# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30121059
_cell_length_b   28.69442325
_cell_length_c   49.18693492
_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   'Al216 Fe36'
_cell_volume   8893.47020323
_cell_formula_units_Z   36
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  0.495240  0.739721  0.348983  1
  Al  Al2  1  0.500201  0.135012  0.396687  1
  Al  Al3  1  0.488562  0.343754  0.302184  1
  Al  Al4  1  0.152605  0.493087  0.368813  1
  Al  Al5  1  0.150017  0.889052  0.417078  1
  Al  Al6  1  0.153851  0.098009  0.320372  1
  Al  Al7  1  0.506695  0.832816  0.420109  1
  Al  Al8  1  0.505375  0.042937  0.325733  1
  Al  Al9  1  0.504353  0.436421  0.372135  1
  Al  Al10  1  0.856278  0.455177  0.341796  1
  Al  Al11  1  0.858184  0.851694  0.388129  1
  Al  Al12  1  0.849156  0.055381  0.294238  1
  Al  Al13  1  0.697017  0.757946  0.396247  1
  Al  Al14  1  0.685546  0.967574  0.305201  1
  Al  Al15  1  0.696494  0.361627  0.348090  1
  Al  Al16  1  0.506107  0.512482  0.338355  1
  Al  Al17  1  0.502544  0.908184  0.385778  1
  Al  Al18  1  0.526243  0.119217  0.293409  1
  Al  Al19  1  0.149248  0.550044  0.412269  1
  Al  Al20  1  0.145977  0.757040  0.316718  1
  Al  Al21  1  0.149985  0.154457  0.364424  1
  Al  Al22  1  0.811826  0.691797  0.316677  1
  Al  Al23  1  0.816319  0.086828  0.360218  1
  Al  Al24  1  0.810664  0.482933  0.409021  1
  Al  Al25  1  0.807483  0.560735  0.372462  1
  Al  Al26  1  0.810370  0.956163  0.420377  1
  Al  Al27  1  0.818358  0.164247  0.325222  1
  Al  Al28  1  0.193729  0.785075  0.384581  1
  Al  Al29  1  0.228890  0.993916  0.293891  1
  Al  Al30  1  0.196205  0.388710  0.338111  1
  Al  Al31  1  0.865968  0.399161  0.298302  1
  Al  Al32  1  0.850906  0.794164  0.345291  1
  Al  Al33  1  0.856304  0.190819  0.393061  1
  Al  Al34  1  0.503922  0.606292  0.409417  1
  Al  Al35  1  0.493358  0.815419  0.314723  1
  Al  Al36  1  0.510611  0.210581  0.362125  1
  Al  Al37  1  1.000201  0.635012  0.396687  1
  Al  Al38  1  0.988562  0.843754  0.302184  1
  Al  Al39  1  0.995240  0.239721  0.348983  1
  Al  Al40  1  0.653851  0.598009  0.320372  1
  Al  Al41  1  0.652605  0.993087  0.368813  1
  Al  Al42  1  0.650017  0.389052  0.417078  1
  Al  Al43  1  0.005375  0.542937  0.325733  1
  Al  Al44  1  0.004353  0.936421  0.372135  1
  Al  Al45  1  0.006695  0.332816  0.420109  1
  Al  Al46  1  0.349156  0.555381  0.294238  1
  Al  Al47  1  0.356278  0.955177  0.341796  1
  Al  Al48  1  0.358184  0.351694  0.388129  1
  Al  Al49  1  0.185546  0.467574  0.305201  1
  Al  Al50  1  0.196494  0.861627  0.348090  1
  Al  Al51  1  0.197017  0.257946  0.396247  1
  Al  Al52  1  0.026243  0.619217  0.293409  1
  Al  Al53  1  0.006107  0.012482  0.338355  1
  Al  Al54  1  1.002544  0.408184  0.385778  1
  Al  Al55  1  0.649985  0.654457  0.364424  1
  Al  Al56  1  0.649248  0.050044  0.412269  1
  Al  Al57  1  0.645977  0.257040  0.316718  1
  Al  Al58  1  0.316319  0.586828  0.360218  1
  Al  Al59  1  0.310664  0.982933  0.409021  1
  Al  Al60  1  0.311826  0.191797  0.316677  1
  Al  Al61  1  0.318358  0.664247  0.325222  1
  Al  Al62  1  0.307483  0.060735  0.372462  1
  Al  Al63  1  0.310370  0.456163  0.420377  1
  Al  Al64  1  0.728890  0.493916  0.293891  1
  Al  Al65  1  0.696205  0.888710  0.338111  1
  Al  Al66  1  0.693729  0.285075  0.384581  1
  Al  Al67  1  0.356304  0.690819  0.393061  1
  Al  Al68  1  0.365968  0.899161  0.298302  1
  Al  Al69  1  0.350906  0.294164  0.345291  1
  Al  Al70  1  0.010611  0.710581  0.362125  1
  Al  Al71  1  0.003922  0.106292  0.409417  1
  Al  Al72  1  0.993358  0.315419  0.314723  1
  Al  Al73  1  0.501236  0.926881  0.491882  1
  Al  Al74  1  0.501469  0.322941  0.539808  1
  Al  Al75  1  0.500427  0.530903  0.443972  1
  Al  Al76  1  0.150429  0.681093  0.512884  1
  Al  Al77  1  0.149362  0.077068  0.560968  1
  Al  Al78  1  0.150609  0.285080  0.465036  1
  Al  Al79  1  0.504884  0.020849  0.563832  1
  Al  Al80  1  0.505890  0.229010  0.467974  1
  Al  Al81  1  0.505207  0.624863  0.515835  1
  Al  Al82  1  0.856332  0.644113  0.484344  1
  Al  Al83  1  0.856153  0.040127  0.532192  1
  Al  Al84  1  0.857399  0.248138  0.436260  1
  Al  Al85  1  0.696216  0.946263  0.540165  1
  Al  Al86  1  0.696454  0.154403  0.444555  1
  Al  Al87  1  0.695894  0.550197  0.492295  1
  Al  Al88  1  0.501554  0.700343  0.481393  1
  Al  Al89  1  0.500872  0.096197  0.529254  1
  Al  Al90  1  0.501878  0.304358  0.433396  1
  Al  Al91  1  0.150842  0.738266  0.556095  1
  Al  Al92  1  0.150092  0.946092  0.460371  1
  Al  Al93  1  0.150495  0.342114  0.508294  1
  Al  Al94  1  0.810546  0.878944  0.457063  1
  Al  Al95  1  0.810868  0.275009  0.504933  1
  Al  Al96  1  0.810307  0.670803  0.552673  1
  Al  Al97  1  0.810791  0.748284  0.516269  1
  Al  Al98  1  0.810464  0.144315  0.564139  1
  Al  Al99  1  0.810670  0.352242  0.468316  1
  Al  Al100  1  0.196092  0.972964  0.528912  1
  Al  Al101  1  0.196298  0.180891  0.433089  1
  Al  Al102  1  0.195971  0.576922  0.480959  1
  Al  Al103  1  0.855919  0.586941  0.441133  1
  Al  Al104  1  0.856266  0.983092  0.488934  1
  Al  Al105  1  0.856670  0.379115  0.536857  1
  Al  Al106  1  0.506334  0.794303  0.553256  1
  Al  Al107  1  0.505292  1.002266  0.457420  1
  Al  Al108  1  0.505526  0.398325  0.505346  1
  Al  Al109  1  1.001469  0.822941  0.539808  1
  Al  Al110  1  1.000427  0.030903  0.443972  1
  Al  Al111  1  1.001236  0.426881  0.491882  1
  Al  Al112  1  0.650609  0.785080  0.465036  1
  Al  Al113  1  0.650429  0.181093  0.512884  1
  Al  Al114  1  0.649362  0.577068  0.560968  1
  Al  Al115  1  0.005890  0.729010  0.467974  1
  Al  Al116  1  0.005207  0.124863  0.515835  1
  Al  Al117  1  0.004884  0.520849  0.563832  1
  Al  Al118  1  0.357399  0.748138  0.436260  1
  Al  Al119  1  0.356332  0.144113  0.484344  1
  Al  Al120  1  0.356153  0.540127  0.532192  1
  Al  Al121  1  0.196454  0.654403  0.444555  1
  Al  Al122  1  0.195894  0.050197  0.492295  1
  Al  Al123  1  0.196216  0.446263  0.540165  1
  Al  Al124  1  1.001878  0.804358  0.433396  1
  Al  Al125  1  1.001554  0.200343  0.481393  1
  Al  Al126  1  1.000872  0.596197  0.529254  1
  Al  Al127  1  0.650495  0.842114  0.508294  1
  Al  Al128  1  0.650842  0.238266  0.556095  1
  Al  Al129  1  0.650092  0.446092  0.460371  1
  Al  Al130  1  0.310868  0.775009  0.504933  1
  Al  Al131  1  0.310307  0.170803  0.552673  1
  Al  Al132  1  0.310546  0.378944  0.457063  1
  Al  Al133  1  0.310670  0.852242  0.468316  1
  Al  Al134  1  0.310791  0.248284  0.516269  1
  Al  Al135  1  0.310464  0.644315  0.564139  1
  Al  Al136  1  0.696298  0.680891  0.433089  1
  Al  Al137  1  0.695971  0.076922  0.480959  1
  Al  Al138  1  0.696092  0.472964  0.528912  1
  Al  Al139  1  0.356670  0.879115  0.536857  1
  Al  Al140  1  0.355919  0.086941  0.441133  1
  Al  Al141  1  0.356266  0.483092  0.488934  1
  Al  Al142  1  0.005526  0.898325  0.505346  1
  Al  Al143  1  0.006334  0.294303  0.553256  1
  Al  Al144  1  0.005292  0.502266  0.457420  1
  Al  Al145  1  0.496151  0.114625  0.635103  1
  Al  Al146  1  0.513404  0.509787  0.682506  1
  Al  Al147  1  0.502840  0.718914  0.587811  1
  Al  Al148  1  0.150483  0.870029  0.655432  1
  Al  Al149  1  0.157605  0.269825  0.702990  1
  Al  Al150  1  0.148578  0.473512  0.609099  1
  Al  Al151  1  0.480519  0.205990  0.703819  1
  Al  Al152  1  0.504217  0.417023  0.611451  1
  Al  Al153  1  0.500655  0.812725  0.658873  1
  Al  Al154  1  0.854157  0.832119  0.628415  1
  Al  Al155  1  0.852910  0.227197  0.676856  1
  Al  Al156  1  0.856745  0.436155  0.580150  1
  Al  Al157  1  0.694935  0.133410  0.680551  1
  Al  Al158  1  0.696097  0.342274  0.588207  1
  Al  Al159  1  0.690442  0.738378  0.637010  1
  Al  Al160  1  0.502409  0.888786  0.625093  1
  Al  Al161  1  0.501386  0.282269  0.671495  1
  Al  Al162  1  0.500066  0.492390  0.577119  1
  Al  Al163  1  0.140793  0.926045  0.698926  1
  Al  Al164  1  0.150458  0.134387  0.604167  1
  Al  Al165  1  0.155856  0.531043  0.651937  1
  Al  Al166  1  0.809744  0.067260  0.600981  1
  Al  Al167  1  0.810267  0.463579  0.649138  1
  Al  Al168  1  0.821216  0.857632  0.692027  1
  Al  Al169  1  0.810557  0.936496  0.659117  1
  Al  Al170  1  0.777872  0.331291  0.703337  1
  Al  Al171  1  0.813032  0.540132  0.612647  1
  Al  Al172  1  0.188404  0.160959  0.672006  1
  Al  Al173  1  0.196392  0.369043  0.576852  1
  Al  Al174  1  0.199279  0.764471  0.624766  1
  Al  Al175  1  0.857513  0.775163  0.584959  1
  Al  Al176  1  0.856776  0.170750  0.632804  1
  Al  Al177  1  0.860785  0.568166  0.680510  1
  Al  Al178  1  0.518199  0.981452  0.695044  1
  Al  Al179  1  0.506561  0.190195  0.600541  1
  Al  Al180  1  0.511521  0.585485  0.648245  1
  Al  Al181  1  0.013404  0.009787  0.682506  1
  Al  Al182  1  1.002840  0.218914  0.587811  1
  Al  Al183  1  0.996151  0.614625  0.635103  1
  Al  Al184  1  0.648578  0.973512  0.609099  1
  Al  Al185  1  0.650483  0.370029  0.655432  1
  Al  Al186  1  0.657605  0.769825  0.702990  1
  Al  Al187  1  0.004217  0.917023  0.611451  1
  Al  Al188  1  1.000655  0.312725  0.658873  1
  Al  Al189  1  0.980519  0.705990  0.703819  1
  Al  Al190  1  0.356745  0.936155  0.580150  1
  Al  Al191  1  0.354157  0.332119  0.628415  1
  Al  Al192  1  0.352910  0.727197  0.676856  1
  Al  Al193  1  0.196097  0.842274  0.588207  1
  Al  Al194  1  0.190442  0.238378  0.637010  1
  Al  Al195  1  0.194935  0.633410  0.680551  1
  Al  Al196  1  1.000066  0.992390  0.577119  1
  Al  Al197  1  1.002409  0.388786  0.625093  1
  Al  Al198  1  1.001386  0.782269  0.671495  1
  Al  Al199  1  0.655856  0.031043  0.651937  1
  Al  Al200  1  0.640793  0.426045  0.698926  1
  Al  Al201  1  0.650458  0.634387  0.604167  1
  Al  Al202  1  0.310267  0.963579  0.649138  1
  Al  Al203  1  0.321216  0.357632  0.692027  1
  Al  Al204  1  0.309744  0.567260  0.600981  1
  Al  Al205  1  0.313032  0.040132  0.612647  1
  Al  Al206  1  0.310557  0.436496  0.659117  1
  Al  Al207  1  0.277872  0.831291  0.703337  1
  Al  Al208  1  0.696392  0.869043  0.576852  1
  Al  Al209  1  0.699279  0.264471  0.624766  1
  Al  Al210  1  0.688404  0.660959  0.672006  1
  Al  Al211  1  0.360785  0.068166  0.680510  1
  Al  Al212  1  0.357513  0.275163  0.584959  1
  Al  Al213  1  0.356776  0.670750  0.632804  1
  Al  Al214  1  0.011521  0.085485  0.648245  1
  Al  Al215  1  0.018199  0.481452  0.695044  1
  Al  Al216  1  0.006561  0.690195  0.600541  1
  Fe  Fe217  1  0.484453  0.521513  0.390893  1
  Fe  Fe218  1  0.493045  0.731249  0.297467  1
  Fe  Fe219  1  0.487964  0.126345  0.344784  1
  Fe  Fe220  1  0.523631  0.428197  0.319786  1
  Fe  Fe221  1  0.520435  0.823849  0.367409  1
  Fe  Fe222  1  0.522409  0.219789  0.414914  1
  Fe  Fe223  1  0.987964  0.626345  0.344784  1
  Fe  Fe224  1  0.984453  0.021513  0.390893  1
  Fe  Fe225  1  0.993045  0.231249  0.297467  1
  Fe  Fe226  1  0.022409  0.719789  0.414914  1
  Fe  Fe227  1  0.023631  0.928197  0.319786  1
  Fe  Fe228  1  0.020435  0.323849  0.367409  1
  Fe  Fe229  1  0.485028  0.709619  0.534542  1
  Fe  Fe230  1  0.484725  0.917604  0.438757  1
  Fe  Fe231  1  0.485138  0.313645  0.486642  1
  Fe  Fe232  1  0.521733  0.615588  0.462686  1
  Fe  Fe233  1  0.521623  0.011561  0.510586  1
  Fe  Fe234  1  0.522037  0.407602  0.558471  1
  Fe  Fe235  1  0.985138  0.813645  0.486642  1
  Fe  Fe236  1  0.985028  0.209619  0.534542  1
  Fe  Fe237  1  0.984725  0.417604  0.438757  1
  Fe  Fe238  1  0.022037  0.907602  0.558471  1
  Fe  Fe239  1  0.021733  0.115588  0.462686  1
  Fe  Fe240  1  0.021623  0.511561  0.510586  1
  Fe  Fe241  1  0.483131  0.897009  0.677442  1
  Fe  Fe242  1  0.484353  0.105418  0.582314  1
  Fe  Fe243  1  0.486326  0.501357  0.629819  1
  Fe  Fe244  1  0.522309  0.803694  0.606336  1
  Fe  Fe245  1  0.518798  0.198861  0.652444  1
  Fe  Fe246  1  0.513717  0.593958  0.699761  1
  Fe  Fe247  1  0.986326  1.001357  0.629819  1
  Fe  Fe248  1  0.983131  0.397009  0.677442  1
  Fe  Fe249  1  0.984353  0.605418  0.582314  1
  Fe  Fe250  1  0.013717  0.093958  0.699761  1
  Fe  Fe251  1  0.022309  0.303694  0.606336  1
  Fe  Fe252  1  0.018798  0.698861  0.652444  1
