  0.459320  1
  Fe  Fe60  1  0.815802  0.928356  0.472630  1
  Fe  Fe61  1  0.498274  0.230456  0.442661  1
  Fe  Fe62  1  0.342335  0.542293  0.456024  1
  Fe  Fe63  1  0.186289  0.854185  0.469444  1
  Fe  Fe64  1  0.659360  0.240276  0.485944  1
  Fe  Fe65  1  0.503406  0.552209  0.499345  1
  Fe  Fe66  1  0.347288  0.864082  0.512703  1
  Fe  Fe67  1  0.029786  0.166141  0.482741  1
  Fe  Fe68  1  0.873643  0.478080  0.496112  1
  Fe  Fe69  1  0.717733  0.790047  0.509520  1
  Fe  Fe70  1  0.190765  0.175934  0.526000  1
  Fe  Fe71  1  0.034642  0.487803  0.539366  1
  Fe  Fe72  1  0.878817  0.799688  0.552801  1
  Fe  Fe73  1  0.561318  0.101994  0.522830  1
  Fe  Fe74  1  0.404948  0.413920  0.536151  1
  Fe  Fe75  1  0.249335  0.725890  0.549578  1
  Fe  Fe76  1  0.722309  0.111634  0.566100  1
  Fe  Fe77  1  0.565900  0.423726  0.579369  1
  Fe  Fe78  1  0.410993  0.736059  0.592906  1
  Fe  Fe79  1  0.092832  0.037606  0.562914  1
  Fe  Fe80  1  0.936021  0.349467  0.576211  1
  Fe  Fe81  1  0.781235  0.661587  0.589815  1
  Fe  Fe82  1  0.253623  0.047567  0.606183  1
  Fe  Fe83  1  0.096386  0.359909  0.619280  1
  Fe  Fe84  1  0.943187  0.672852  0.633425  1
  Fe  Fe85  1  0.624604  0.973360  0.603047  1
  Fe  Fe86  1  0.467315  0.285204  0.616146  1
  Fe  Fe87  1  0.310817  0.597633  0.629286  1
  Fe  Fe88  1  0.784764  0.982584  0.646530  1
  Fe  Fe89  1  0.627276  0.292656  0.659397  1
  Fe  Fe90  1  0.477222  0.601114  0.671414  1
  Fe  Fe91  1  0.156235  0.909088  0.643136  1
  Fe  Fe92  1  0.998902  0.221640  0.656222  1
  Fe  Fe93  1  0.843678  0.532187  0.669092  1
  Fe  Fe94  1  0.317190  0.920219  0.686569  1
  Fe  Fe95  1  0.151205  0.235464  0.700376  1
  Fe  Fe96  1  0.970583  0.550084  0.713804  1
  Fe  Fe97  1  0.696494  0.839793  0.684293  1
  Fe  Fe98  1  0.527658  0.156135  0.697134  1
  Fe  Fe99  1  0.356745  0.470375  0.709827  1
