# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52894627
_cell_length_b   12.80769448
_cell_length_c   50.15838729
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.83088816
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al72 Fe72'
_cell_volume   4192.1406595
_cell_formula_units_Z   72
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  0.389068  0.397279  0.255262  1
  Al  Al2  1  0.320850  0.186098  0.244878  1
  Al  Al3  1  0.367356  0.800151  0.275151  1
  Al  Al4  1  0.690720  1.111235  0.256198  1
  Al  Al5  1  0.580305  0.903586  0.236240  1
  Al  Al6  1  0.953949  0.931463  0.252027  1
  Al  Al7  1  0.740325  0.455328  0.275791  1
  Al  Al8  1  0.046184  0.480908  0.242765  1
  Al  Al9  1  0.052506  0.113960  0.278656  1
  Al  Al10  1  0.464983  0.423414  0.312150  1
  Al  Al11  1  0.433980  1.103858  0.296712  1
  Al  Al12  1  0.497992  0.739587  0.327997  1
  Al  Al13  1  0.788255  1.086203  0.314797  1
  Al  Al14  1  0.770500  0.772541  0.288780  1
  Al  Al15  1  0.123040  0.752973  0.313590  1
  Al  Al16  1  0.818759  0.405703  0.330220  1
  Al  Al17  1  0.104595  0.437375  0.294340  1
  Al  Al18  1  0.153416  1.074282  0.331686  1
  Al  Al19  1  0.540677  0.375974  0.366863  1
  Al  Al20  1  0.509994  1.053596  0.350223  1
  Al  Al21  1  0.577335  0.689690  0.384911  1
  Al  Al22  1  0.875210  1.039978  0.367264  1
  Al  Al23  1  0.850298  0.721078  0.348814  1
  Al  Al24  1  0.220568  0.706635  0.365442  1
  Al  Al25  1  0.898849  0.355022  0.384549  1
  Al  Al26  1  0.181864  0.388351  0.347922  1
  Al  Al27  1  0.229539  1.024409  0.386479  1
  Al  Al28  1  0.615896  0.321824  0.422064  1
  Al  Al29  1  0.594424  1.003799  0.401455  1
  Al  Al30  1  0.675680  0.644091  0.438588  1
  Al  Al31  1  0.946390  0.988517  0.422344  1
  Al  Al32  1  0.945050  0.672425  0.401363  1
  Al  Al33  1  0.302299  0.654402  0.420590  1
  Al  Al34  1  0.995416  0.321060  0.441754  1
  Al  Al35  1  0.258898  0.340795  0.402036  1
  Al  Al36  1  0.330771  0.974206  0.439680  1
  Al  Al37  1  0.734863  0.408633  0.503930  1
  Al  Al38  1  0.675545  1.078539  0.485976  1
  Al  Al39  1  0.739039  0.726171  0.524495  1
  Al  Al40  1  1.044183  1.075720  0.505445  1
  Al  Al41  1  1.011604  0.755255  0.487493  1
  Al  Al42  1  0.382116  0.741555  0.505261  1
  Al  Al43  1  0.090207  0.392724  0.524154  1
  Al  Al44  1  0.355670  0.415334  0.484833  1
  Al  Al45  1  0.406005  1.058234  0.523692  1
  Al  Al46  1  0.807365  0.357928  0.558914  1
  Al  Al47  1  0.766981  1.043743  0.541867  1
  Al  Al48  1  0.827383  0.676915  0.577538  1
  Al  Al49  1  0.128187  1.024197  0.559443  1
  Al  Al50  1  0.104005  0.707954  0.541079  1
  Al  Al51  1  0.462537  0.692324  0.560138  1
  Al  Al52  1  0.169096  0.343229  0.576711  1
  Al  Al53  1  0.451348  0.378454  0.541038  1
  Al  Al54  1  0.489848  1.008883  0.577347  1
  Al  Al55  1  0.890632  0.310042  0.612328  1
  Al  Al56  1  0.852659  0.993998  0.595773  1
  Al  Al57  1  0.906873  0.629730  0.634408  1
  Al  Al58  1  0.216897  0.978907  0.613468  1
  Al  Al59  1  0.183830  0.659647  0.596630  1
  Al  Al60  1  0.550518  0.645253  0.613338  1
  Al  Al61  1  0.250775  0.290813  0.630324  1
  Al  Al62  1  0.527903  0.327007  0.594875  1
  Al  Al63  1  0.577198  0.968557  0.632382  1
  Al  Al64  1  0.985811  0.270213  0.667974  1
  Al  Al65  1  0.943978  0.944082  0.648758  1
  Al  Al66  1  0.140335  0.449514  0.690903  1
  Al  Al67  1  0.300784  0.921753  0.667793  1
  Al  Al68  1  0.282902  0.612245  0.651309  1
  Al  Al69  1  0.750407  0.440277  0.675492  1
  Al  Al70  1  0.361663  0.271676  0.685834  1
  Al  Al71  1  0.621304  0.270055  0.647825  1
  Al  Al72  1  0.671233  0.921328  0.684821  1
  Fe  Fe73  1  0.363375  0.601641  0.294880  1
  Fe  Fe74  1  0.296630  0.271906  0.289050  1
  Fe  Fe75  1  0.314113  0.989173  0.262367  1
  Fe  Fe76  1  0.682843  0.265242  0.294982  1
  Fe  Fe77  1  0.649675  0.949670  0.284267  1
  Fe  Fe78  1  1.025846  0.932973  0.299932  1
  Fe  Fe79  1  0.726120  0.587959  0.314230  1
  Fe  Fe80  1  0.999070  0.617554  0.280044  1
  Fe  Fe81  1  0.976471  0.294733  0.262530  1
  Fe  Fe82  1  0.451637  0.556773  0.349433  1
  Fe  Fe83  1  0.413109  0.236537  0.334511  1
  Fe  Fe84  1  0.375879  0.919657  0.316481  1
  Fe  Fe85  1  0.763693  0.220290  0.351786  1
  Fe  Fe86  1  0.746005  0.899775  0.332846  1
  Fe  Fe87  1  0.106258  0.888451  0.351674  1
  Fe  Fe88  1  0.809786  0.536791  0.367720  1
  Fe  Fe89  1  0.085166  0.568539  0.332179  1
  Fe  Fe90  1  1.021972  0.250259  0.317306  1
  Fe  Fe91  1  0.544095  0.506045  0.404031  1
  Fe  Fe92  1  0.496887  0.189254  0.386942  1
  Fe  Fe93  1  0.471516  0.867690  0.367846  1
  Fe  Fe94  1  0.871136  0.174984  0.405187  1
  Fe  Fe95  1  0.836313  0.854595  0.386426  1
  Fe  Fe96  1  0.205763  0.838062  0.404032  1
  Fe  Fe97  1  0.908850  0.489973  0.418833  1
  Fe  Fe98  1  0.182331  0.522324  0.384852  1
  Fe  Fe99  1  0.133045  0.204566  0.368863  1
  Fe  Fe100  1  0.679843  0.459372  0.456142  1
  Fe  Fe101  1  0.599305  0.129221  0.437992  1
  Fe  Fe102  1  0.570955  0.824936  0.422249  1
  Fe  Fe103  1  0.961829  0.129836  0.456190  1
  Fe  Fe104  1  0.940770  0.799072  0.438336  1
  Fe  Fe105  1  0.297000  0.786931  0.455937  1
  Fe  Fe106  1  1.030072  0.606865  0.453874  1
  Fe  Fe107  1  0.282238  0.468386  0.438291  1
  Fe  Fe108  1  0.234152  0.161578  0.423200  1
  Fe  Fe109  1  0.750090  0.599898  0.487885  1
  Fe  Fe110  1  0.674495  0.268527  0.469908  1
  Fe  Fe111  1  0.658718  0.792054  0.472193  1
  Fe  Fe112  1  0.075931  0.264484  0.488105  1
  Fe  Fe113  1  1.019648  0.941911  0.470094  1
  Fe  Fe114  1  0.403601  0.927686  0.487414  1
  Fe  Fe115  1  0.117078  0.571530  0.503556  1
  Fe  Fe116  1  0.393094  0.606967  0.470090  1
  Fe  Fe117  1  0.319844  0.121109  0.472705  1
  Fe  Fe118  1  0.848134  0.543231  0.539600  1
  Fe  Fe119  1  0.804935  0.224056  0.521435  1
  Fe  Fe120  1  0.780582  0.908973  0.507012  1
  Fe  Fe121  1  0.170059  0.209062  0.540272  1
  Fe  Fe122  1  0.142186  0.892341  0.522131  1
  Fe  Fe123  1  0.502255  0.876238  0.540456  1
  Fe  Fe124  1  0.214128  0.529440  0.557716  1
  Fe  Fe125  1  0.480045  0.558465  0.521351  1
  Fe  Fe126  1  0.443496  0.242438  0.506643  1
  Fe  Fe127  1  0.942743  0.497110  0.592523  1
  Fe  Fe128  1  0.900672  0.177593  0.575415  1
  Fe  Fe129  1  0.869598  0.861597  0.558262  1
  Fe  Fe130  1  0.259146  0.160999  0.593228  1
  Fe  Fe131  1  0.230414  0.843509  0.575879  1
  Fe  Fe132  1  0.594512  0.831058  0.594027  1
  Fe  Fe133  1  0.308506  0.480912  0.609675  1
  Fe  Fe134  1  0.579492  0.512312  0.574883  1
  Fe  Fe135  1  0.535946  0.194869  0.557790  1
  Fe  Fe136  1  1.038382  0.448452  0.642270  1
  Fe  Fe137  1  0.979469  0.131817  0.629391  1
  Fe  Fe138  1  0.955744  0.812689  0.610913  1
  Fe  Fe139  1  0.340156  0.115778  0.648255  1
  Fe  Fe140  1  0.318226  0.798478  0.628342  1
  Fe  Fe141  1  0.675681  0.786351  0.645909  1
  Fe  Fe142  1  0.402790  0.431508  0.656566  1
  Fe  Fe143  1  0.675352  0.464672  0.625899  1
  Fe  Fe144  1  0.620706  0.146057  0.609716  1
