# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.90081738
_cell_length_b   18.68478228
_cell_length_c   51.60763799
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.55768780
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Fe
_chemical_formula_sum   'Al240 Fe40'
_cell_volume   9322.90580145
_cell_formula_units_Z   40
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  0.546126  0.779230  0.303046  1
  Al  Al2  1  0.373492  0.237513  0.344973  1
  Al  Al3  1  0.863713  0.943721  0.278952  1
  Al  Al4  1  0.654776  0.456571  0.324909  1
  Al  Al5  1  0.450842  1.002245  0.325164  1
  Al  Al6  1  0.629038  0.548252  0.286122  1
  Al  Al7  1  0.686146  0.050899  0.309622  1
  Al  Al8  1  0.494589  0.528553  0.358442  1
  Al  Al9  1  0.404086  0.141569  0.306036  1
  Al  Al10  1  0.215816  0.607541  0.350588  1
  Al  Al11  1  0.682606  0.979859  0.356981  1
  Al  Al12  1  0.878806  0.522736  0.310848  1
  Al  Al13  1  0.511118  0.779309  0.356309  1
  Al  Al14  1  0.705638  0.316978  0.309389  1
  Al  Al15  1  0.623323  0.917096  0.290110  1
  Al  Al16  1  0.432215  0.381701  0.329586  1
  Al  Al17  1  0.848400  0.880853  0.324411  1
  Al  Al18  1  0.043684  0.418860  0.280250  1
  Al  Al19  1  0.293885  0.099326  0.361664  1
  Al  Al20  1  0.484834  0.646174  0.320348  1
  Al  Al21  1  0.638228  0.197766  0.325134  1
  Al  Al22  1  0.796671  0.782746  0.287431  1
  Al  Al23  1  0.771869  0.747220  0.337775  1
  Al  Al24  1  0.963326  0.283518  0.291757  1
  Al  Al25  1  0.046126  0.779230  0.303046  1
  Al  Al26  1  0.873492  0.237513  0.344973  1
  Al  Al27  1  0.363713  0.943721  0.278952  1
  Al  Al28  1  0.154776  0.456571  0.324909  1
  Al  Al29  1  0.950842  1.002245  0.325164  1
  Al  Al30  1  0.129038  0.548252  0.286122  1
  Al  Al31  1  0.186146  0.050899  0.309622  1
  Al  Al32  1  0.994589  0.528553  0.358442  1
  Al  Al33  1  0.904086  0.141569  0.306036  1
  Al  Al34  1  0.715816  0.607541  0.350588  1
  Al  Al35  1  0.182606  0.979859  0.356981  1
  Al  Al36  1  0.378806  0.522736  0.310848  1
  Al  Al37  1  0.011118  0.779309  0.356309  1
  Al  Al38  1  0.205638  0.316978  0.309389  1
  Al  Al39  1  0.123323  0.917096  0.290110  1
  Al  Al40  1  0.932215  0.381701  0.329586  1
  Al  Al41  1  0.348400  0.880853  0.324411  1
  Al  Al42  1  0.543684  0.418860  0.280250  1
  Al  Al43  1  0.793885  0.099326  0.361664  1
  Al  Al44  1  0.984834  0.646174  0.320348  1
  Al  Al45  1  0.138228  0.197766  0.325134  1
  Al  Al46  1  0.296671  0.782746  0.287431  1
  Al  Al47  1  0.271869  0.747220  0.337775  1
  Al  Al48  1  0.463326  0.283518  0.291757  1
  Al  Al49  1  0.174436  0.700715  0.393365  1
  Al  Al50  1  0.981422  0.166527  0.438182  1
  Al  Al51  1  0.456381  0.922462  0.370305  1
  Al  Al52  1  0.267310  0.383540  0.413785  1
  Al  Al53  1  0.075525  0.934865  0.416730  1
  Al  Al54  1  0.268084  0.469016  0.370720  1
  Al  Al55  1  0.301802  0.993228  0.404830  1
  Al  Al56  1  0.115926  0.455646  0.449802  1
  Al  Al57  1  0.021760  0.073999  0.396822  1
  Al  Al58  1  0.832191  0.537655  0.443076  1
  Al  Al59  1  0.301187  0.909118  0.449325  1
  Al  Al60  1  0.495296  0.442460  0.402641  1
  Al  Al61  1  0.131376  0.709650  0.446639  1
  Al  Al62  1  0.327331  0.242921  0.398680  1
  Al  Al63  1  0.238845  0.842249  0.377312  1
  Al  Al64  1  0.050290  0.302185  0.420517  1
  Al  Al65  1  0.470393  0.812793  0.410963  1
  Al  Al66  1  0.665171  0.345583  0.363146  1
  Al  Al67  1  0.908082  0.029851  0.454856  1
  Al  Al68  1  0.099792  0.563941  0.409041  1
  Al  Al69  1  0.245649  0.133833  0.418129  1
  Al  Al70  1  0.439865  0.666951  0.373939  1
  Al  Al71  1  0.396267  0.675393  0.426617  1
  Al  Al72  1  0.592047  0.210394  0.378441  1
  Al  Al73  1  0.674436  0.700715  0.393365  1
  Al  Al74  1  0.481422  0.166527  0.438182  1
  Al  Al75  1  0.956381  0.922462  0.370305  1
  Al  Al76  1  0.767310  0.383540  0.413785  1
  Al  Al77  1  0.575525  0.934865  0.416730  1
  Al  Al78  1  0.768084  0.469016  0.370720  1
  Al  Al79  1  0.801802  0.993228  0.404830  1
  Al  Al80  1  0.615926  0.455646  0.449802  1
  Al  Al81  1  0.521760  0.073999  0.396822  1
  Al  Al82  1  0.332191  0.537655  0.443076  1
  Al  Al83  1  0.801187  0.909118  0.449325  1
  Al  Al84  1  0.995296  0.442460  0.402641  1
  Al  Al85  1  0.631376  0.709650  0.446639  1
  Al  Al86  1  0.827331  0.242921  0.398680  1
  Al  Al87  1  0.738845  0.842249  0.377312  1
  Al  Al88  1  0.550290  0.302185  0.420517  1
  Al  Al89  1  0.970393  0.812793  0.410963  1
  Al  Al90  1  0.165171  0.345583  0.363146  1
  Al  Al91  1  0.408082  0.029851  0.454856  1
  Al  Al92  1  0.599792  0.563941  0.409041  1
  Al  Al93  1  0.745649  0.133833  0.418129  1
  Al  Al94  1  0.939865  0.666951  0.373939  1
  Al  Al95  1  0.896267  0.675393  0.426617  1
  Al  Al96  1  0.092047  0.210394  0.378441  1
  Al  Al97  1  0.792029  0.631111  0.484518  1
  Al  Al98  1  0.600989  0.095827  0.530180  1
  Al  Al99  1  0.073784  0.851044  0.460665  1
  Al  Al100  1  0.884586  0.315316  0.505289  1
  Al  Al101  1  0.695055  0.864221  0.507738  1
  Al  Al102  1  0.888079  0.398273  0.460874  1
  Al  Al103  1  0.922805  0.921619  0.496520  1
  Al  Al104  1  0.733607  0.385891  0.541144  1
  Al  Al105  1  0.640373  1.003124  0.489135  1
  Al  Al106  1  0.450635  0.467474  0.534116  1
  Al  Al107  1  0.919312  0.838662  0.540936  1
  Al  Al108  1  0.112337  0.372713  0.494071  1
  Al  Al109  1  0.749907  0.640158  0.537577  1
  Al  Al110  1  0.942168  0.174219  0.491551  1
  Al  Al111  1  0.856756  0.769461  0.467694  1
  Al  Al112  1  0.667018  0.233810  0.512674  1
  Al  Al113  1  0.088393  0.743281  0.501786  1
  Al  Al114  1  0.280207  0.277665  0.455104  1
  Al  Al115  1  0.527184  0.959270  0.546705  1
  Al  Al116  1  0.718998  0.493654  0.500024  1
  Al  Al117  1  0.865223  0.062716  0.510258  1
  Al  Al118  1  0.057484  0.596777  0.464232  1
  Al  Al119  1  0.015362  0.605823  0.517292  1
  Al  Al120  1  0.206402  0.141107  0.471630  1
  Al  Al121  1  0.292029  0.631111  0.484518  1
  Al  Al122  1  0.100989  0.095827  0.530180  1
  Al  Al123  1  0.573784  0.851044  0.460665  1
  Al  Al124  1  0.384586  0.315316  0.505289  1
  Al  Al125  1  0.195055  0.864221  0.507738  1
  Al  Al126  1  0.388079  0.398273  0.460874  1
  Al  Al127  1  0.422805  0.921619  0.496520  1
  Al  Al128  1  0.233607  0.385891  0.541144  1
  Al  Al129  1  0.140373  1.003124  0.489135  1
  Al  Al130  1  0.950635  0.467474  0.534116  1
  Al  Al131  1  0.419312  0.838662  0.540936  1
  Al  Al132  1  0.612337  0.372713  0.494071  1
  Al  Al133  1  0.249907  0.640158  0.537577  1
  Al  Al134  1  0.442168  0.174219  0.491551  1
  Al  Al135  1  0.356756  0.769461  0.467694  1
  Al  Al136  1  0.167018  0.233810  0.512674  1
  Al  Al137  1  0.588393  0.743281  0.501786  1
  Al  Al138  1  0.780207  0.277665  0.455104  1
  Al  Al139  1  0.027184  0.959270  0.546705  1
  Al  Al140  1  0.218998  0.493654  0.500024  1
  Al  Al141  1  0.365223  0.062716  0.510258  1
  Al  Al142  1  0.557484  0.596777  0.464232  1
  Al  Al143  1  0.515362  0.605823  0.517292  1
  Al  Al144  1  0.706402  0.141107  0.471630  1
  Al  Al145  1  0.411125  0.561542  0.575192  1
  Al  Al146  1  0.215344  0.026540  0.623369  1
  Al  Al147  1  0.691465  0.781288  0.552007  1
  Al  Al148  1  0.505589  0.243707  0.596980  1
  Al  Al149  1  0.312095  0.794474  0.599169  1
  Al  Al150  1  0.506204  0.327817  0.552484  1
  Al  Al151  1  0.540081  0.853395  0.588024  1
  Al  Al152  1  0.351010  0.314473  0.631504  1
  Al  Al153  1  0.257101  0.934749  0.581292  1
  Al  Al154  1  0.068546  0.394686  0.624497  1
  Al  Al155  1  0.539307  0.767919  0.631089  1
  Al  Al156  1  0.731866  0.302070  0.585079  1
  Al  Al157  1  0.367526  0.569984  0.627871  1
  Al  Al158  1  0.561742  0.103102  0.583680  1
  Al  Al159  1  0.475200  0.699280  0.558733  1
  Al  Al160  1  0.285631  0.162936  0.604987  1
  Al  Al161  1  0.707599  0.672994  0.592768  1
  Al  Al162  1  0.899309  0.207084  0.546953  1
  Al  Al163  1  0.142220  0.891351  0.638663  1
  Al  Al164  1  0.336999  0.424141  0.590846  1
  Al  Al165  1  0.480060  0.994013  0.603129  1
  Al  Al166  1  0.676015  0.527285  0.555170  1
  Al  Al167  1  0.632955  0.536220  0.608445  1
  Al  Al168  1  0.825969  0.070408  0.563628  1
  Al  Al169  1  0.911125  0.561542  0.575192  1
  Al  Al170  1  0.715344  0.026540  0.623369  1
  Al  Al171  1  0.191465  0.781288  0.552007  1
  Al  Al172  1  0.005589  0.243707  0.596980  1
  Al  Al173  1  0.812095  0.794474  0.599169  1
  Al  Al174  1  0.006204  0.327817  0.552484  1
  Al  Al175  1  0.040081  0.853395  0.588024  1
  Al  Al176  1  0.851010  0.314473  0.631504  1
  Al  Al177  1  0.757101  0.934749  0.581292  1
  Al  Al178  1  0.568546  0.394686  0.624497  1
  Al  Al179  1  0.039307  0.767919  0.631089  1
  Al  Al180  1  0.231866  0.302070  0.585079  1
  Al  Al181  1  0.867526  0.569984  0.627871  1
  Al  Al182  1  0.061742  0.103102  0.583680  1
  Al  Al183  1  0.975200  0.699280  0.558733  1
  Al  Al184  1  0.785631  0.162936  0.604987  1
  Al  Al185  1  0.207599  0.672994  0.592768  1
  Al  Al186  1  0.399309  0.207084  0.546953  1
  Al  Al187  1  0.642220  0.891351  0.638663  1
  Al  Al188  1  0.836999  0.424141  0.590846  1
  Al  Al189  1  0.980060  0.994013  0.603129  1
  Al  Al190  1  0.176015  0.527285  0.555170  1
  Al  Al191  1  0.132955  0.536220  0.608445  1
  Al  Al192  1  0.325969  0.070408  0.563628  1
  Al  Al193  1  0.035522  0.489715  0.664034  1
  Al  Al194  1  0.844065  0.953416  0.710052  1
  Al  Al195  1  0.312802  0.708382  0.643367  1
  Al  Al196  1  0.121245  0.186036  0.692187  1
  Al  Al197  1  0.928585  0.714199  0.690961  1
  Al  Al198  1  0.124785  0.257075  0.644828  1
  Al  Al199  1  0.152615  0.780364  0.676900  1
  Al  Al200  1  0.943678  0.293214  0.722857  1
  Al  Al201  1  0.875176  0.855234  0.672223  1
  Al  Al202  1  0.684068  0.319839  0.711699  1
  Al  Al203  1  0.178353  0.688683  0.715687  1
  Al  Al204  1  0.356549  0.234690  0.676645  1
  Al  Al205  1  0.010720  0.454188  0.714378  1
  Al  Al206  1  0.169163  0.039169  0.676676  1
  Al  Al207  1  0.091575  0.629393  0.651221  1
  Al  Al208  1  0.903305  0.095366  0.695774  1
  Al  Al209  1  0.322557  0.590761  0.681461  1
  Al  Al210  1  0.513506  0.137609  0.640145  1
  Al  Al211  1  0.763707  0.818075  0.721559  1
  Al  Al212  1  0.958991  0.356081  0.677398  1
  Al  Al213  1  0.101753  0.919956  0.692420  1
  Al  Al214  1  0.296273  0.457626  0.645500  1
  Al  Al215  1  0.261265  0.457705  0.698763  1
  Al  Al216  1  0.433899  0.999422  0.656836  1
  Al  Al217  1  0.535522  0.489715  0.664034  1
  Al  Al218  1  0.344065  0.953416  0.710052  1
  Al  Al219  1  0.812802  0.708382  0.643367  1
  Al  Al220  1  0.621245  0.186036  0.692187  1
  Al  Al221  1  0.428585  0.714199  0.690961  1
  Al  Al222  1  0.624785  0.257075  0.644828  1
  Al  Al223  1  0.652615  0.780364  0.676900  1
  Al  Al224  1  0.443678  0.293214  0.722857  1
  Al  Al225  1  0.375176  0.855234  0.672223  1
  Al  Al226  1  0.184068  0.319839  0.711699  1
  Al  Al227  1  0.678353  0.688683  0.715687  1
  Al  Al228  1  0.856549  0.234690  0.676645  1
  Al  Al229  1  0.510720  0.454188  0.714378  1
  Al  Al230  1  0.669163  0.039169  0.676676  1
  Al  Al231  1  0.591575  0.629393  0.651221  1
  Al  Al232  1  0.403305  0.095366  0.695774  1
  Al  Al233  1  0.822557  0.590761  0.681461  1
  Al  Al234  1  0.013506  0.137609  0.640145  1
  Al  Al235  1  0.263707  0.818075  0.721559  1
  Al  Al236  1  0.458991  0.356081  0.677398  1
  Al  Al237  1  0.601753  0.919956  0.692420  1
  Al  Al238  1  0.796273  0.457626  0.645500  1
  Al  Al239  1  0.761265  0.457705  0.698763  1
  Al  Al240  1  0.933899  0.999422  0.656836  1
  Fe  Fe241  1  0.608305  0.872834  0.333893  1
  Fe  Fe242  1  0.798727  0.416613  0.286336  1
  Fe  Fe243  1  0.535629  0.106954  0.349212  1
  Fe  Fe244  1  0.730199  0.656675  0.304163  1
  Fe  Fe245  1  0.108305  0.872834  0.333893  1
  Fe  Fe246  1  0.298727  0.416613  0.286336  1
  Fe  Fe247  1  0.035629  0.106954  0.349212  1
  Fe  Fe248  1  0.230199  0.656675  0.304163  1
  Fe  Fe249  1  0.229778  0.803707  0.423440  1
  Fe  Fe250  1  0.423977  0.338778  0.375927  1
  Fe  Fe251  1  0.147717  0.039776  0.442177  1
  Fe  Fe252  1  0.339800  0.572913  0.396265  1
  Fe  Fe253  1  0.729778  0.803707  0.423440  1
  Fe  Fe254  1  0.923977  0.338778  0.375927  1
  Fe  Fe255  1  0.647717  0.039776  0.442177  1
  Fe  Fe256  1  0.839800  0.572913  0.396265  1
  Fe  Fe257  1  0.848074  0.734233  0.514436  1
  Fe  Fe258  1  0.040182  0.268379  0.467773  1
  Fe  Fe259  1  0.767209  0.968556  0.534036  1
  Fe  Fe260  1  0.959317  0.502702  0.487374  1
  Fe  Fe261  1  0.348074  0.734233  0.514436  1
  Fe  Fe262  1  0.540182  0.268379  0.467773  1
  Fe  Fe263  1  0.267209  0.968556  0.534036  1
  Fe  Fe264  1  0.459317  0.502702  0.487374  1
  Fe  Fe265  1  0.467591  0.664022  0.605544  1
  Fe  Fe266  1  0.659674  0.197158  0.559632  1
  Fe  Fe267  1  0.383414  0.898157  0.625882  1
  Fe  Fe268  1  0.577613  0.433228  0.578369  1
  Fe  Fe269  1  0.967591  0.664022  0.605544  1
  Fe  Fe270  1  0.159674  0.197158  0.559632  1
  Fe  Fe271  1  0.883414  0.898157  0.625882  1
  Fe  Fe272  1  0.077613  0.433228  0.578369  1
  Fe  Fe273  1  0.077192  0.580259  0.697647  1
  Fe  Fe274  1  0.271762  0.129981  0.652597  1
  Fe  Fe275  1  0.008664  0.820322  0.715473  1
  Fe  Fe276  1  0.199086  0.364101  0.667916  1
  Fe  Fe277  1  0.577192  0.580259  0.697647  1
  Fe  Fe278  1  0.771762  0.129981  0.652597  1
  Fe  Fe279  1  0.508664  0.820322  0.715473  1
  Fe  Fe280  1  0.699086  0.364101  0.667916  1
