# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.28631506
_cell_length_b   17.93133103
_cell_length_c   45.78124402
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al162 Fe162'
_cell_volume   8313.30159271
_cell_formula_units_Z   162
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  0.891829  0.643867  0.272735  1
  Al  Al2  1  0.408903  0.440158  0.323848  1
  Al  Al3  1  0.517382  0.632641  0.287137  1
  Al  Al4  1  0.742199  0.105022  0.320407  1
  Al  Al5  1  0.848715  0.301745  0.287452  1
  Al  Al6  1  0.788219  0.454786  0.303104  1
  Al  Al7  1  0.231154  0.311842  0.272093  1
  Al  Al8  1  0.181189  0.466418  0.287450  1
  Al  Al9  1  0.124562  0.620411  0.302735  1
  Al  Al10  1  0.408431  0.937384  0.320627  1
  Al  Al11  1  0.516934  0.133872  0.287665  1
  Al  Al12  1  0.458651  0.284560  0.304666  1
  Al  Al13  1  0.853737  0.796534  0.287164  1
  Al  Al14  1  0.788989  0.954426  0.303752  1
  Al  Al15  1  0.225640  0.809800  0.272774  1
  Al  Al16  1  0.186454  0.962949  0.287493  1
  Al  Al17  1  0.125092  0.120556  0.303153  1
  Al  Al18  1  0.453163  0.788155  0.303597  1
  Al  Al19  1  0.743258  0.606264  0.319911  1
  Al  Al20  1  0.268436  0.404896  0.371744  1
  Al  Al21  1  0.365313  0.594811  0.339273  1
  Al  Al22  1  0.601862  0.070588  0.371176  1
  Al  Al23  1  0.697754  0.263725  0.338511  1
  Al  Al24  1  0.649692  0.416299  0.354652  1
  Al  Al25  1  0.077836  0.273180  0.319579  1
  Al  Al26  1  0.032261  0.428476  0.338976  1
  Al  Al27  1  0.983022  0.582766  0.355170  1
  Al  Al28  1  0.268352  0.905077  0.371801  1
  Al  Al29  1  0.364098  0.095567  0.339089  1
  Al  Al30  1  0.316631  0.249597  0.354755  1
  Al  Al31  1  0.697703  0.763029  0.338950  1
  Al  Al32  1  0.650061  0.915859  0.354612  1
  Al  Al33  1  0.077158  0.771494  0.319673  1
  Al  Al34  1  0.029597  0.930079  0.338808  1
  Al  Al35  1  0.982777  0.083244  0.354423  1
  Al  Al36  1  0.317011  0.748686  0.355086  1
  Al  Al37  1  0.602197  0.571357  0.371165  1
  Al  Al38  1  0.125860  0.367996  0.421264  1
  Al  Al39  1  0.221055  0.559538  0.388301  1
  Al  Al40  1  0.459298  0.034800  0.421337  1
  Al  Al41  1  0.555574  0.225581  0.388411  1
  Al  Al42  1  0.507194  0.380040  0.405088  1
  Al  Al43  1  0.934574  0.237881  0.370786  1
  Al  Al44  1  0.888134  0.392689  0.387985  1
  Al  Al45  1  0.839795  0.547136  0.404637  1
  Al  Al46  1  0.125777  0.868350  0.421236  1
  Al  Al47  1  0.221395  0.059537  0.387986  1
  Al  Al48  1  0.173332  0.213566  0.404542  1
  Al  Al49  1  0.555078  0.725811  0.388193  1
  Al  Al50  1  0.506583  0.880431  0.404802  1
  Al  Al51  1  0.935328  0.738356  0.371831  1
  Al  Al52  1  0.888406  0.892554  0.388049  1
  Al  Al53  1  0.839850  0.047253  0.404616  1
  Al  Al54  1  0.173168  0.713848  0.404663  1
  Al  Al55  1  0.459574  0.535205  0.422004  1
  Al  Al56  1  0.982913  0.332165  0.471317  1
  Al  Al57  1  0.078323  0.523290  0.438344  1
  Al  Al58  1  0.316261  0.999112  0.471559  1
  Al  Al59  1  0.412005  0.189749  0.438317  1
  Al  Al60  1  0.364124  0.344172  0.454907  1
  Al  Al61  1  0.792508  0.201422  0.421242  1
  Al  Al62  1  0.745298  0.356499  0.438238  1
  Al  Al63  1  0.697380  0.511042  0.454885  1
  Al  Al64  1  0.982937  0.832666  0.471665  1
  Al  Al65  1  0.078221  0.023489  0.438185  1
  Al  Al66  1  0.030551  0.177665  0.454672  1
  Al  Al67  1  0.411858  0.690008  0.438450  1
  Al  Al68  1  0.363926  0.844464  0.454899  1
  Al  Al69  1  0.792405  0.701705  0.421389  1
  Al  Al70  1  0.745051  0.856753  0.438357  1
  Al  Al71  1  0.697412  0.010946  0.454854  1
  Al  Al72  1  0.030479  0.677914  0.454948  1
  Al  Al73  1  0.316344  0.499072  0.471645  1
  Al  Al74  1  0.840183  0.296129  0.521608  1
  Al  Al75  1  0.935416  0.487105  0.488157  1
  Al  Al76  1  0.173357  0.963034  0.521568  1
  Al  Al77  1  0.268865  0.153722  0.488206  1
  Al  Al78  1  0.221140  0.308190  0.504791  1
  Al  Al79  1  0.649792  0.165404  0.471520  1
  Al  Al80  1  0.602426  0.320236  0.488342  1
  Al  Al81  1  0.554603  0.474945  0.504994  1
  Al  Al82  1  0.840069  0.796604  0.521735  1
  Al  Al83  1  0.935521  0.987159  0.488288  1
  Al  Al84  1  0.887833  0.141519  0.504894  1
  Al  Al85  1  0.268669  0.653999  0.488342  1
  Al  Al86  1  0.220861  0.808561  0.504950  1
  Al  Al87  1  0.649681  0.665818  0.471578  1
  Al  Al88  1  0.602153  0.820573  0.488338  1
  Al  Al89  1  0.554414  0.975001  0.504959  1
  Al  Al90  1  0.887609  0.641843  0.504886  1
  Al  Al91  1  0.173372  0.462890  0.521441  1
  Al  Al92  1  0.697292  0.259823  0.571435  1
  Al  Al93  1  0.792773  0.450968  0.538328  1
  Al  Al94  1  0.030592  0.927272  0.572040  1
  Al  Al95  1  0.125952  0.117705  0.538258  1
  Al  Al96  1  0.077994  0.272273  0.554825  1
  Al  Al97  1  0.506843  0.129557  0.521682  1
  Al  Al98  1  0.459537  0.284246  0.538368  1
  Al  Al99  1  0.411728  0.438905  0.554978  1
  Al  Al100  1  0.697175  0.760323  0.571683  1
  Al  Al101  1  0.792669  0.951170  0.538490  1
  Al  Al102  1  0.744857  0.105457  0.555067  1
  Al  Al103  1  0.125857  0.617895  0.538287  1
  Al  Al104  1  0.077930  0.772544  0.555026  1
  Al  Al105  1  0.506762  0.629786  0.521690  1
  Al  Al106  1  0.459184  0.784618  0.538439  1
  Al  Al107  1  0.411400  0.938941  0.554987  1
  Al  Al108  1  0.744952  0.605633  0.555009  1
  Al  Al109  1  0.030229  0.426686  0.571215  1
  Al  Al110  1  0.553989  0.225003  0.622200  1
  Al  Al111  1  0.649844  0.415218  0.588411  1
  Al  Al112  1  0.888055  0.891491  0.622453  1
  Al  Al113  1  0.983176  0.081644  0.588674  1
  Al  Al114  1  0.935563  0.235869  0.605016  1
  Al  Al115  1  0.363856  0.093456  0.571505  1
  Al  Al116  1  0.316283  0.248737  0.588394  1
  Al  Al117  1  0.268881  0.402862  0.604789  1
  Al  Al118  1  0.553994  0.724069  0.621601  1
  Al  Al119  1  0.649857  0.915079  0.588592  1
  Al  Al120  1  0.602048  0.069328  0.605009  1
  Al  Al121  1  0.982957  0.581892  0.588237  1
  Al  Al122  1  0.935029  0.736554  0.604927  1
  Al  Al123  1  0.363783  0.593464  0.571559  1
  Al  Al124  1  0.316423  0.748530  0.588562  1
  Al  Al125  1  0.268100  0.903004  0.605134  1
  Al  Al126  1  0.602177  0.569731  0.604934  1
  Al  Al127  1  0.887589  0.390942  0.622240  1
  Al  Al128  1  0.412651  0.188132  0.670663  1
  Al  Al129  1  0.508111  0.378952  0.638793  1
  Al  Al130  1  0.744603  0.853903  0.671197  1
  Al  Al131  1  0.840834  0.045272  0.638960  1
  Al  Al132  1  0.791065  0.200306  0.654979  1
  Al  Al133  1  0.220443  0.057456  0.621417  1
  Al  Al134  1  0.173784  0.213082  0.638220  1
  Al  Al135  1  0.124695  0.367174  0.654808  1
  Al  Al136  1  0.412092  0.686708  0.670841  1
  Al  Al137  1  0.507214  0.879193  0.638863  1
  Al  Al138  1  0.459770  0.033438  0.654718  1
  Al  Al139  1  0.841126  0.545352  0.638781  1
  Al  Al140  1  0.792498  0.699304  0.655213  1
  Al  Al141  1  0.220437  0.557370  0.621318  1
  Al  Al142  1  0.174089  0.712379  0.638567  1
  Al  Al143  1  0.125044  0.866607  0.654925  1
  Al  Al144  1  0.460080  0.532521  0.655390  1
  Al  Al145  1  0.747479  0.354650  0.669406  1
  Al  Al146  1  0.252296  0.147782  0.721230  1
  Al  Al147  1  0.361384  0.346628  0.689060  1
  Al  Al148  1  0.593229  0.817243  0.721739  1
  Al  Al149  1  0.696763  0.012441  0.688692  1
  Al  Al150  1  0.646079  0.161571  0.705510  1
  Al  Al151  1  0.081131  0.023341  0.673150  1
  Al  Al152  1  0.031458  0.176819  0.689893  1
  Al  Al153  1  0.982171  0.326742  0.705661  1
  Al  Al154  1  0.251509  0.647629  0.721951  1
  Al  Al155  1  0.367195  0.845289  0.689097  1
  Al  Al156  1  0.309767  0.997582  0.705827  1
  Al  Al157  1  0.697913  0.511642  0.688973  1
  Al  Al158  1  0.647640  0.662911  0.705832  1
  Al  Al159  1  0.080160  0.521272  0.669310  1
  Al  Al160  1  0.033556  0.677358  0.688706  1
  Al  Al161  1  0.984629  0.824670  0.705826  1
  Al  Al162  1  0.312977  0.496394  0.705561  1
  Fe  Fe163  1  0.908969  0.689810  0.323090  1
  Fe  Fe164  1  0.574405  0.522896  0.321382  1
  Fe  Fe165  1  0.675568  0.721559  0.289333  1
  Fe  Fe166  1  0.907580  0.189626  0.320857  1
  Fe  Fe167  1  0.011745  0.387657  0.288992  1
  Fe  Fe168  1  0.962669  0.533511  0.305908  1
  Fe  Fe169  1  0.407722  0.399377  0.273640  1
  Fe  Fe170  1  0.352327  0.546988  0.289404  1
  Fe  Fe171  1  0.297276  0.698745  0.305732  1
  Fe  Fe172  1  0.572328  0.022081  0.321375  1
  Fe  Fe173  1  0.681784  0.219322  0.289032  1
  Fe  Fe174  1  0.622223  0.370123  0.304284  1
  Fe  Fe175  1  0.009815  0.886876  0.289303  1
  Fe  Fe176  1  0.962709  0.034891  0.304482  1
  Fe  Fe177  1  0.239248  0.856136  0.323366  1
  Fe  Fe178  1  0.349407  0.050983  0.289376  1
  Fe  Fe179  1  0.296289  0.200059  0.305411  1
  Fe  Fe180  1  0.628738  0.867489  0.304566  1
  Fe  Fe181  1  0.768576  0.653967  0.370984  1
  Fe  Fe182  1  0.436270  0.487890  0.372589  1
  Fe  Fe183  1  0.531139  0.679748  0.337919  1
  Fe  Fe184  1  0.768184  0.154025  0.370863  1
  Fe  Fe185  1  0.864664  0.346929  0.337862  1
  Fe  Fe186  1  0.815686  0.499785  0.354284  1
  Fe  Fe187  1  0.244785  0.357779  0.322094  1
  Fe  Fe188  1  0.195866  0.513697  0.338168  1
  Fe  Fe189  1  0.148648  0.666154  0.354310  1
  Fe  Fe190  1  0.435480  0.986822  0.371122  1
  Fe  Fe191  1  0.532112  0.178817  0.338595  1
  Fe  Fe192  1  0.483164  0.332069  0.355228  1
  Fe  Fe193  1  0.865305  0.845735  0.337853  1
  Fe  Fe194  1  0.815320  0.999724  0.354625  1
  Fe  Fe195  1  0.102072  0.820496  0.370767  1
  Fe  Fe196  1  0.197328  0.012811  0.337957  1
  Fe  Fe197  1  0.148514  0.166854  0.354205  1
  Fe  Fe198  1  0.481995  0.832612  0.354751  1
  Fe  Fe199  1  0.625914  0.618395  0.421471  1
  Fe  Fe200  1  0.292557  0.451810  0.421694  1
  Fe  Fe201  1  0.388607  0.642484  0.388721  1
  Fe  Fe202  1  0.625890  0.117987  0.421420  1
  Fe  Fe203  1  0.721680  0.309483  0.388331  1
  Fe  Fe204  1  0.673383  0.463853  0.404751  1
  Fe  Fe205  1  0.102132  0.320040  0.370883  1
  Fe  Fe206  1  0.054685  0.476051  0.388543  1
  Fe  Fe207  1  0.006664  0.630543  0.404970  1
  Fe  Fe208  1  0.292308  0.952020  0.421596  1
  Fe  Fe209  1  0.388478  0.142786  0.388459  1
  Fe  Fe210  1  0.340369  0.296834  0.404822  1
  Fe  Fe211  1  0.721286  0.809691  0.388522  1
  Fe  Fe212  1  0.673662  0.963584  0.404712  1
  Fe  Fe213  1  0.959136  0.785354  0.421672  1
  Fe  Fe214  1  0.054372  0.976582  0.388345  1
  Fe  Fe215  1  0.006551  0.130594  0.404492  1
  Fe  Fe216  1  0.340279  0.797004  0.404886  1
  Fe  Fe217  1  0.483130  0.582512  0.471785  1
  Fe  Fe218  1  0.149637  0.415498  0.471403  1
  Fe  Fe219  1  0.244882  0.606760  0.438320  1
  Fe  Fe220  1  0.483090  0.082189  0.471526  1
  Fe  Fe221  1  0.578875  0.272922  0.438360  1
  Fe  Fe222  1  0.530874  0.427524  0.455040  1
  Fe  Fe223  1  0.958962  0.284826  0.421145  1
  Fe  Fe224  1  0.911776  0.439844  0.438084  1
  Fe  Fe225  1  0.863778  0.594487  0.454799  1
  Fe  Fe226  1  0.149558  0.915797  0.471436  1
  Fe  Fe227  1  0.245207  0.106504  0.438114  1
  Fe  Fe228  1  0.197294  0.260863  0.454704  1
  Fe  Fe229  1  0.578486  0.773286  0.438260  1
  Fe  Fe230  1  0.530517  0.927787  0.454882  1
  Fe  Fe231  1  0.816253  0.749216  0.471573  1
  Fe  Fe232  1  0.911855  0.939967  0.438148  1
  Fe  Fe233  1  0.863886  0.094344  0.454775  1
  Fe  Fe234  1  0.197058  0.761251  0.454832  1
  Fe  Fe235  1  0.340098  0.546327  0.521600  1
  Fe  Fe236  1  0.006657  0.379449  0.521335  1
  Fe  Fe237  1  0.102047  0.570572  0.488291  1
  Fe  Fe238  1  0.340093  0.046280  0.521552  1
  Fe  Fe239  1  0.435730  0.236931  0.488324  1
  Fe  Fe240  1  0.387932  0.391535  0.504940  1
  Fe  Fe241  1  0.816366  0.248787  0.471445  1
  Fe  Fe242  1  0.768981  0.403653  0.488275  1
  Fe  Fe243  1  0.721126  0.558383  0.504946  1
  Fe  Fe244  1  0.006730  0.879975  0.521790  1
  Fe  Fe245  1  0.102100  0.070508  0.488216  1
  Fe  Fe246  1  0.054350  0.224911  0.504775  1
  Fe  Fe247  1  0.435458  0.737312  0.488405  1
  Fe  Fe248  1  0.387685  0.891743  0.504942  1
  Fe  Fe249  1  0.673424  0.713119  0.521647  1
  Fe  Fe250  1  0.768819  0.903932  0.488392  1
  Fe  Fe251  1  0.721136  0.058235  0.504965  1
  Fe  Fe252  1  0.054225  0.725254  0.504975  1
  Fe  Fe253  1  0.196985  0.510136  0.571409  1
  Fe  Fe254  1  0.863821  0.343538  0.571806  1
  Fe  Fe255  1  0.959181  0.534505  0.538187  1
  Fe  Fe256  1  0.197053  0.010242  0.571582  1
  Fe  Fe257  1  0.292597  0.201099  0.538300  1
  Fe  Fe258  1  0.244958  0.355545  0.554799  1
  Fe  Fe259  1  0.673584  0.212651  0.521541  1
  Fe  Fe260  1  0.626123  0.367662  0.538364  1
  Fe  Fe261  1  0.578353  0.522296  0.554972  1
  Fe  Fe262  1  0.863896  0.844097  0.571959  1
  Fe  Fe263  1  0.959373  0.034391  0.538457  1
  Fe  Fe264  1  0.911756  0.188637  0.554983  1
  Fe  Fe265  1  0.292474  0.701314  0.538413  1
  Fe  Fe266  1  0.244593  0.855763  0.555058  1
  Fe  Fe267  1  0.530386  0.677020  0.571636  1
  Fe  Fe268  1  0.625936  0.867883  0.538444  1
  Fe  Fe269  1  0.578236  0.022131  0.555021  1
  Fe  Fe270  1  0.911406  0.689122  0.554934  1
  Fe  Fe271  1  0.053660  0.473482  0.620768  1
  Fe  Fe272  1  0.720889  0.306872  0.620932  1
  Fe  Fe273  1  0.816845  0.498218  0.588492  1
  Fe  Fe274  1  0.054536  0.974870  0.622450  1
  Fe  Fe275  1  0.149828  0.165125  0.588265  1
  Fe  Fe276  1  0.101346  0.319884  0.604803  1
  Fe  Fe277  1  0.530481  0.176998  0.571876  1
  Fe  Fe278  1  0.483581  0.331721  0.588475  1
  Fe  Fe279  1  0.435628  0.486164  0.605105  1
  Fe  Fe280  1  0.721011  0.807197  0.621630  1
  Fe  Fe281  1  0.816639  0.998342  0.588686  1
  Fe  Fe282  1  0.768362  0.152641  0.605133  1
  Fe  Fe283  1  0.149687  0.665294  0.588354  1
  Fe  Fe284  1  0.101670  0.819567  0.605084  1
  Fe  Fe285  1  0.387618  0.640008  0.621449  1
  Fe  Fe286  1  0.482965  0.831990  0.588578  1
  Fe  Fe287  1  0.435187  0.985983  0.604977  1
  Fe  Fe288  1  0.768904  0.652755  0.605095  1
  Fe  Fe289  1  0.912298  0.438547  0.673141  1
  Fe  Fe290  1  0.577602  0.272935  0.673139  1
  Fe  Fe291  1  0.673472  0.463627  0.638354  1
  Fe  Fe292  1  0.913033  0.938217  0.673504  1
  Fe  Fe293  1  0.007202  0.129476  0.638918  1
  Fe  Fe294  1  0.960756  0.282104  0.654968  1
  Fe  Fe295  1  0.387599  0.140822  0.621218  1
  Fe  Fe296  1  0.340027  0.296897  0.638562  1
  Fe  Fe297  1  0.293459  0.450213  0.654557  1
  Fe  Fe298  1  0.577786  0.770336  0.671447  1
  Fe  Fe299  1  0.674034  0.962567  0.638654  1
  Fe  Fe300  1  0.625793  0.117165  0.654636  1
  Fe  Fe301  1  0.006592  0.630178  0.638162  1
  Fe  Fe302  1  0.959115  0.783097  0.654897  1
  Fe  Fe303  1  0.245105  0.603695  0.671154  1
  Fe  Fe304  1  0.340604  0.796224  0.638732  1
  Fe  Fe305  1  0.292158  0.950541  0.654985  1
  Fe  Fe306  1  0.626186  0.616786  0.654902  1
  Fe  Fe307  1  0.753105  0.394705  0.719362  1
  Fe  Fe308  1  0.424300  0.233064  0.720101  1
  Fe  Fe309  1  0.535948  0.425165  0.689280  1
  Fe  Fe310  1  0.766386  0.900770  0.720064  1
  Fe  Fe311  1  0.865147  0.093647  0.688662  1
  Fe  Fe312  1  0.804721  0.249790  0.704476  1
  Fe  Fe313  1  0.247388  0.105639  0.670227  1
  Fe  Fe314  1  0.201101  0.260624  0.688030  1
  Fe  Fe315  1  0.137517  0.416882  0.704531  1
  Fe  Fe316  1  0.422741  0.731220  0.720439  1
  Fe  Fe317  1  0.532997  0.928881  0.688708  1
  Fe  Fe318  1  0.476059  0.081040  0.704499  1
  Fe  Fe319  1  0.869320  0.592204  0.689077  1
  Fe  Fe320  1  0.812682  0.746440  0.704793  1
  Fe  Fe321  1  0.080906  0.560134  0.719540  1
  Fe  Fe322  1  0.203631  0.760296  0.688270  1
  Fe  Fe323  1  0.144571  0.910867  0.704704  1
  Fe  Fe324  1  0.477203  0.581281  0.705042  1
