# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.44528085
_cell_length_b   10.83624079
_cell_length_c   53.75084418
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.07776560
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al6Fe
_chemical_formula_sum   'Al240 Fe40'
_cell_volume   9336.08567316
_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  0.009398  0.816987  0.354634  1
  Al  Al2  1  0.553221  0.961228  0.311487  1
  Al  Al3  1  0.665482  0.391270  0.292981  1
  Al  Al4  1  0.115100  0.264980  0.340597  1
  Al  Al5  1  0.056054  0.469121  0.310685  1
  Al  Al6  1  0.509536  0.318774  0.353871  1
  Al  Al7  1  0.619167  0.463661  0.338859  1
  Al  Al8  1  0.166964  0.610425  0.293209  1
  Al  Al9  1  0.993118  0.721798  0.308859  1
  Al  Al10  1  0.442797  0.572411  0.354085  1
  Al  Al11  1  0.762755  0.564699  0.286650  1
  Al  Al12  1  0.221483  0.414646  0.325863  1
  Al  Al13  1  0.594379  0.902064  0.359241  1
  Al  Al14  1  0.145911  0.055909  0.312773  1
  Al  Al15  1  0.012273  0.083965  0.349030  1
  Al  Al16  1  0.556130  0.232760  0.305186  1
  Al  Al17  1  0.730912  0.179701  0.322259  1
  Al  Al18  1  0.288898  0.323320  0.280610  1
  Al  Al19  1  0.999787  0.550875  0.359726  1
  Al  Al20  1  0.555734  0.699613  0.315284  1
  Al  Al21  1  0.674158  0.034096  0.286320  1
  Al  Al22  1  0.136044  0.826288  0.321790  1
  Al  Al23  1  0.723547  0.912489  0.328139  1
  Al  Al24  1  0.270631  0.065094  0.281127  1
  Al  Al25  1  0.834446  0.043277  0.288569  1
  Al  Al26  1  0.284159  0.895951  0.332075  1
  Al  Al27  1  0.933210  0.493775  0.273411  1
  Al  Al28  1  0.390432  0.339969  0.318688  1
  Al  Al29  1  0.783187  0.396756  0.330938  1
  Al  Al30  1  0.333239  0.543978  0.289865  1
  Al  Al31  1  0.891165  0.541201  0.318040  1
  Al  Al32  1  0.339647  0.391673  0.362838  1
  Al  Al33  1  0.718820  0.653694  0.332556  1
  Al  Al34  1  0.264105  0.800933  0.288350  1
  Al  Al35  1  0.946157  0.337598  0.348391  1
  Al  Al36  1  0.495933  0.488350  0.305910  1
  Al  Al37  1  0.871106  0.976890  0.336141  1
  Al  Al38  1  0.422127  0.132227  0.290506  1
  Al  Al39  1  0.837456  0.315362  0.284040  1
  Al  Al40  1  0.287364  0.161364  0.325300  1
  Al  Al41  1  0.003998  0.257165  0.300290  1
  Al  Al42  1  0.453770  0.107345  0.343125  1
  Al  Al43  1  0.829726  0.780108  0.294620  1
  Al  Al44  1  0.274017  0.629141  0.336185  1
  Al  Al45  1  0.861864  0.750426  0.345592  1
  Al  Al46  1  0.407074  0.902555  0.298505  1
  Al  Al47  1  0.996805  0.986034  0.303766  1
  Al  Al48  1  0.447089  0.842144  0.347504  1
  Al  Al49  1  0.905376  0.513129  0.446368  1
  Al  Al50  1  0.456980  0.665048  0.400477  1
  Al  Al51  1  0.562169  0.115826  0.386166  1
  Al  Al52  1  0.011957  0.962196  0.431907  1
  Al  Al53  1  0.956412  0.164914  0.400501  1
  Al  Al54  1  0.404851  0.014045  0.445975  1
  Al  Al55  1  0.512241  0.161698  0.431209  1
  Al  Al56  1  0.063578  0.313413  0.385414  1
  Al  Al57  1  0.891508  0.418021  0.399993  1
  Al  Al58  1  0.340111  0.267278  0.445346  1
  Al  Al59  1  0.670082  0.261357  0.371118  1
  Al  Al60  1  0.119357  0.110077  0.416846  1
  Al  Al61  1  0.491459  0.599779  0.449847  1
  Al  Al62  1  0.043463  0.751115  0.404080  1
  Al  Al63  1  0.908597  0.781221  0.440775  1
  Al  Al64  1  0.459325  0.932592  0.394668  1
  Al  Al65  1  0.627488  0.877441  0.412367  1
  Al  Al66  1  0.178824  0.028234  0.365775  1
  Al  Al67  1  0.896339  0.247579  0.451169  1
  Al  Al68  1  0.448120  0.399709  0.405245  1
  Al  Al69  1  0.583604  0.675091  0.367208  1
  Al  Al70  1  0.032905  0.524002  0.413335  1
  Al  Al71  1  0.618828  0.610420  0.416789  1
  Al  Al72  1  0.170884  0.763146  0.370871  1
  Al  Al73  1  0.732548  0.740047  0.378553  1
  Al  Al74  1  0.181005  0.589396  0.423393  1
  Al  Al75  1  0.838266  0.191215  0.363821  1
  Al  Al76  1  0.287286  0.038490  0.408811  1
  Al  Al77  1  0.680314  0.090112  0.423420  1
  Al  Al78  1  0.232011  0.242196  0.377373  1
  Al  Al79  1  0.787651  0.237451  0.408586  1
  Al  Al80  1  0.236836  0.085518  0.453912  1
  Al  Al81  1  0.615517  0.343602  0.422478  1
  Al  Al82  1  0.167192  0.495622  0.376916  1
  Al  Al83  1  0.843436  0.034571  0.439991  1
  Al  Al84  1  0.394696  0.186709  0.394021  1
  Al  Al85  1  0.767222  0.675517  0.427541  1
  Al  Al86  1  0.319720  0.827814  0.380886  1
  Al  Al87  1  0.735320  0.010156  0.372945  1
  Al  Al88  1  0.184466  0.856669  0.417504  1
  Al  Al89  1  0.903863  0.951344  0.389257  1
  Al  Al90  1  0.351882  0.800900  0.434749  1
  Al  Al91  1  0.723452  0.473838  0.382446  1
  Al  Al92  1  0.172270  0.323162  0.428142  1
  Al  Al93  1  0.756650  0.448497  0.436195  1
  Al  Al94  1  0.307960  0.601707  0.390450  1
  Al  Al95  1  0.895009  0.685315  0.394520  1
  Al  Al96  1  0.343314  0.534709  0.439720  1
  Al  Al97  1  0.801992  0.210319  0.537599  1
  Al  Al98  1  0.353764  0.361729  0.491886  1
  Al  Al99  1  0.459998  0.810876  0.477599  1
  Al  Al100  1  0.908512  0.659103  0.523357  1
  Al  Al101  1  0.853357  0.862055  0.491883  1
  Al  Al102  1  0.302114  0.710382  0.537432  1
  Al  Al103  1  0.409517  0.857903  0.522630  1
  Al  Al104  1  0.961003  0.009676  0.476872  1
  Al  Al105  1  0.788362  0.115363  0.491155  1
  Al  Al106  1  0.237285  0.963675  0.536758  1
  Al  Al107  1  0.567401  0.958397  0.462797  1
  Al  Al108  1  0.016159  0.806723  0.508346  1
  Al  Al109  1  0.388405  0.296130  0.541298  1
  Al  Al110  1  0.939953  0.447914  0.495648  1
  Al  Al111  1  0.805039  0.477779  0.532028  1
  Al  Al112  1  0.356845  0.629186  0.486214  1
  Al  Al113  1  0.524527  0.573281  0.503487  1
  Al  Al114  1  0.076304  0.724697  0.457712  1
  Al  Al115  1  0.793212  0.944082  0.542517  1
  Al  Al116  1  0.344989  0.095498  0.496743  1
  Al  Al117  1  0.481111  0.372649  0.458931  1
  Al  Al118  1  0.929562  0.220865  0.504581  1
  Al  Al119  1  0.515752  0.307049  0.508343  1
  Al  Al120  1  0.067523  0.458460  0.462630  1
  Al  Al121  1  0.629232  0.437757  0.469116  1
  Al  Al122  1  0.078079  0.285721  0.514678  1
  Al  Al123  1  0.735712  0.887123  0.454988  1
  Al  Al124  1  0.184560  0.734848  0.500349  1
  Al  Al125  1  0.577500  0.786303  0.514727  1
  Al  Al126  1  0.129344  0.937913  0.468862  1
  Al  Al127  1  0.684955  0.933931  0.499880  1
  Al  Al128  1  0.133804  0.781656  0.545241  1
  Al  Al129  1  0.512671  0.039593  0.514016  1
  Al  Al130  1  0.064477  0.190999  0.468201  1
  Al  Al131  1  0.740172  0.730865  0.531367  1
  Al  Al132  1  0.292016  0.882476  0.485502  1
  Al  Al133  1  0.663936  0.372258  0.518511  1
  Al  Al134  1  0.215856  0.523723  0.472671  1
  Al  Al135  1  0.632230  0.705103  0.463471  1
  Al  Al136  1  0.081154  0.553416  0.509074  1
  Al  Al137  1  0.800396  0.648966  0.480750  1
  Al  Al138  1  0.249069  0.497236  0.526218  1
  Al  Al139  1  0.620447  0.171543  0.474011  1
  Al  Al140  1  0.069120  0.019813  0.519480  1
  Al  Al141  1  0.653660  0.145056  0.527558  1
  Al  Al142  1  0.205579  0.296521  0.481718  1
  Al  Al143  1  0.791436  0.383058  0.485551  1
  Al  Al144  1  0.240283  0.231022  0.531113  1
  Al  Al145  1  0.698632  0.905633  0.629358  1
  Al  Al146  1  0.250688  0.058359  0.583440  1
  Al  Al147  1  0.357274  0.507081  0.569021  1
  Al  Al148  1  0.805938  0.355366  0.614815  1
  Al  Al149  1  0.750159  0.558702  0.583383  1
  Al  Al150  1  0.199433  0.407422  0.629111  1
  Al  Al151  1  0.307347  0.552952  0.614063  1
  Al  Al152  1  0.857558  0.706583  0.568322  1
  Al  Al153  1  0.685049  0.812110  0.582726  1
  Al  Al154  1  0.134195  0.658623  0.627284  1
  Al  Al155  1  0.464665  0.654733  0.554254  1
  Al  Al156  1  0.913104  0.503865  0.599728  1
  Al  Al157  1  0.285912  0.993688  0.633022  1
  Al  Al158  1  0.836611  0.144777  0.586895  1
  Al  Al159  1  0.702324  0.173157  0.623313  1
  Al  Al160  1  0.253998  0.325176  0.577752  1
  Al  Al161  1  0.421396  0.269070  0.594984  1
  Al  Al162  1  0.973177  0.421200  0.549060  1
  Al  Al163  1  0.690692  0.640545  0.634454  1
  Al  Al164  1  0.242028  0.791338  0.587862  1
  Al  Al165  1  0.378056  0.069000  0.550382  1
  Al  Al166  1  0.826053  0.917664  0.596149  1
  Al  Al167  1  0.412535  0.003731  0.599752  1
  Al  Al168  1  0.964140  0.155650  0.553862  1
  Al  Al169  1  0.526201  0.134070  0.560509  1
  Al  Al170  1  0.974507  0.983464  0.605710  1
  Al  Al171  1  0.632680  0.583260  0.546318  1
  Al  Al172  1  0.081865  0.431328  0.591643  1
  Al  Al173  1  0.474819  0.482069  0.606209  1
  Al  Al174  1  0.026079  0.634208  0.560238  1
  Al  Al175  1  0.582229  0.630289  0.591418  1
  Al  Al176  1  0.031250  0.477564  0.636408  1
  Al  Al177  1  0.410190  0.736187  0.605562  1
  Al  Al178  1  0.960918  0.887558  0.559454  1
  Al  Al179  1  0.637505  0.426583  0.622856  1
  Al  Al180  1  0.189202  0.578666  0.576809  1
  Al  Al181  1  0.561556  0.067072  0.609779  1
  Al  Al182  1  0.112865  0.220282  0.564034  1
  Al  Al183  1  0.529405  0.401501  0.554883  1
  Al  Al184  1  0.978008  0.250758  0.600236  1
  Al  Al185  1  0.697245  0.345616  0.572087  1
  Al  Al186  1  0.146063  0.194940  0.617783  1
  Al  Al187  1  0.517634  0.867879  0.565480  1
  Al  Al188  1  0.965653  0.717435  0.610972  1
  Al  Al189  1  0.549795  0.840965  0.619343  1
  Al  Al190  1  0.102293  0.993262  0.572688  1
  Al  Al191  1  0.688510  0.079383  0.576836  1
  Al  Al192  1  0.136968  0.928732  0.621676  1
  Al  Al193  1  0.598885  0.603685  0.719102  1
  Al  Al194  1  0.145969  0.756289  0.672091  1
  Al  Al195  1  0.250349  0.205118  0.661371  1
  Al  Al196  1  0.702552  0.058354  0.707020  1
  Al  Al197  1  0.648032  0.254133  0.674366  1
  Al  Al198  1  0.106760  0.104080  0.713580  1
  Al  Al199  1  0.204034  0.277509  0.707248  1
  Al  Al200  1  0.754415  0.403799  0.659632  1
  Al  Al201  1  0.582151  0.507415  0.674930  1
  Al  Al202  1  0.032059  0.353417  0.716189  1
  Al  Al203  1  0.359980  0.350005  0.646358  1
  Al  Al204  1  0.813462  0.199658  0.689544  1
  Al  Al205  1  0.195358  0.634683  0.713909  1
  Al  Al206  1  0.733471  0.842491  0.678439  1
  Al  Al207  1  0.605411  0.867846  0.711879  1
  Al  Al208  1  0.150695  0.015085  0.667673  1
  Al  Al209  1  0.313781  0.969166  0.684945  1
  Al  Al210  1  0.869729  0.117904  0.640503  1
  Al  Al211  1  0.580617  0.345459  0.719620  1
  Al  Al212  1  0.138603  0.489078  0.677970  1
  Al  Al213  1  0.275136  0.766715  0.640988  1
  Al  Al214  1  0.723605  0.612870  0.687456  1
  Al  Al215  1  0.316295  0.707551  0.688742  1
  Al  Al216  1  0.860117  0.851792  0.645595  1
  Al  Al217  1  0.422427  0.826635  0.652725  1
  Al  Al218  1  0.872711  0.682745  0.696463  1
  Al  Al219  1  0.529868  0.277106  0.637392  1
  Al  Al220  1  0.978350  0.127578  0.682190  1
  Al  Al221  1  0.373583  0.180429  0.694319  1
  Al  Al222  1  0.923358  0.331181  0.651838  1
  Al  Al223  1  0.479084  0.328809  0.681542  1
  Al  Al224  1  0.936305  0.175004  0.726818  1
  Al  Al225  1  0.313386  0.436019  0.695043  1
  Al  Al226  1  0.857243  0.584814  0.651199  1
  Al  Al227  1  0.536277  0.124800  0.710364  1
  Al  Al228  1  0.086328  0.272023  0.669291  1
  Al  Al229  1  0.462441  0.766224  0.701724  1
  Al  Al230  1  0.007652  0.918353  0.654637  1
  Al  Al231  1  0.426719  0.096368  0.646144  1
  Al  Al232  1  0.876398  0.946981  0.691371  1
  Al  Al233  1  0.595499  0.039638  0.664045  1
  Al  Al234  1  0.039790  0.888671  0.705609  1
  Al  Al235  1  0.415746  0.561433  0.657104  1
  Al  Al236  1  0.865517  0.411613  0.699939  1
  Al  Al237  1  0.447388  0.536552  0.709723  1
  Al  Al238  1  0.998410  0.691889  0.664088  1
  Al  Al239  1  0.585356  0.772828  0.668155  1
  Al  Al240  1  0.035070  0.625502  0.711660  1
  Fe  Fe241  1  0.613384  0.105978  0.341970  1
  Fe  Fe242  1  0.160305  0.267005  0.296359  1
  Fe  Fe243  1  0.671242  0.790875  0.294044  1
  Fe  Fe244  1  0.117371  0.620499  0.338356  1
  Fe  Fe245  1  0.888137  0.183703  0.320605  1
  Fe  Fe246  1  0.441488  0.346233  0.274949  1
  Fe  Fe247  1  0.841302  0.543716  0.361802  1
  Fe  Fe248  1  0.393905  0.698874  0.315934  1
  Fe  Fe249  1  0.509846  0.807033  0.433284  1
  Fe  Fe250  1  0.061868  0.958502  0.387568  1
  Fe  Fe251  1  0.565919  0.468249  0.383581  1
  Fe  Fe252  1  0.014218  0.316676  0.429799  1
  Fe  Fe253  1  0.786227  0.882399  0.410878  1
  Fe  Fe254  1  0.336917  0.036560  0.364447  1
  Fe  Fe255  1  0.737952  0.241483  0.452770  1
  Fe  Fe256  1  0.289793  0.393575  0.406945  1
  Fe  Fe257  1  0.407064  0.503398  0.524736  1
  Fe  Fe258  1  0.958681  0.654966  0.479099  1
  Fe  Fe259  1  0.462452  0.165380  0.475493  1
  Fe  Fe260  1  0.910834  0.013812  0.521130  1
  Fe  Fe261  1  0.682562  0.579438  0.501970  1
  Fe  Fe262  1  0.234428  0.731086  0.456077  1
  Fe  Fe263  1  0.635088  0.937693  0.544152  1
  Fe  Fe264  1  0.186953  0.089341  0.498259  1
  Fe  Fe265  1  0.303597  0.200529  0.616648  1
  Fe  Fe266  1  0.855298  0.352103  0.570430  1
  Fe  Fe267  1  0.359670  0.861746  0.566946  1
  Fe  Fe268  1  0.807648  0.710277  0.612661  1
  Fe  Fe269  1  0.579723  0.275204  0.593284  1
  Fe  Fe270  1  0.131564  0.427296  0.547459  1
  Fe  Fe271  1  0.532598  0.632219  0.635783  1
  Fe  Fe272  1  0.083288  0.786380  0.589352  1
  Fe  Fe273  1  0.198273  0.877903  0.706185  1
  Fe  Fe274  1  0.752145  0.048280  0.661873  1
  Fe  Fe275  1  0.256132  0.562801  0.658259  1
  Fe  Fe276  1  0.709211  0.401773  0.703871  1
  Fe  Fe277  1  0.475610  0.969905  0.684295  1
  Fe  Fe278  1  0.028214  0.125063  0.638427  1
  Fe  Fe279  1  0.428028  0.322546  0.725280  1
  Fe  Fe280  1  0.981379  0.485075  0.679624  1
