# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29586701
_cell_length_b   17.51487364
_cell_length_c   53.84314061
_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   'Al144 Fe24'
_cell_volume   5937.35392063
_cell_formula_units_Z   24
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  0.503104  0.073638  0.370441  1
  Al  Al2  1  0.485870  0.449247  0.300354  1
  Al  Al3  1  0.150903  0.666250  0.371336  1
  Al  Al4  1  0.147072  0.041792  0.300454  1
  Al  Al5  1  0.521746  0.949247  0.300354  1
  Al  Al6  1  0.504512  0.573638  0.370441  1
  Al  Al7  1  0.854440  0.616575  0.343533  1
  Al  Al8  1  0.857912  0.243376  0.414666  1
  Al  Al9  1  0.697690  0.087896  0.415394  1
  Al  Al10  1  0.694452  0.461166  0.343222  1
  Al  Al11  1  0.499695  0.709511  0.345031  1
  Al  Al12  1  0.502453  0.335760  0.416103  1
  Al  Al13  1  0.149704  0.743376  0.414666  1
  Al  Al14  1  0.153176  0.116575  0.343533  1
  Al  Al15  1  0.816841  0.009508  0.335964  1
  Al  Al16  1  0.810172  0.635341  0.407053  1
  Al  Al17  1  0.810239  0.774715  0.379503  1
  Al  Al18  1  0.821325  0.151195  0.310308  1
  Al  Al19  1  0.197444  0.135341  0.407053  1
  Al  Al20  1  0.190775  0.509508  0.335964  1
  Al  Al21  1  0.860544  0.541792  0.300454  1
  Al  Al22  1  0.856713  0.166250  0.371336  1
  Al  Al23  1  0.505163  0.835760  0.416103  1
  Al  Al24  1  0.507921  0.209511  0.345031  1
  Al  Al25  1  1.001918  0.887426  0.406255  1
  Al  Al26  1  0.999437  0.262694  0.335537  1
  Al  Al27  1  0.658784  0.852244  0.335662  1
  Al  Al28  1  0.649013  0.479684  0.407607  1
  Al  Al29  1  0.008179  0.762694  0.335537  1
  Al  Al30  1  0.005698  0.387426  0.406255  1
  Al  Al31  1  0.362251  0.802471  0.307685  1
  Al  Al32  1  0.357378  0.430009  0.378581  1
  Al  Al33  1  0.186291  0.651195  0.310308  1
  Al  Al34  1  0.197377  0.274715  0.379503  1
  Al  Al35  1  0.018204  0.899595  0.309831  1
  Al  Al36  1  1.000129  0.522820  0.380527  1
  Al  Al37  1  0.650238  0.930009  0.378581  1
  Al  Al38  1  0.645365  0.302471  0.307685  1
  Al  Al39  1  0.314842  0.822370  0.370377  1
  Al  Al40  1  0.306220  0.194026  0.302866  1
  Al  Al41  1  0.313164  0.961166  0.343222  1
  Al  Al42  1  0.309926  0.587896  0.415394  1
  Al  Al43  1  0.701396  0.694026  0.302866  1
  Al  Al44  1  0.692774  0.322370  0.370377  1
  Al  Al45  1  0.358603  0.979684  0.407607  1
  Al  Al46  1  0.348832  0.352244  0.335662  1
  Al  Al47  1  0.007487  0.022820  0.380527  1
  Al  Al48  1  0.989412  0.399595  0.309831  1
  Al  Al49  1  0.501969  0.326823  0.513783  1
  Al  Al50  1  0.501161  0.700599  0.442020  1
  Al  Al51  1  0.150885  0.919355  0.515170  1
  Al  Al52  1  0.150623  0.292927  0.443406  1
  Al  Al53  1  0.506455  0.200599  0.442020  1
  Al  Al54  1  0.505647  0.826823  0.513783  1
  Al  Al55  1  0.857314  0.869540  0.486650  1
  Al  Al56  1  0.856501  0.495959  0.558409  1
  Al  Al57  1  0.695926  0.340585  0.558941  1
  Al  Al58  1  0.696441  0.714163  0.487147  1
  Al  Al59  1  0.502556  0.962065  0.488027  1
  Al  Al60  1  0.501533  0.588336  0.559790  1
  Al  Al61  1  0.151115  0.995959  0.558409  1
  Al  Al62  1  0.150302  0.369540  0.486650  1
  Al  Al63  1  0.810969  0.261547  0.478752  1
  Al  Al64  1  0.811537  0.887850  0.550530  1
  Al  Al65  1  0.811327  0.027326  0.523056  1
  Al  Al66  1  0.810767  0.401027  0.451316  1
  Al  Al67  1  0.196079  0.387850  0.550530  1
  Al  Al68  1  0.196647  0.761547  0.478752  1
  Al  Al69  1  0.856993  0.792927  0.443406  1
  Al  Al70  1  0.856731  0.419355  0.515170  1
  Al  Al71  1  0.506083  0.088336  0.559790  1
  Al  Al72  1  0.505060  0.462065  0.488027  1
  Al  Al73  1  1.001986  0.139897  0.549695  1
  Al  Al74  1  1.001805  0.513692  0.477926  1
  Al  Al75  1  0.650927  0.106186  0.479294  1
  Al  Al76  1  0.650774  0.732473  0.551025  1
  Al  Al77  1  0.005811  0.013692  0.477926  1
  Al  Al78  1  0.005630  0.639897  0.549695  1
  Al  Al79  1  0.357673  0.056454  0.450792  1
  Al  Al80  1  0.357075  0.682727  0.522532  1
  Al  Al81  1  0.196849  0.901027  0.451316  1
  Al  Al82  1  0.196289  0.527326  0.523056  1
  Al  Al83  1  1.002317  0.148986  0.452131  1
  Al  Al84  1  1.002447  0.775243  0.523889  1
  Al  Al85  1  0.650541  0.182727  0.522532  1
  Al  Al86  1  0.649943  0.556454  0.450792  1
  Al  Al87  1  0.311300  0.074694  0.514655  1
  Al  Al88  1  0.310450  0.448302  0.442889  1
  Al  Al89  1  0.311175  0.214163  0.487147  1
  Al  Al90  1  0.311690  0.840585  0.558941  1
  Al  Al91  1  0.697166  0.948302  0.442889  1
  Al  Al92  1  0.696316  0.574694  0.514655  1
  Al  Al93  1  0.356842  0.232473  0.551025  1
  Al  Al94  1  0.356689  0.606186  0.479294  1
  Al  Al95  1  0.005169  0.275243  0.523889  1
  Al  Al96  1  0.005299  0.648986  0.452131  1
  Al  Al97  1  0.502545  0.579516  0.656926  1
  Al  Al98  1  0.503463  0.953066  0.585703  1
  Al  Al99  1  0.149369  0.173047  0.657796  1
  Al  Al100  1  0.149846  0.545484  0.587081  1
  Al  Al101  1  0.504153  0.453066  0.585703  1
  Al  Al102  1  0.505071  0.079516  0.656926  1
  Al  Al103  1  0.854494  0.122361  0.630342  1
  Al  Al104  1  0.869992  0.748069  0.700982  1
  Al  Al105  1  0.728647  0.591895  0.698387  1
  Al  Al106  1  0.695385  0.966634  0.631344  1
  Al  Al107  1  0.501597  0.215149  0.631578  1
  Al  Al108  1  0.495990  0.839818  0.701263  1
  Al  Al109  1  0.137624  0.248069  0.700982  1
  Al  Al110  1  0.153122  0.622361  0.630342  1
  Al  Al111  1  0.809758  0.514315  0.622337  1
  Al  Al112  1  0.818749  0.139424  0.690390  1
  Al  Al113  1  0.808421  0.280063  0.665840  1
  Al  Al114  1  0.811352  0.653742  0.594853  1
  Al  Al115  1  0.188867  0.639424  0.690390  1
  Al  Al116  1  0.197858  0.014315  0.622337  1
  Al  Al117  1  0.857770  0.045484  0.587081  1
  Al  Al118  1  0.858247  0.673047  0.657796  1
  Al  Al119  1  0.511626  0.339818  0.701263  1
  Al  Al120  1  0.506019  0.715149  0.631578  1
  Al  Al121  1  0.009986  0.391217  0.692117  1
  Al  Al122  1  0.004593  0.766353  0.621267  1
  Al  Al123  1  0.646613  0.359120  0.623244  1
  Al  Al124  1  0.656307  0.988731  0.694632  1
  Al  Al125  1  1.003023  0.266353  0.621267  1
  Al  Al126  1  0.997630  0.891217  0.692117  1
  Al  Al127  1  0.356276  0.309028  0.594287  1
  Al  Al128  1  0.357422  0.936894  0.666162  1
  Al  Al129  1  0.196264  0.153742  0.594853  1
  Al  Al130  1  0.199195  0.780063  0.665840  1
  Al  Al131  1  1.000082  0.401506  0.595576  1
  Al  Al132  1  0.998121  0.025599  0.666189  1
  Al  Al133  1  0.650194  0.436894  0.666162  1
  Al  Al134  1  0.651340  0.809028  0.594287  1
  Al  Al135  1  0.307054  0.327250  0.658437  1
  Al  Al136  1  0.311661  0.701114  0.586443  1
  Al  Al137  1  0.312231  0.466634  0.631344  1
  Al  Al138  1  0.278969  0.091895  0.698387  1
  Al  Al139  1  0.695955  0.201114  0.586443  1
  Al  Al140  1  0.700562  0.827250  0.658437  1
  Al  Al141  1  0.351309  0.488731  0.694632  1
  Al  Al142  1  0.361003  0.859120  0.623244  1
  Al  Al143  1  0.009495  0.525599  0.666189  1
  Al  Al144  1  0.007534  0.901506  0.595576  1
  Fe  Fe145  1  0.484365  0.704906  0.393270  1
  Fe  Fe146  1  0.490120  0.078677  0.322686  1
  Fe  Fe147  1  0.517496  0.578677  0.322686  1
  Fe  Fe148  1  0.523251  0.204906  0.393270  1
  Fe  Fe149  1  0.988451  0.892577  0.358001  1
  Fe  Fe150  1  0.994940  0.270123  0.288625  1
  Fe  Fe151  1  0.012676  0.770123  0.288625  1
  Fe  Fe152  1  0.019165  0.392577  0.358001  1
  Fe  Fe153  1  0.485742  0.957588  0.536819  1
  Fe  Fe154  1  0.485139  0.331299  0.464997  1
  Fe  Fe155  1  0.522477  0.831299  0.464997  1
  Fe  Fe156  1  0.521874  0.457588  0.536819  1
  Fe  Fe157  1  0.985505  0.144470  0.500921  1
  Fe  Fe158  1  0.984443  0.518175  0.429194  1
  Fe  Fe159  1  0.023173  0.018175  0.429194  1
  Fe  Fe160  1  0.022111  0.644470  0.500921  1
  Fe  Fe161  1  0.481243  0.209060  0.679625  1
  Fe  Fe162  1  0.485174  0.583967  0.608522  1
  Fe  Fe163  1  0.522442  0.083967  0.608522  1
  Fe  Fe164  1  0.526373  0.709060  0.679625  1
  Fe  Fe165  1  0.983574  0.396443  0.643872  1
  Fe  Fe166  1  0.985837  0.770672  0.572606  1
  Fe  Fe167  1  0.021779  0.270672  0.572606  1
  Fe  Fe168  1  0.024042  0.896443  0.643872  1
