# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73401285
_cell_length_b   9.91137614
_cell_length_c   53.80231964
_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   'Al120 Fe20'
_cell_volume   4657.45626272
_cell_formula_units_Z   20
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  1.007893  0.677070  0.332342  1
  Al  Al2  1  0.589093  0.718185  0.284528  1
  Al  Al3  1  0.507995  0.677070  0.332342  1
  Al  Al4  1  0.412311  0.424658  0.347899  1
  Al  Al5  1  0.257944  0.088991  0.275149  1
  Al  Al6  1  0.509142  0.463614  0.300023  1
  Al  Al7  1  0.926795  0.718185  0.284528  1
  Al  Al8  1  0.757944  0.552976  0.360406  1
  Al  Al9  1  0.757944  0.334378  0.326162  1
  Al  Al10  1  0.257944  0.806983  0.306416  1
  Al  Al11  1  0.103577  0.424658  0.347899  1
  Al  Al12  1  1.006745  0.463614  0.300023  1
  Al  Al13  1  1.007893  0.177070  0.332342  1
  Al  Al14  1  0.589093  0.218185  0.284528  1
  Al  Al15  1  0.507995  0.177070  0.332342  1
  Al  Al16  1  0.412311  0.924658  0.347899  1
  Al  Al17  1  0.257944  0.588991  0.275149  1
  Al  Al18  1  0.509142  0.963614  0.300023  1
  Al  Al19  1  0.926795  0.218185  0.284528  1
  Al  Al20  1  0.757944  0.052976  0.360406  1
  Al  Al21  1  0.757944  0.834378  0.326162  1
  Al  Al22  1  0.257944  0.306983  0.306416  1
  Al  Al23  1  0.103577  0.924658  0.347899  1
  Al  Al24  1  1.006745  0.963614  0.300023  1
  Al  Al25  1  1.007806  0.265046  0.423520  1
  Al  Al26  1  0.606323  0.301787  0.374812  1
  Al  Al27  1  0.508081  0.265046  0.423520  1
  Al  Al28  1  0.410544  0.013816  0.439056  1
  Al  Al29  1  0.257944  0.675974  0.362420  1
  Al  Al30  1  0.508238  0.050830  0.390445  1
  Al  Al31  1  0.909564  0.301787  0.374812  1
  Al  Al32  1  0.757944  0.142044  0.451959  1
  Al  Al33  1  0.757944  0.921715  0.417867  1
  Al  Al34  1  0.257944  0.394452  0.396169  1
  Al  Al35  1  0.105343  0.013816  0.439056  1
  Al  Al36  1  1.007650  0.050830  0.390445  1
  Al  Al37  1  1.007806  0.765046  0.423520  1
  Al  Al38  1  0.606323  0.801787  0.374812  1
  Al  Al39  1  0.508081  0.765046  0.423520  1
  Al  Al40  1  0.410544  0.513816  0.439056  1
  Al  Al41  1  0.257944  0.175974  0.362420  1
  Al  Al42  1  0.508238  0.550830  0.390445  1
  Al  Al43  1  0.909564  0.801787  0.374812  1
  Al  Al44  1  0.757944  0.642044  0.451959  1
  Al  Al45  1  0.757944  0.421715  0.417867  1
  Al  Al46  1  0.257944  0.894452  0.396169  1
  Al  Al47  1  0.105343  0.513816  0.439056  1
  Al  Al48  1  1.007650  0.550830  0.390445  1
  Al  Al49  1  0.007976  0.853875  0.514836  1
  Al  Al50  1  0.605480  0.890914  0.466231  1
  Al  Al51  1  0.507912  0.853875  0.514836  1
  Al  Al52  1  0.410407  0.602784  0.530302  1
  Al  Al53  1  0.257944  0.262854  0.453296  1
  Al  Al54  1  0.507976  0.639823  0.481697  1
  Al  Al55  1  0.910407  0.890914  0.466231  1
  Al  Al56  1  0.757944  0.730843  0.543237  1
  Al  Al57  1  0.757944  0.510724  0.509177  1
  Al  Al58  1  0.257944  0.982974  0.487357  1
  Al  Al59  1  0.105480  0.602784  0.530302  1
  Al  Al60  1  1.007912  0.639823  0.481697  1
  Al  Al61  1  0.007976  0.353875  0.514836  1
  Al  Al62  1  0.605480  0.390914  0.466231  1
  Al  Al63  1  0.507912  0.353875  0.514836  1
  Al  Al64  1  0.410407  0.102784  0.530302  1
  Al  Al65  1  0.257944  0.762854  0.453296  1
  Al  Al66  1  0.507976  0.139823  0.481697  1
  Al  Al67  1  0.910407  0.390914  0.466231  1
  Al  Al68  1  0.757944  0.230843  0.543237  1
  Al  Al69  1  0.757944  0.010724  0.509177  1
  Al  Al70  1  0.257944  0.482974  0.487357  1
  Al  Al71  1  0.105480  0.102784  0.530302  1
  Al  Al72  1  1.007912  0.139823  0.481697  1
  Al  Al73  1  0.008238  0.442868  0.606088  1
  Al  Al74  1  0.605343  0.479882  0.557478  1
  Al  Al75  1  0.507650  0.442868  0.606088  1
  Al  Al76  1  0.409564  0.191911  0.621721  1
  Al  Al77  1  0.257944  0.851654  0.544574  1
  Al  Al78  1  0.507806  0.228651  0.573013  1
  Al  Al79  1  0.910544  0.479882  0.557478  1
  Al  Al80  1  0.757944  0.317723  0.634113  1
  Al  Al81  1  0.757944  0.099246  0.600364  1
  Al  Al82  1  0.257944  0.571983  0.578667  1
  Al  Al83  1  0.106323  0.191911  0.621721  1
  Al  Al84  1  0.008081  0.228651  0.573013  1
  Al  Al85  1  0.008238  0.942868  0.606088  1
  Al  Al86  1  0.605343  0.979882  0.557478  1
  Al  Al87  1  0.507650  0.942868  0.606088  1
  Al  Al88  1  0.409564  0.691911  0.621721  1
  Al  Al89  1  0.257944  0.351654  0.544574  1
  Al  Al90  1  0.507806  0.728651  0.573013  1
  Al  Al91  1  0.910544  0.979882  0.557478  1
  Al  Al92  1  0.757944  0.817723  0.634113  1
  Al  Al93  1  0.757944  0.599246  0.600364  1
  Al  Al94  1  0.257944  0.071983  0.578667  1
  Al  Al95  1  0.106323  0.691911  0.621721  1
  Al  Al96  1  0.008081  0.728651  0.573013  1
  Al  Al97  1  0.009142  0.030083  0.696510  1
  Al  Al98  1  0.603577  0.069040  0.648634  1
  Al  Al99  1  0.506745  0.030083  0.696510  1
  Al  Al100  1  0.426795  0.775512  0.712006  1
  Al  Al101  1  0.257944  0.440722  0.636127  1
  Al  Al102  1  0.507893  0.816627  0.664191  1
  Al  Al103  1  0.912311  0.069040  0.648634  1
  Al  Al104  1  0.757944  0.904706  0.721384  1
  Al  Al105  1  0.757944  0.686715  0.690117  1
  Al  Al106  1  0.257944  0.159320  0.670371  1
  Al  Al107  1  0.089093  0.775512  0.712006  1
  Al  Al108  1  0.007995  0.816627  0.664191  1
  Al  Al109  1  0.009142  0.530083  0.696510  1
  Al  Al110  1  0.603577  0.569040  0.648634  1
  Al  Al111  1  0.506745  0.530083  0.696510  1
  Al  Al112  1  0.426795  0.275512  0.712006  1
  Al  Al113  1  0.257944  0.940722  0.636127  1
  Al  Al114  1  0.507893  0.316627  0.664191  1
  Al  Al115  1  0.912311  0.569040  0.648634  1
  Al  Al116  1  0.757944  0.404706  0.721384  1
  Al  Al117  1  0.757944  0.186715  0.690117  1
  Al  Al118  1  0.257944  0.659320  0.670371  1
  Al  Al119  1  0.089093  0.275512  0.712006  1
  Al  Al120  1  0.007995  0.316627  0.664191  1
  Fe  Fe121  1  0.757944  0.581533  0.313903  1
  Fe  Fe122  1  0.257944  0.562347  0.319575  1
  Fe  Fe123  1  0.757944  0.081533  0.313903  1
  Fe  Fe124  1  0.257944  0.062347  0.319575  1
  Fe  Fe125  1  0.757944  0.165210  0.405258  1
  Fe  Fe126  1  0.257944  0.150564  0.408820  1
  Fe  Fe127  1  0.757944  0.665210  0.405258  1
  Fe  Fe128  1  0.257944  0.650564  0.408820  1
  Fe  Fe129  1  0.757944  0.754317  0.496594  1
  Fe  Fe130  1  0.257944  0.739380  0.499940  1
  Fe  Fe131  1  0.757944  0.254317  0.496594  1
  Fe  Fe132  1  0.257944  0.239380  0.499940  1
  Fe  Fe133  1  0.757944  0.343134  0.587714  1
  Fe  Fe134  1  0.257944  0.328488  0.591275  1
  Fe  Fe135  1  0.757944  0.843134  0.587714  1
  Fe  Fe136  1  0.257944  0.828488  0.591275  1
  Fe  Fe137  1  0.757944  0.931351  0.676958  1
  Fe  Fe138  1  0.257944  0.912165  0.682630  1
  Fe  Fe139  1  0.757944  0.431351  0.676958  1
  Fe  Fe140  1  0.257944  0.412165  0.682630  1
