# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.84254179
_cell_length_b   8.34445722
_cell_length_c   64.17398938
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al120 Fe120'
_cell_volume   6341.64689387
_cell_formula_units_Z   120
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  1.083061  0.522356  0.128564  1
  Al  Al2  1  0.250163  0.417543  0.150466  1
  Al  Al3  1  1.083061  0.946062  0.156444  1
  Al  Al4  1  0.415153  0.556496  0.130149  1
  Al  Al5  1  0.583061  0.417809  0.149992  1
  Al  Al6  1  0.244042  1.022761  0.129747  1
  Al  Al7  1  0.415673  0.925523  0.152654  1
  Al  Al8  1  0.750969  0.556496  0.130149  1
  Al  Al9  1  0.915959  0.417543  0.150466  1
  Al  Al10  1  0.583061  1.026014  0.129405  1
  Al  Al11  1  0.750449  0.925523  0.152654  1
  Al  Al12  1  0.922081  1.022761  0.129747  1
  Al  Al13  1  1.083061  0.333824  0.175096  1
  Al  Al14  1  0.250228  1.256745  0.200501  1
  Al  Al15  1  1.083061  0.757089  0.200504  1
  Al  Al16  1  0.417032  0.341464  0.175047  1
  Al  Al17  1  0.583061  1.255969  0.200180  1
  Al  Al18  1  0.252617  0.856219  0.178632  1
  Al  Al19  1  0.417969  0.770170  0.202087  1
  Al  Al20  1  0.749090  0.341464  0.175047  1
  Al  Al21  1  0.915894  1.256745  0.200501  1
  Al  Al22  1  0.583061  0.859015  0.178448  1
  Al  Al23  1  0.748154  0.770170  0.202087  1
  Al  Al24  1  0.913505  0.856219  0.178632  1
  Al  Al25  1  1.083061  1.181446  0.226282  1
  Al  Al26  1  0.250686  1.091865  0.250448  1
  Al  Al27  1  1.083061  0.570608  0.246889  1
  Al  Al28  1  0.417231  1.171889  0.225186  1
  Al  Al29  1  0.583061  1.090399  0.250584  1
  Al  Al30  1  0.249508  0.658874  0.223017  1
  Al  Al31  1  0.415961  0.568185  0.246868  1
  Al  Al32  1  0.748891  1.171889  0.225186  1
  Al  Al33  1  0.915436  1.091865  0.250448  1
  Al  Al34  1  0.583061  0.658765  0.223478  1
  Al  Al35  1  0.750161  0.568185  0.246868  1
  Al  Al36  1  0.916615  0.658874  0.223017  1
  Al  Al37  1  1.083061  0.992797  0.272967  1
  Al  Al38  1  0.248813  0.890306  0.295438  1
  Al  Al39  1  1.083061  0.404307  0.297791  1
  Al  Al40  1  0.416254  0.999076  0.273984  1
  Al  Al41  1  0.583061  0.891745  0.295668  1
  Al  Al42  1  0.249409  0.486721  0.272182  1
  Al  Al43  1  0.416392  0.404216  0.297397  1
  Al  Al44  1  0.749868  0.999076  0.273984  1
  Al  Al45  1  0.917309  0.890306  0.295438  1
  Al  Al46  1  0.583061  0.485322  0.272009  1
  Al  Al47  1  0.749730  0.404216  0.297397  1
  Al  Al48  1  0.916713  0.486721  0.272182  1
  Al  Al49  1  1.083061  0.798418  0.319095  1
  Al  Al50  1  0.249929  0.715509  0.344021  1
  Al  Al51  1  1.083061  1.227814  0.345743  1
  Al  Al52  1  0.416017  0.798192  0.318804  1
  Al  Al53  1  0.583061  0.715615  0.343896  1
  Al  Al54  1  0.250159  0.321485  0.322609  1
  Al  Al55  1  0.416462  1.229465  0.345964  1
  Al  Al56  1  0.750105  0.798192  0.318804  1
  Al  Al57  1  0.916193  0.715509  0.344021  1
  Al  Al58  1  0.583061  0.322425  0.322599  1
  Al  Al59  1  0.749660  1.229465  0.345964  1
  Al  Al60  1  0.915963  0.321485  0.322609  1
  Al  Al61  1  1.083061  0.634894  0.369384  1
  Al  Al62  1  0.249456  0.553031  0.394577  1
  Al  Al63  1  1.083061  1.030021  0.390967  1
  Al  Al64  1  0.416491  0.634638  0.369410  1
  Al  Al65  1  0.583061  0.552815  0.394614  1
  Al  Al66  1  0.249651  1.123713  0.367828  1
  Al  Al67  1  0.416613  1.028670  0.390836  1
  Al  Al68  1  0.749631  0.634638  0.369410  1
  Al  Al69  1  0.916666  0.553031  0.394577  1
  Al  Al70  1  0.583061  1.122940  0.367731  1
  Al  Al71  1  0.749509  1.028670  0.390836  1
  Al  Al72  1  0.916471  1.123713  0.367828  1
  Al  Al73  1  1.083061  0.462548  0.418272  1
  Al  Al74  1  0.249817  0.358693  0.440316  1
  Al  Al75  1  1.083061  0.864733  0.441066  1
  Al  Al76  1  0.416006  0.460587  0.417956  1
  Al  Al77  1  0.583061  0.355459  0.439805  1
  Al  Al78  1  0.249901  0.945689  0.415696  1
  Al  Al79  1  0.415985  0.865664  0.441349  1
  Al  Al80  1  0.750116  0.460587  0.417956  1
  Al  Al81  1  0.916305  0.358693  0.440316  1
  Al  Al82  1  0.583061  0.945478  0.415865  1
  Al  Al83  1  0.750138  0.865664  0.441349  1
  Al  Al84  1  0.916221  0.945689  0.415696  1
  Al  Al85  1  1.083061  1.262616  0.463064  1
  Al  Al86  1  0.250333  1.174816  0.487142  1
  Al  Al87  1  1.083061  0.698738  0.490803  1
  Al  Al88  1  0.417058  1.259678  0.462809  1
  Al  Al89  1  0.583061  1.176445  0.487627  1
  Al  Al90  1  0.248800  0.784286  0.466564  1
  Al  Al91  1  0.416309  0.691719  0.489612  1
  Al  Al92  1  0.749064  1.259678  0.462809  1
  Al  Al93  1  0.915789  1.174816  0.487142  1
  Al  Al94  1  0.583061  0.784215  0.466319  1
  Al  Al95  1  0.749813  0.691719  0.489612  1
  Al  Al96  1  0.917322  0.784286  0.466564  1
  Al  Al97  1  1.083061  1.098791  0.512423  1
  Al  Al98  1  0.246557  1.022575  0.538392  1
  Al  Al99  1  1.083061  0.504542  0.535015  1
  Al  Al100  1  0.415074  1.101092  0.513285  1
  Al  Al101  1  0.583061  1.020470  0.537514  1
  Al  Al102  1  0.250614  0.598168  0.512628  1
  Al  Al103  1  0.417039  0.495815  0.534698  1
  Al  Al104  1  0.751048  1.101092  0.513285  1
  Al  Al105  1  0.919565  1.022575  0.538392  1
  Al  Al106  1  0.583061  0.593149  0.512062  1
  Al  Al107  1  0.749083  0.495815  0.534698  1
  Al  Al108  1  0.915508  0.598168  0.512628  1
  Al  Al109  1  1.083061  0.945042  0.564120  1
  Al  Al110  1  0.259704  0.841544  0.584900  1
  Al  Al111  1  1.083061  0.340362  0.583357  1
  Al  Al112  1  0.417798  0.926010  0.559870  1
  Al  Al113  1  0.583061  0.846416  0.584501  1
  Al  Al114  1  0.250294  0.412549  0.557509  1
  Al  Al115  1  0.417458  0.350253  0.584363  1
  Al  Al116  1  0.748324  0.926010  0.559870  1
  Al  Al117  1  0.906418  0.841544  0.584900  1
  Al  Al118  1  0.583061  0.416116  0.557980  1
  Al  Al119  1  0.748665  0.350253  0.584363  1
  Al  Al120  1  0.915828  0.412549  0.557509  1
  Fe  Fe121  1  1.083061  0.814598  0.122811  1
  Fe  Fe122  1  0.246816  0.723076  0.144142  1
  Fe  Fe123  1  1.083061  1.222310  0.139392  1
  Fe  Fe124  1  0.415437  0.638846  0.167248  1
  Fe  Fe125  1  0.583061  0.722902  0.144713  1
  Fe  Fe126  1  0.252081  1.138499  0.165097  1
  Fe  Fe127  1  0.414758  1.221529  0.139807  1
  Fe  Fe128  1  0.750685  0.638846  0.167248  1
  Fe  Fe129  1  0.919306  0.723076  0.144142  1
  Fe  Fe130  1  0.583061  1.139104  0.164586  1
  Fe  Fe131  1  0.751364  1.221529  0.139807  1
  Fe  Fe132  1  0.914042  1.138499  0.165097  1
  Fe  Fe133  1  1.083061  0.638169  0.164637  1
  Fe  Fe134  1  0.246430  0.551095  0.186128  1
  Fe  Fe135  1  1.083061  1.050515  0.192188  1
  Fe  Fe136  1  0.416331  0.467742  0.209820  1
  Fe  Fe137  1  0.583061  0.552233  0.186369  1
  Fe  Fe138  1  0.252137  0.961615  0.215444  1
  Fe  Fe139  1  0.417354  1.056586  0.188631  1
  Fe  Fe140  1  0.749791  0.467742  0.209820  1
  Fe  Fe141  1  0.919692  0.551095  0.186128  1
  Fe  Fe142  1  0.583061  0.961446  0.215574  1
  Fe  Fe143  1  0.748768  1.056586  0.188631  1
  Fe  Fe144  1  0.913985  0.961615  0.215444  1
  Fe  Fe145  1  1.083061  0.464040  0.210051  1
  Fe  Fe146  1  0.250659  0.374192  0.236114  1
  Fe  Fe147  1  1.083061  0.878377  0.236218  1
  Fe  Fe148  1  0.416582  0.285957  0.261615  1
  Fe  Fe149  1  0.583061  0.372631  0.235877  1
  Fe  Fe150  1  0.246350  0.787238  0.258419  1
  Fe  Fe151  1  0.416455  0.872069  0.238781  1
  Fe  Fe152  1  0.749540  0.285957  0.261615  1
  Fe  Fe153  1  0.915463  0.374192  0.236114  1
  Fe  Fe154  1  0.583061  0.785420  0.259046  1
  Fe  Fe155  1  0.749667  0.872069  0.238781  1
  Fe  Fe156  1  0.919772  0.787238  0.258419  1
  Fe  Fe157  1  1.083061  0.285810  0.262408  1
  Fe  Fe158  1  0.249561  1.191694  0.287633  1
  Fe  Fe159  1  1.083061  0.693952  0.282390  1
  Fe  Fe160  1  0.416145  1.103194  0.310618  1
  Fe  Fe161  1  0.583061  1.192274  0.287709  1
  Fe  Fe162  1  0.249846  0.603388  0.307908  1
  Fe  Fe163  1  0.415660  0.698061  0.281680  1
  Fe  Fe164  1  0.749977  1.103194  0.310618  1
  Fe  Fe165  1  0.916561  1.191694  0.287633  1
  Fe  Fe166  1  0.583061  0.604252  0.307601  1
  Fe  Fe167  1  0.750462  0.698061  0.281680  1
  Fe  Fe168  1  0.916276  0.603388  0.307908  1
  Fe  Fe169  1  1.083061  1.102278  0.309927  1
  Fe  Fe170  1  0.248895  1.016797  0.331028  1
  Fe  Fe171  1  1.083061  0.515867  0.333869  1
  Fe  Fe172  1  0.416198  0.928446  0.353701  1
  Fe  Fe173  1  0.583061  1.017302  0.331096  1
  Fe  Fe174  1  0.249576  0.423121  0.359692  1
  Fe  Fe175  1  0.416534  0.516429  0.333694  1
  Fe  Fe176  1  0.749924  0.928446  0.353701  1
  Fe  Fe177  1  0.917227  1.016797  0.331028  1
  Fe  Fe178  1  0.583061  0.423031  0.359741  1
  Fe  Fe179  1  0.749589  0.516429  0.333694  1
  Fe  Fe180  1  0.916546  0.423121  0.359692  1
  Fe  Fe181  1  1.083061  0.928124  0.353938  1
  Fe  Fe182  1  0.249787  0.835073  0.379513  1
  Fe  Fe183  1  1.083061  0.334415  0.382680  1
  Fe  Fe184  1  0.416462  0.747112  0.405627  1
  Fe  Fe185  1  0.583061  0.834641  0.379528  1
  Fe  Fe186  1  0.249456  1.248446  0.403580  1
  Fe  Fe187  1  0.415927  0.333638  0.382665  1
  Fe  Fe188  1  0.749660  0.747112  0.405627  1
  Fe  Fe189  1  0.916335  0.835073  0.379513  1
  Fe  Fe190  1  0.583061  1.247881  0.403211  1
  Fe  Fe191  1  0.750195  0.333638  0.382665  1
  Fe  Fe192  1  0.916666  1.248446  0.403580  1
  Fe  Fe193  1  1.083061  0.747946  0.405404  1
  Fe  Fe194  1  0.249554  0.656112  0.431529  1
  Fe  Fe195  1  1.083061  1.160734  0.425930  1
  Fe  Fe196  1  0.415133  0.564138  0.454651  1
  Fe  Fe197  1  0.583061  0.654026  0.431641  1
  Fe  Fe198  1  0.249584  1.067154  0.450964  1
  Fe  Fe199  1  0.416402  1.159647  0.425715  1
  Fe  Fe200  1  0.750989  0.564138  0.454651  1
  Fe  Fe201  1  0.916568  0.656112  0.431529  1
  Fe  Fe202  1  0.583061  1.066189  0.451316  1
  Fe  Fe203  1  0.749720  1.159647  0.425715  1
  Fe  Fe204  1  0.916538  1.067154  0.450964  1
  Fe  Fe205  1  1.083061  0.566318  0.455420  1
  Fe  Fe206  1  0.249907  0.478503  0.476551  1
  Fe  Fe207  1  1.083061  0.980237  0.476917  1
  Fe  Fe208  1  0.417656  0.392543  0.497682  1
  Fe  Fe209  1  0.583061  0.480026  0.475444  1
  Fe  Fe210  1  0.249891  0.891139  0.503466  1
  Fe  Fe211  1  0.416520  0.978133  0.477642  1
  Fe  Fe212  1  0.748466  0.392543  0.497682  1
  Fe  Fe213  1  0.916216  0.478503  0.476551  1
  Fe  Fe214  1  0.583061  0.888352  0.503080  1
  Fe  Fe215  1  0.749602  0.978133  0.477642  1
  Fe  Fe216  1  0.916231  0.891139  0.503466  1
  Fe  Fe217  1  1.083061  0.395229  0.498149  1
  Fe  Fe218  1  0.249217  0.305331  0.521569  1
  Fe  Fe219  1  1.083061  0.807346  0.528061  1
  Fe  Fe220  1  0.415837  1.213089  0.549906  1
  Fe  Fe221  1  0.583061  0.301709  0.522592  1
  Fe  Fe222  1  0.250750  0.718740  0.548667  1
  Fe  Fe223  1  0.416632  0.798277  0.525828  1
  Fe  Fe224  1  0.750285  1.213089  0.549906  1
  Fe  Fe225  1  0.916905  0.305331  0.521569  1
  Fe  Fe226  1  0.583061  0.718176  0.548089  1
  Fe  Fe227  1  0.749490  0.798277  0.525828  1
  Fe  Fe228  1  0.915372  0.718740  0.548667  1
  Fe  Fe229  1  1.083061  1.220506  0.547846  1
  Fe  Fe230  1  0.251254  1.139857  0.574236  1
  Fe  Fe231  1  1.083061  0.641019  0.569829  1
  Fe  Fe232  1  0.420254  1.055327  0.593706  1
  Fe  Fe233  1  0.583061  1.140489  0.573031  1
  Fe  Fe234  1  0.248615  0.548561  0.590613  1
  Fe  Fe235  1  0.417522  0.635901  0.569430  1
  Fe  Fe236  1  0.745868  1.055327  0.593706  1
  Fe  Fe237  1  0.914868  1.139857  0.574236  1
  Fe  Fe238  1  0.583061  0.554372  0.591090  1
  Fe  Fe239  1  0.748600  0.635901  0.569430  1
  Fe  Fe240  1  0.917507  0.548561  0.590613  1
