# generated using pymatgen
data_Al6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34069764
_cell_length_b   24.50084534
_cell_length_c   57.50861528
_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   8934.10441376
_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  0.502143  0.630344  0.392731  1
  Al  Al2  1  0.508447  0.919833  0.343916  1
  Al  Al3  1  0.504732  0.208244  0.298368  1
  Al  Al4  1  0.153099  0.340758  0.373050  1
  Al  Al5  1  0.142503  0.632204  0.327086  1
  Al  Al6  1  0.148392  0.050890  0.421510  1
  Al  Al7  1  0.465017  0.563416  0.321286  1
  Al  Al8  1  0.499296  0.985500  0.415862  1
  Al  Al9  1  0.501813  0.274110  0.368602  1
  Al  Al10  1  0.855903  0.312049  0.346105  1
  Al  Al11  1  0.822852  0.601444  0.302849  1
  Al  Al12  1  0.853777  0.024198  0.392861  1
  Al  Al13  1  0.713658  0.490100  0.301321  1
  Al  Al14  1  0.691609  0.914345  0.386335  1
  Al  Al15  1  0.701562  0.203275  0.339095  1
  Al  Al16  1  0.511893  0.378230  0.351487  1
  Al  Al17  1  0.497437  0.670648  0.304642  1
  Al  Al18  1  0.507459  0.090037  0.398490  1
  Al  Al19  1  0.147871  0.380177  0.416985  1
  Al  Al20  1  0.143695  0.668958  0.369889  1
  Al  Al21  1  0.136329  0.950893  0.321488  1
  Al  Al22  1  0.807023  0.592746  0.354252  1
  Al  Al23  1  0.792557  0.879754  0.310744  1
  Al  Al24  1  0.809506  0.306048  0.404513  1
  Al  Al25  1  0.808882  0.414345  0.386335  1
  Al  Al26  1  0.798930  0.703275  0.339095  1
  Al  Al27  1  0.786834  0.990100  0.301321  1
  Al  Al28  1  0.191818  0.660853  0.428309  1
  Al  Al29  1  0.190797  0.950178  0.379255  1
  Al  Al30  1  0.198813  0.238722  0.334036  1
  Al  Al31  1  0.870499  0.273394  0.302940  1
  Al  Al32  1  0.850841  0.696090  0.398247  1
  Al  Al33  1  0.847998  0.985554  0.348816  1
  Al  Al34  1  0.498676  0.445592  0.422476  1
  Al  Al35  1  0.495936  0.734606  0.375411  1
  Al  Al36  1  0.457252  0.022499  0.327108  1
  Al  Al37  1  0.001196  0.485500  0.415862  1
  Al  Al38  1  0.998679  0.774110  0.368602  1
  Al  Al39  1  0.035475  0.063416  0.321286  1
  Al  Al40  1  0.652493  0.485554  0.348816  1
  Al  Al41  1  0.629993  0.773394  0.302940  1
  Al  Al42  1  0.649651  0.196090  0.398247  1
  Al  Al43  1  0.992045  0.419833  0.343916  1
  Al  Al44  1  0.995760  0.708244  0.298368  1
  Al  Al45  1  0.998349  0.130344  0.392731  1
  Al  Al46  1  0.364163  0.450893  0.321488  1
  Al  Al47  1  0.352620  0.880177  0.416985  1
  Al  Al48  1  0.356797  0.168958  0.369889  1
  Al  Al49  1  0.192328  0.345431  0.318595  1
  Al  Al50  1  0.192146  0.770056  0.410682  1
  Al  Al51  1  0.193600  0.059702  0.363901  1
  Al  Al52  1  0.043240  0.522499  0.327108  1
  Al  Al53  1  0.001816  0.945592  0.422476  1
  Al  Al54  1  0.004556  0.234606  0.375411  1
  Al  Al55  1  0.646715  0.524198  0.392861  1
  Al  Al56  1  0.644588  0.812049  0.346105  1
  Al  Al57  1  0.677639  0.101444  0.302849  1
  Al  Al58  1  0.309695  0.450178  0.379255  1
  Al  Al59  1  0.301678  0.738722  0.334036  1
  Al  Al60  1  0.308674  0.160853  0.428309  1
  Al  Al61  1  0.306892  0.559702  0.363901  1
  Al  Al62  1  0.308164  0.845431  0.318595  1
  Al  Al63  1  0.308345  0.270056  0.410682  1
  Al  Al64  1  0.707935  0.379754  0.310744  1
  Al  Al65  1  0.690986  0.806048  0.404513  1
  Al  Al66  1  0.693468  0.092746  0.354252  1
  Al  Al67  1  0.352100  0.550890  0.421510  1
  Al  Al68  1  0.347393  0.840758  0.373050  1
  Al  Al69  1  0.357989  0.132204  0.327086  1
  Al  Al70  1  0.993033  0.590037  0.398490  1
  Al  Al71  1  0.988598  0.878230  0.351487  1
  Al  Al72  1  0.003055  0.170648  0.304642  1
  Al  Al73  1  0.500585  0.761879  0.536045  1
  Al  Al74  1  0.501112  0.051128  0.487956  1
  Al  Al75  1  0.500735  0.341013  0.440188  1
  Al  Al76  1  0.147636  0.471908  0.517592  1
  Al  Al77  1  0.147344  0.761580  0.469705  1
  Al  Al78  1  0.149105  0.182142  0.565202  1
  Al  Al79  1  0.498162  0.696102  0.464292  1
  Al  Al80  1  0.500866  0.116606  0.559843  1
  Al  Al81  1  0.500213  0.406640  0.512081  1
  Al  Al82  1  0.852856  0.445862  0.489149  1
  Al  Al83  1  0.851387  0.735628  0.441540  1
  Al  Al84  1  0.853148  0.156190  0.537037  1
  Al  Al85  1  0.692415  0.625237  0.434868  1
  Al  Al86  1  0.693720  0.045837  0.530302  1
  Al  Al87  1  0.693898  0.335777  0.482458  1
  Al  Al88  1  0.500279  0.511130  0.494661  1
  Al  Al89  1  0.499625  0.801164  0.446898  1
  Al  Al90  1  0.502330  0.221668  0.542449  1
  Al  Al91  1  0.147473  0.511386  0.561248  1
  Al  Al92  1  0.147043  0.801289  0.513217  1
  Al  Al93  1  0.148622  0.090393  0.465160  1
  Al  Al94  1  0.806384  0.726870  0.500250  1
  Al  Al95  1  0.807636  0.016332  0.452205  1
  Al  Al96  1  0.807446  0.437499  0.548427  1
  Al  Al97  1  0.806772  0.545837  0.530302  1
  Al  Al98  1  0.806594  0.835777  0.482458  1
  Al  Al99  1  0.808077  0.125237  0.434868  1
  Al  Al100  1  0.192415  0.792533  0.571874  1
  Al  Al101  1  0.193898  0.081993  0.524283  1
  Al  Al102  1  0.193720  0.371934  0.476439  1
  Al  Al103  1  0.853019  0.406384  0.445494  1
  Al  Al104  1  0.851870  0.827377  0.541581  1
  Al  Al105  1  0.853448  0.116481  0.493524  1
  Al  Al106  1  0.499757  0.576757  0.566553  1
  Al  Al107  1  0.499380  0.866642  0.518786  1
  Al  Al108  1  0.499907  0.155891  0.470696  1
  Al  Al109  1  0.999625  0.616606  0.559843  1
  Al  Al110  1  0.000279  0.906640  0.512081  1
  Al  Al111  1  0.002330  0.196102  0.464292  1
  Al  Al112  1  0.647043  0.616481  0.493524  1
  Al  Al113  1  0.647473  0.906384  0.445494  1
  Al  Al114  1  0.648622  0.327377  0.541581  1
  Al  Al115  1  0.999380  0.551128  0.487956  1
  Al  Al116  1  0.999757  0.841013  0.440188  1
  Al  Al117  1  0.999907  0.261879  0.536045  1
  Al  Al118  1  0.351870  0.590393  0.465160  1
  Al  Al119  1  0.353019  0.011386  0.561248  1
  Al  Al120  1  0.353448  0.301289  0.513217  1
  Al  Al121  1  0.193046  0.480271  0.458314  1
  Al  Al122  1  0.192856  0.901439  0.554536  1
  Al  Al123  1  0.194108  0.190900  0.506492  1
  Al  Al124  1  0.000585  0.655891  0.470696  1
  Al  Al125  1  0.000735  0.076757  0.566553  1
  Al  Al126  1  0.001112  0.366642  0.518786  1
  Al  Al127  1  0.647344  0.656190  0.537037  1
  Al  Al128  1  0.647636  0.945862  0.489149  1
  Al  Al129  1  0.649105  0.235628  0.441540  1
  Al  Al130  1  0.306594  0.581993  0.524283  1
  Al  Al131  1  0.306772  0.871934  0.476439  1
  Al  Al132  1  0.308077  0.292533  0.571874  1
  Al  Al133  1  0.306384  0.690900  0.506492  1
  Al  Al134  1  0.307446  0.980271  0.458314  1
  Al  Al135  1  0.307636  0.401439  0.554536  1
  Al  Al136  1  0.692856  0.516332  0.452205  1
  Al  Al137  1  0.693046  0.937499  0.548427  1
  Al  Al138  1  0.694108  0.226870  0.500250  1
  Al  Al139  1  0.351387  0.682142  0.565202  1
  Al  Al140  1  0.352856  0.971908  0.517592  1
  Al  Al141  1  0.353148  0.261580  0.469705  1
  Al  Al142  1  0.998162  0.721668  0.542449  1
  Al  Al143  1  1.000213  0.011130  0.494661  1
  Al  Al144  1  0.000866  0.301164  0.446898  1
  Al  Al145  1  0.543240  0.895271  0.679633  1
  Al  Al146  1  0.504556  0.183164  0.631330  1
  Al  Al147  1  0.501816  0.472178  0.584266  1
  Al  Al148  1  0.144588  0.605722  0.660637  1
  Al  Al149  1  0.146715  0.893572  0.613880  1
  Al  Al150  1  0.177639  0.316327  0.703892  1
  Al  Al151  1  0.493033  0.827734  0.608251  1
  Al  Al152  1  0.503055  0.247122  0.702099  1
  Al  Al153  1  0.488598  0.539540  0.655255  1
  Al  Al154  1  0.847393  0.577012  0.633691  1
  Al  Al155  1  0.852100  0.866881  0.585231  1
  Al  Al156  1  0.857989  0.285566  0.679656  1
  Al  Al157  1  0.691818  0.756918  0.578432  1
  Al  Al158  1  0.698813  0.179049  0.672706  1
  Al  Al159  1  0.690797  0.467592  0.627486  1
  Al  Al160  1  0.498679  0.643660  0.638139  1
  Al  Al161  1  0.501196  0.932270  0.590879  1
  Al  Al162  1  0.535475  0.354354  0.685455  1
  Al  Al163  1  0.129993  0.644376  0.703801  1
  Al  Al164  1  0.152493  0.932216  0.657926  1
  Al  Al165  1  0.149651  0.221680  0.608494  1
  Al  Al166  1  0.806892  0.858068  0.642840  1
  Al  Al167  1  0.808345  0.147714  0.596059  1
  Al  Al168  1  0.808164  0.572339  0.688146  1
  Al  Al169  1  0.801678  0.679049  0.672706  1
  Al  Al170  1  0.809695  0.967592  0.627486  1
  Al  Al171  1  0.808674  0.256918  0.578432  1
  Al  Al172  1  0.213658  0.927670  0.705420  1
  Al  Al173  1  0.201562  0.214496  0.667647  1
  Al  Al174  1  0.191609  0.503425  0.620407  1
  Al  Al175  1  0.852620  0.537593  0.589757  1
  Al  Al176  1  0.864163  0.966877  0.685253  1
  Al  Al177  1  0.856797  0.248812  0.636852  1
  Al  Al178  1  0.495760  0.709527  0.708374  1
  Al  Al179  1  0.492045  0.997937  0.662826  1
  Al  Al180  1  0.498349  0.287427  0.614010  1
  Al  Al181  1  0.997437  0.747122  0.702099  1
  Al  Al182  1  0.011893  0.039540  0.655255  1
  Al  Al183  1  0.007459  0.327734  0.608251  1
  Al  Al184  1  0.643695  0.748812  0.636852  1
  Al  Al185  1  0.647871  0.037593  0.589757  1
  Al  Al186  1  0.636329  0.466877  0.685253  1
  Al  Al187  1  0.995936  0.683164  0.631330  1
  Al  Al188  1  0.998676  0.972178  0.584266  1
  Al  Al189  1  0.957252  0.395271  0.679633  1
  Al  Al190  1  0.350841  0.721680  0.608494  1
  Al  Al191  1  0.370499  0.144376  0.703801  1
  Al  Al192  1  0.347998  0.432216  0.657926  1
  Al  Al193  1  0.190986  0.611723  0.602228  1
  Al  Al194  1  0.207935  0.038016  0.695998  1
  Al  Al195  1  0.193468  0.325024  0.652490  1
  Al  Al196  1  0.002143  0.787427  0.614010  1
  Al  Al197  1  0.004732  0.209527  0.708374  1
  Al  Al198  1  0.008447  0.497937  0.662826  1
  Al  Al199  1  0.642503  0.785566  0.679656  1
  Al  Al200  1  0.653099  0.077012  0.633691  1
  Al  Al201  1  0.648392  0.366881  0.585231  1
  Al  Al202  1  0.298930  0.714496  0.667647  1
  Al  Al203  1  0.308882  0.003425  0.620407  1
  Al  Al204  1  0.286834  0.427670  0.705420  1
  Al  Al205  1  0.307023  0.825024  0.652490  1
  Al  Al206  1  0.309506  0.111723  0.602228  1
  Al  Al207  1  0.292557  0.538016  0.695998  1
  Al  Al208  1  0.692146  0.647714  0.596059  1
  Al  Al209  1  0.692328  0.072339  0.688146  1
  Al  Al210  1  0.693600  0.358068  0.642840  1
  Al  Al211  1  0.322852  0.816327  0.703892  1
  Al  Al212  1  0.355903  0.105722  0.660637  1
  Al  Al213  1  0.353777  0.393572  0.613880  1
  Al  Al214  1  0.965017  0.854354  0.685455  1
  Al  Al215  1  0.001813  0.143660  0.638139  1
  Al  Al216  1  0.999296  0.432270  0.590879  1
  Fe  Fe217  1  0.483041  0.360132  0.395592  1
  Fe  Fe218  1  0.480170  0.648645  0.348588  1
  Fe  Fe219  1  0.462648  0.933208  0.300196  1
  Fe  Fe220  1  0.525689  0.292175  0.324723  1
  Fe  Fe221  1  0.516879  0.715795  0.419909  1
  Fe  Fe222  1  0.518826  0.004569  0.371245  1
  Fe  Fe223  1  0.981666  0.504569  0.371245  1
  Fe  Fe224  1  0.974802  0.792175  0.324723  1
  Fe  Fe225  1  0.983613  0.215795  0.419909  1
  Fe  Fe226  1  0.037844  0.433208  0.300196  1
  Fe  Fe227  1  0.017451  0.860132  0.395592  1
  Fe  Fe228  1  0.020322  0.148645  0.348588  1
  Fe  Fe229  1  0.481349  0.491637  0.539425  1
  Fe  Fe230  1  0.481063  0.781457  0.491488  1
  Fe  Fe231  1  0.482192  0.070622  0.443258  1
  Fe  Fe232  1  0.519143  0.426133  0.467317  1
  Fe  Fe233  1  0.518300  0.847148  0.563483  1
  Fe  Fe234  1  0.519428  0.136313  0.515253  1
  Fe  Fe235  1  0.981063  0.636313  0.515253  1
  Fe  Fe236  1  0.981349  0.926133  0.467317  1
  Fe  Fe237  1  0.982192  0.347148  0.563483  1
  Fe  Fe238  1  0.018300  0.570622  0.443258  1
  Fe  Fe239  1  0.019143  0.991637  0.539425  1
  Fe  Fe240  1  0.019428  0.281457  0.491488  1
  Fe  Fe241  1  0.474802  0.625595  0.682018  1
  Fe  Fe242  1  0.481666  0.913201  0.635496  1
  Fe  Fe243  1  0.483613  0.201975  0.586832  1
  Fe  Fe244  1  0.517451  0.557638  0.611150  1
  Fe  Fe245  1  0.537844  0.984563  0.706545  1
  Fe  Fe246  1  0.520322  0.269125  0.658153  1
  Fe  Fe247  1  0.980170  0.769125  0.658153  1
  Fe  Fe248  1  0.983041  0.057638  0.611150  1
  Fe  Fe249  1  0.962648  0.484563  0.706545  1
  Fe  Fe250  1  0.016879  0.701975  0.586832  1
  Fe  Fe251  1  0.025689  0.125595  0.682018  1
  Fe  Fe252  1  0.018826  0.413201  0.635496  1
