# generated using pymatgen
data_AlFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.56753542
_cell_length_b   12.56523527
_cell_length_c   50.60180344
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe3
_chemical_formula_sum   'Al80 Fe240'
_cell_volume   7829.28954616
_cell_formula_units_Z   80
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  0.185023  0.935415  0.305948  1
  Al  Al2  1  0.685023  0.435415  0.305948  1
  Al  Al3  1  0.604043  0.854399  0.351095  1
  Al  Al4  1  0.104043  0.354399  0.351095  1
  Al  Al5  1  0.935023  0.185415  0.305948  1
  Al  Al6  1  0.435023  0.685415  0.305948  1
  Al  Al7  1  0.354043  0.104399  0.351095  1
  Al  Al8  1  0.854043  0.604399  0.351095  1
  Al  Al9  1  0.237756  0.238128  0.284282  1
  Al  Al10  1  0.737756  0.738128  0.284282  1
  Al  Al11  1  0.648834  0.149174  0.329751  1
  Al  Al12  1  0.148834  0.649174  0.329751  1
  Al  Al13  1  0.898834  0.899174  0.329751  1
  Al  Al14  1  0.398834  0.399174  0.329751  1
  Al  Al15  1  0.487756  0.988128  0.284282  1
  Al  Al16  1  0.987756  0.488128  0.284282  1
  Al  Al17  1  0.021163  0.771485  0.396932  1
  Al  Al18  1  0.521163  0.271485  0.396932  1
  Al  Al19  1  0.437884  0.688170  0.442455  1
  Al  Al20  1  0.937884  0.188170  0.442455  1
  Al  Al21  1  0.771163  0.021485  0.396932  1
  Al  Al22  1  0.271163  0.521485  0.396932  1
  Al  Al23  1  0.187884  0.938170  0.442455  1
  Al  Al24  1  0.687884  0.438170  0.442455  1
  Al  Al25  1  0.064868  0.065177  0.374785  1
  Al  Al26  1  0.564868  0.565177  0.374785  1
  Al  Al27  1  0.480722  0.981005  0.419997  1
  Al  Al28  1  0.980722  0.481005  0.419997  1
  Al  Al29  1  0.730722  0.731005  0.419997  1
  Al  Al30  1  0.230722  0.231005  0.419997  1
  Al  Al31  1  0.314868  0.815177  0.374785  1
  Al  Al32  1  0.814868  0.315177  0.374785  1
  Al  Al33  1  0.854388  0.604643  0.487948  1
  Al  Al34  1  0.354388  0.104643  0.487948  1
  Al  Al35  1  0.270731  0.520955  0.533403  1
  Al  Al36  1  0.770731  0.020955  0.533403  1
  Al  Al37  1  0.604388  0.854643  0.487948  1
  Al  Al38  1  0.104388  0.354643  0.487948  1
  Al  Al39  1  0.020731  0.770955  0.533403  1
  Al  Al40  1  0.520731  0.270955  0.533403  1
  Al  Al41  1  0.896935  0.897189  0.465465  1
  Al  Al42  1  0.396935  0.397189  0.465465  1
  Al  Al43  1  0.313277  0.813501  0.510919  1
  Al  Al44  1  0.813277  0.313501  0.510919  1
  Al  Al45  1  0.563277  0.563501  0.510919  1
  Al  Al46  1  0.063277  0.063501  0.510919  1
  Al  Al47  1  0.146935  0.647189  0.465465  1
  Al  Al48  1  0.646935  0.147189  0.465465  1
  Al  Al49  1  0.686944  0.437139  0.578871  1
  Al  Al50  1  0.186944  0.937139  0.578871  1
  Al  Al51  1  0.102797  0.352967  0.624082  1
  Al  Al52  1  0.602797  0.852967  0.624082  1
  Al  Al53  1  0.436944  0.687139  0.578871  1
  Al  Al54  1  0.936944  0.187139  0.578871  1
  Al  Al55  1  0.852797  0.602967  0.624082  1
  Al  Al56  1  0.352797  0.102967  0.624082  1
  Al  Al57  1  0.729782  0.729974  0.556412  1
  Al  Al58  1  0.229782  0.229974  0.556412  1
  Al  Al59  1  0.146502  0.646659  0.601935  1
  Al  Al60  1  0.646502  0.146659  0.601935  1
  Al  Al61  1  0.396502  0.396659  0.601935  1
  Al  Al62  1  0.896502  0.896659  0.601935  1
  Al  Al63  1  0.979782  0.479974  0.556412  1
  Al  Al64  1  0.479782  0.979974  0.556412  1
  Al  Al65  1  0.518831  0.268970  0.669116  1
  Al  Al66  1  0.018831  0.768970  0.669116  1
  Al  Al67  1  0.929909  0.180016  0.714585  1
  Al  Al68  1  0.429909  0.680016  0.714585  1
  Al  Al69  1  0.268831  0.518970  0.669116  1
  Al  Al70  1  0.768831  0.018970  0.669116  1
  Al  Al71  1  0.679909  0.430016  0.714585  1
  Al  Al72  1  0.179909  0.930016  0.714585  1
  Al  Al73  1  0.563622  0.563745  0.647772  1
  Al  Al74  1  0.063622  0.063745  0.647772  1
  Al  Al75  1  0.982642  0.482728  0.692919  1
  Al  Al76  1  0.482642  0.982728  0.692919  1
  Al  Al77  1  0.232642  0.232728  0.692919  1
  Al  Al78  1  0.732642  0.732728  0.692919  1
  Al  Al79  1  0.813622  0.313745  0.647772  1
  Al  Al80  1  0.313622  0.813745  0.647772  1
  Fe  Fe81  1  0.148500  0.148839  0.329362  1
  Fe  Fe82  1  0.648500  0.648839  0.329362  1
  Fe  Fe83  1  0.737519  0.237892  0.284407  1
  Fe  Fe84  1  0.237519  0.737892  0.284407  1
  Fe  Fe85  1  0.363092  0.363492  0.283402  1
  Fe  Fe86  1  0.863092  0.863492  0.283402  1
  Fe  Fe87  1  0.773571  0.273945  0.329720  1
  Fe  Fe88  1  0.273571  0.773945  0.329720  1
  Fe  Fe89  1  0.273592  0.273964  0.329625  1
  Fe  Fe90  1  0.773592  0.773964  0.329625  1
  Fe  Fe91  1  0.861642  0.362046  0.283628  1
  Fe  Fe92  1  0.361642  0.862046  0.283628  1
  Fe  Fe93  1  0.987519  0.987892  0.284407  1
  Fe  Fe94  1  0.487519  0.487892  0.284407  1
  Fe  Fe95  1  0.398500  0.898839  0.329362  1
  Fe  Fe96  1  0.898500  0.398839  0.329362  1
  Fe  Fe97  1  0.023571  0.023945  0.329720  1
  Fe  Fe98  1  0.523571  0.523945  0.329720  1
  Fe  Fe99  1  0.613092  0.113492  0.283402  1
  Fe  Fe100  1  0.113092  0.613492  0.283402  1
  Fe  Fe101  1  0.111642  0.112046  0.283628  1
  Fe  Fe102  1  0.611642  0.612046  0.283628  1
  Fe  Fe103  1  0.523592  0.023964  0.329625  1
  Fe  Fe104  1  0.023592  0.523964  0.329625  1
  Fe  Fe105  1  0.103954  0.854311  0.351167  1
  Fe  Fe106  1  0.603954  0.354311  0.351167  1
  Fe  Fe107  1  0.685796  0.936186  0.305724  1
  Fe  Fe108  1  0.185796  0.436186  0.305724  1
  Fe  Fe109  1  0.310635  0.060992  0.305423  1
  Fe  Fe110  1  0.810635  0.560992  0.305423  1
  Fe  Fe111  1  0.729183  0.979510  0.351411  1
  Fe  Fe112  1  0.229183  0.479510  0.351411  1
  Fe  Fe113  1  0.229270  0.979596  0.351314  1
  Fe  Fe114  1  0.729270  0.479596  0.351314  1
  Fe  Fe115  1  0.810103  0.060460  0.304996  1
  Fe  Fe116  1  0.310103  0.560460  0.304996  1
  Fe  Fe117  1  0.853954  0.104311  0.351167  1
  Fe  Fe118  1  0.353954  0.604311  0.351167  1
  Fe  Fe119  1  0.435796  0.186186  0.305724  1
  Fe  Fe120  1  0.935796  0.686186  0.305724  1
  Fe  Fe121  1  0.060635  0.310992  0.305423  1
  Fe  Fe122  1  0.560635  0.810992  0.305423  1
  Fe  Fe123  1  0.479183  0.229510  0.351411  1
  Fe  Fe124  1  0.979183  0.729510  0.351411  1
  Fe  Fe125  1  0.979270  0.229596  0.351314  1
  Fe  Fe126  1  0.479270  0.729596  0.351314  1
  Fe  Fe127  1  0.560103  0.310460  0.304996  1
  Fe  Fe128  1  0.060103  0.810460  0.304996  1
  Fe  Fe129  1  0.980707  0.980990  0.420076  1
  Fe  Fe130  1  0.480707  0.480990  0.420076  1
  Fe  Fe131  1  0.564651  0.064963  0.374733  1
  Fe  Fe132  1  0.064651  0.564963  0.374733  1
  Fe  Fe133  1  0.189599  0.189936  0.374586  1
  Fe  Fe134  1  0.689599  0.689936  0.374586  1
  Fe  Fe135  1  0.605651  0.105954  0.420043  1
  Fe  Fe136  1  0.105651  0.605954  0.420043  1
  Fe  Fe137  1  0.105681  0.105983  0.420070  1
  Fe  Fe138  1  0.605681  0.605983  0.420070  1
  Fe  Fe139  1  0.689711  0.190049  0.374805  1
  Fe  Fe140  1  0.189711  0.690049  0.374805  1
  Fe  Fe141  1  0.814651  0.814963  0.374733  1
  Fe  Fe142  1  0.314651  0.314963  0.374733  1
  Fe  Fe143  1  0.230707  0.730990  0.420076  1
  Fe  Fe144  1  0.730707  0.230990  0.420076  1
  Fe  Fe145  1  0.855651  0.855954  0.420043  1
  Fe  Fe146  1  0.355651  0.355954  0.420043  1
  Fe  Fe147  1  0.439599  0.939936  0.374586  1
  Fe  Fe148  1  0.939599  0.439936  0.374586  1
  Fe  Fe149  1  0.939711  0.940049  0.374805  1
  Fe  Fe150  1  0.439711  0.440049  0.374805  1
  Fe  Fe151  1  0.355681  0.855983  0.420070  1
  Fe  Fe152  1  0.855681  0.355983  0.420070  1
  Fe  Fe153  1  0.937930  0.688217  0.442445  1
  Fe  Fe154  1  0.437930  0.188217  0.442445  1
  Fe  Fe155  1  0.521290  0.771610  0.396929  1
  Fe  Fe156  1  0.021290  0.271610  0.396929  1
  Fe  Fe157  1  0.146270  0.896568  0.396912  1
  Fe  Fe158  1  0.646270  0.396568  0.396912  1
  Fe  Fe159  1  0.562990  0.813260  0.442473  1
  Fe  Fe160  1  0.062990  0.313260  0.442473  1
  Fe  Fe161  1  0.062935  0.813205  0.442481  1
  Fe  Fe162  1  0.562935  0.313205  0.442481  1
  Fe  Fe163  1  0.646188  0.896488  0.396840  1
  Fe  Fe164  1  0.146188  0.396488  0.396840  1
  Fe  Fe165  1  0.687930  0.938217  0.442445  1
  Fe  Fe166  1  0.187930  0.438217  0.442445  1
  Fe  Fe167  1  0.271290  0.021610  0.396929  1
  Fe  Fe168  1  0.771290  0.521610  0.396929  1
  Fe  Fe169  1  0.896270  0.146568  0.396912  1
  Fe  Fe170  1  0.396270  0.646568  0.396912  1
  Fe  Fe171  1  0.312990  0.063260  0.442473  1
  Fe  Fe172  1  0.812990  0.563260  0.442473  1
  Fe  Fe173  1  0.812935  0.063205  0.442481  1
  Fe  Fe174  1  0.312935  0.563205  0.442481  1
  Fe  Fe175  1  0.396188  0.146488  0.396840  1
  Fe  Fe176  1  0.896188  0.646488  0.396840  1
  Fe  Fe177  1  0.813232  0.813456  0.510879  1
  Fe  Fe178  1  0.313232  0.313456  0.510879  1
  Fe  Fe179  1  0.396893  0.897149  0.465451  1
  Fe  Fe180  1  0.896893  0.397149  0.465451  1
  Fe  Fe181  1  0.021896  0.022165  0.465462  1
  Fe  Fe182  1  0.521896  0.522165  0.465462  1
  Fe  Fe183  1  0.438248  0.938486  0.510904  1
  Fe  Fe184  1  0.938248  0.438486  0.510904  1
  Fe  Fe185  1  0.938220  0.938459  0.510908  1
  Fe  Fe186  1  0.438220  0.438459  0.510908  1
  Fe  Fe187  1  0.521852  0.022123  0.465417  1
  Fe  Fe188  1  0.021852  0.522123  0.465417  1
  Fe  Fe189  1  0.646893  0.647149  0.465451  1
  Fe  Fe190  1  0.146893  0.147149  0.465451  1
  Fe  Fe191  1  0.063232  0.563456  0.510879  1
  Fe  Fe192  1  0.563232  0.063456  0.510879  1
  Fe  Fe193  1  0.688248  0.688486  0.510904  1
  Fe  Fe194  1  0.188248  0.188486  0.510904  1
  Fe  Fe195  1  0.271896  0.772165  0.465462  1
  Fe  Fe196  1  0.771896  0.272165  0.465462  1
  Fe  Fe197  1  0.771852  0.772123  0.465417  1
  Fe  Fe198  1  0.271852  0.272123  0.465417  1
  Fe  Fe199  1  0.188220  0.688459  0.510908  1
  Fe  Fe200  1  0.688220  0.188459  0.510908  1
  Fe  Fe201  1  0.770772  0.520995  0.533416  1
  Fe  Fe202  1  0.270772  0.020995  0.533416  1
  Fe  Fe203  1  0.354433  0.604688  0.487988  1
  Fe  Fe204  1  0.854433  0.104688  0.487988  1
  Fe  Fe205  1  0.979445  0.729685  0.487959  1
  Fe  Fe206  1  0.479445  0.229685  0.487959  1
  Fe  Fe207  1  0.395813  0.646021  0.533450  1
  Fe  Fe208  1  0.895813  0.146021  0.533450  1
  Fe  Fe209  1  0.895770  0.645979  0.533406  1
  Fe  Fe210  1  0.395770  0.145979  0.533406  1
  Fe  Fe211  1  0.479417  0.729658  0.487963  1
  Fe  Fe212  1  0.979417  0.229658  0.487963  1
  Fe  Fe213  1  0.520772  0.770995  0.533416  1
  Fe  Fe214  1  0.020772  0.270995  0.533416  1
  Fe  Fe215  1  0.104433  0.854688  0.487988  1
  Fe  Fe216  1  0.604433  0.354688  0.487988  1
  Fe  Fe217  1  0.729445  0.979685  0.487959  1
  Fe  Fe218  1  0.229445  0.479685  0.487959  1
  Fe  Fe219  1  0.145813  0.896021  0.533450  1
  Fe  Fe220  1  0.645813  0.396021  0.533450  1
  Fe  Fe221  1  0.645770  0.895979  0.533406  1
  Fe  Fe222  1  0.145770  0.395979  0.533406  1
  Fe  Fe223  1  0.229417  0.979658  0.487963  1
  Fe  Fe224  1  0.729417  0.479658  0.487963  1
  Fe  Fe225  1  0.646375  0.646534  0.601938  1
  Fe  Fe226  1  0.146375  0.146534  0.601938  1
  Fe  Fe227  1  0.229735  0.729927  0.556422  1
  Fe  Fe228  1  0.729735  0.229927  0.556422  1
  Fe  Fe229  1  0.854730  0.854938  0.556386  1
  Fe  Fe230  1  0.354730  0.354938  0.556386  1
  Fe  Fe231  1  0.271477  0.771656  0.602027  1
  Fe  Fe232  1  0.771477  0.271656  0.602027  1
  Fe  Fe233  1  0.771395  0.771576  0.601955  1
  Fe  Fe234  1  0.271395  0.271576  0.601955  1
  Fe  Fe235  1  0.354675  0.854884  0.556394  1
  Fe  Fe236  1  0.854675  0.354884  0.556394  1
  Fe  Fe237  1  0.479735  0.479927  0.556422  1
  Fe  Fe238  1  0.979735  0.979927  0.556422  1
  Fe  Fe239  1  0.896375  0.396534  0.601938  1
  Fe  Fe240  1  0.396375  0.896534  0.601938  1
  Fe  Fe241  1  0.521477  0.521656  0.602027  1
  Fe  Fe242  1  0.021477  0.021656  0.602027  1
  Fe  Fe243  1  0.104730  0.604938  0.556386  1
  Fe  Fe244  1  0.604730  0.104938  0.556386  1
  Fe  Fe245  1  0.604675  0.604884  0.556394  1
  Fe  Fe246  1  0.104675  0.104884  0.556394  1
  Fe  Fe247  1  0.021395  0.521576  0.601955  1
  Fe  Fe248  1  0.521395  0.021576  0.601955  1
  Fe  Fe249  1  0.603014  0.353181  0.624135  1
  Fe  Fe250  1  0.103014  0.853181  0.624135  1
  Fe  Fe251  1  0.186958  0.437153  0.578792  1
  Fe  Fe252  1  0.686958  0.937153  0.578792  1
  Fe  Fe253  1  0.811985  0.562161  0.578797  1
  Fe  Fe254  1  0.311985  0.062161  0.578797  1
  Fe  Fe255  1  0.227955  0.478095  0.624062  1
  Fe  Fe256  1  0.727955  0.978095  0.624062  1
  Fe  Fe257  1  0.728066  0.478208  0.624282  1
  Fe  Fe258  1  0.228066  0.978208  0.624282  1
  Fe  Fe259  1  0.312014  0.562190  0.578824  1
  Fe  Fe260  1  0.812014  0.062190  0.578824  1
  Fe  Fe261  1  0.353014  0.603181  0.624135  1
  Fe  Fe262  1  0.853014  0.103181  0.624135  1
  Fe  Fe263  1  0.936958  0.687153  0.578792  1
  Fe  Fe264  1  0.436958  0.187153  0.578792  1
  Fe  Fe265  1  0.561985  0.812161  0.578797  1
  Fe  Fe266  1  0.061985  0.312161  0.578797  1
  Fe  Fe267  1  0.977955  0.728095  0.624062  1
  Fe  Fe268  1  0.477955  0.228095  0.624062  1
  Fe  Fe269  1  0.478066  0.728208  0.624282  1
  Fe  Fe270  1  0.978066  0.228208  0.624282  1
  Fe  Fe271  1  0.062014  0.812190  0.578824  1
  Fe  Fe272  1  0.562014  0.312190  0.578824  1
  Fe  Fe273  1  0.481869  0.481958  0.693143  1
  Fe  Fe274  1  0.981869  0.981958  0.693143  1
  Fe  Fe275  1  0.063711  0.563833  0.647700  1
  Fe  Fe276  1  0.563711  0.063833  0.647700  1
  Fe  Fe277  1  0.688396  0.688547  0.647553  1
  Fe  Fe278  1  0.188396  0.188547  0.647553  1
  Fe  Fe279  1  0.107563  0.607684  0.693871  1
  Fe  Fe280  1  0.607563  0.107684  0.693871  1
  Fe  Fe281  1  0.607030  0.607152  0.693444  1
  Fe  Fe282  1  0.107030  0.107152  0.693444  1
  Fe  Fe283  1  0.188482  0.688634  0.647456  1
  Fe  Fe284  1  0.688482  0.188634  0.647456  1
  Fe  Fe285  1  0.313711  0.313833  0.647700  1
  Fe  Fe286  1  0.813711  0.813833  0.647700  1
  Fe  Fe287  1  0.731869  0.231958  0.693143  1
  Fe  Fe288  1  0.231869  0.731958  0.693143  1
  Fe  Fe289  1  0.357563  0.357684  0.693871  1
  Fe  Fe290  1  0.857563  0.857684  0.693871  1
  Fe  Fe291  1  0.938396  0.438547  0.647553  1
  Fe  Fe292  1  0.438396  0.938547  0.647553  1
  Fe  Fe293  1  0.438482  0.438634  0.647456  1
  Fe  Fe294  1  0.938482  0.938634  0.647456  1
  Fe  Fe295  1  0.857030  0.357152  0.693444  1
  Fe  Fe296  1  0.357030  0.857152  0.693444  1
  Fe  Fe297  1  0.430146  0.180252  0.714460  1
  Fe  Fe298  1  0.930146  0.680252  0.714460  1
  Fe  Fe299  1  0.019165  0.269305  0.669505  1
  Fe  Fe300  1  0.519165  0.769305  0.669505  1
  Fe  Fe301  1  0.644074  0.394180  0.669242  1
  Fe  Fe302  1  0.144074  0.894180  0.669242  1
  Fe  Fe303  1  0.056023  0.306097  0.715239  1
  Fe  Fe304  1  0.556023  0.806097  0.715239  1
  Fe  Fe305  1  0.554573  0.304652  0.715465  1
  Fe  Fe306  1  0.054573  0.804652  0.715465  1
  Fe  Fe307  1  0.144094  0.394199  0.669147  1
  Fe  Fe308  1  0.644094  0.894199  0.669147  1
  Fe  Fe309  1  0.180146  0.430252  0.714460  1
  Fe  Fe310  1  0.680146  0.930252  0.714460  1
  Fe  Fe311  1  0.769165  0.519305  0.669505  1
  Fe  Fe312  1  0.269165  0.019305  0.669505  1
  Fe  Fe313  1  0.394074  0.644180  0.669242  1
  Fe  Fe314  1  0.894074  0.144180  0.669242  1
  Fe  Fe315  1  0.806023  0.556097  0.715239  1
  Fe  Fe316  1  0.306023  0.056097  0.715239  1
  Fe  Fe317  1  0.304573  0.554652  0.715465  1
  Fe  Fe318  1  0.804573  0.054652  0.715465  1
  Fe  Fe319  1  0.894094  0.644199  0.669147  1
  Fe  Fe320  1  0.394094  0.144199  0.669147  1
