# generated using pymatgen
data_Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   28.14857949
_cell_length_b   16.64108963
_cell_length_c   49.06857249
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.91193832
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Fe
_chemical_formula_sum   'Al540 Fe180'
_cell_volume   22817.8023511
_cell_formula_units_Z   180
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  0.206126  0.380525  0.363521  1
  Al  Al2  1  0.190731  0.176904  0.307853  1
  Al  Al3  1  0.368749  0.115277  0.335562  1
  Al  Al4  1  0.539459  0.047191  0.363521  1
  Al  Al5  1  0.202082  0.781944  0.335562  1
  Al  Al6  1  0.372793  0.713858  0.363521  1
  Al  Al7  1  0.357398  0.510238  0.307853  1
  Al  Al8  1  0.535416  0.448610  0.335562  1
  Al  Al9  1  0.706126  0.380525  0.363521  1
  Al  Al10  1  0.690731  0.176904  0.307853  1
  Al  Al11  1  0.868749  0.115277  0.335562  1
  Al  Al12  1  0.039459  0.047191  0.363521  1
  Al  Al13  1  0.524065  0.843571  0.307853  1
  Al  Al14  1  0.702082  0.781944  0.335562  1
  Al  Al15  1  0.872793  0.713858  0.363521  1
  Al  Al16  1  0.857398  0.510238  0.307853  1
  Al  Al17  1  0.035416  0.448610  0.335562  1
  Al  Al18  1  0.024065  0.843571  0.307853  1
  Al  Al19  1  0.119991  0.412626  0.349968  1
  Al  Al20  1  0.100329  0.204450  0.295392  1
  Al  Al21  1  0.281214  0.149964  0.321501  1
  Al  Al22  1  0.453325  0.079293  0.349968  1
  Al  Al23  1  0.114548  0.816631  0.321501  1
  Al  Al24  1  0.286658  0.745959  0.349968  1
  Al  Al25  1  0.266996  0.537784  0.295392  1
  Al  Al26  1  0.447881  0.483298  0.321501  1
  Al  Al27  1  0.619991  0.412626  0.349968  1
  Al  Al28  1  0.600329  0.204450  0.295392  1
  Al  Al29  1  0.781214  0.149964  0.321501  1
  Al  Al30  1  0.953325  0.079293  0.349968  1
  Al  Al31  1  0.433662  0.871117  0.295392  1
  Al  Al32  1  0.614548  0.816631  0.321501  1
  Al  Al33  1  0.786658  0.745959  0.349968  1
  Al  Al34  1  0.766996  0.537784  0.295392  1
  Al  Al35  1  0.947881  0.483298  0.321501  1
  Al  Al36  1  0.933662  0.871117  0.295392  1
  Al  Al37  1  0.113786  0.522539  0.306913  1
  Al  Al38  1  0.117150  0.116332  0.336649  1
  Al  Al39  1  0.292154  0.053882  0.363510  1
  Al  Al40  1  0.447120  0.189206  0.306913  1
  Al  Al41  1  0.125487  0.720549  0.363510  1
  Al  Al42  1  0.280453  0.855872  0.306913  1
  Al  Al43  1  0.283816  0.449666  0.336649  1
  Al  Al44  1  0.458820  0.387216  0.363510  1
  Al  Al45  1  0.613786  0.522539  0.306913  1
  Al  Al46  1  0.617150  0.116332  0.336649  1
  Al  Al47  1  0.792154  0.053882  0.363510  1
  Al  Al48  1  0.947120  0.189206  0.306913  1
  Al  Al49  1  0.450483  0.782999  0.336649  1
  Al  Al50  1  0.625487  0.720549  0.363510  1
  Al  Al51  1  0.780453  0.855872  0.306913  1
  Al  Al52  1  0.783816  0.449666  0.336649  1
  Al  Al53  1  0.958820  0.387216  0.363510  1
  Al  Al54  1  0.950483  0.782999  0.336649  1
  Al  Al55  1  0.134589  0.367266  0.299669  1
  Al  Al56  1  0.144758  0.974994  0.325238  1
  Al  Al57  1  0.316583  0.903688  0.355262  1
  Al  Al58  1  0.467922  0.033933  0.299669  1
  Al  Al59  1  0.149916  0.570355  0.355262  1
  Al  Al60  1  0.301255  0.700600  0.299669  1
  Al  Al61  1  0.311425  0.308328  0.325238  1
  Al  Al62  1  0.483249  0.237022  0.355262  1
  Al  Al63  1  0.634589  0.367266  0.299669  1
  Al  Al64  1  0.644758  0.974994  0.325238  1
  Al  Al65  1  0.816583  0.903688  0.355262  1
  Al  Al66  1  0.967922  0.033933  0.299669  1
  Al  Al67  1  0.478091  0.641661  0.325238  1
  Al  Al68  1  0.649916  0.570355  0.355262  1
  Al  Al69  1  0.801255  0.700600  0.299669  1
  Al  Al70  1  0.811425  0.308328  0.325238  1
  Al  Al71  1  0.983249  0.237022  0.355262  1
  Al  Al72  1  0.978091  0.641661  0.325238  1
  Al  Al73  1  0.221841  0.339607  0.311104  1
  Al  Al74  1  0.229437  0.940225  0.341528  1
  Al  Al75  1  0.402984  0.874165  0.367627  1
  Al  Al76  1  0.555174  0.006274  0.311104  1
  Al  Al77  1  0.236317  0.540832  0.367627  1
  Al  Al78  1  0.388508  0.672941  0.311104  1
  Al  Al79  1  0.396103  0.273559  0.341528  1
  Al  Al80  1  0.569651  0.207499  0.367627  1
  Al  Al81  1  0.721841  0.339607  0.311104  1
  Al  Al82  1  0.729437  0.940225  0.341528  1
  Al  Al83  1  0.902984  0.874165  0.367627  1
  Al  Al84  1  0.055174  0.006274  0.311104  1
  Al  Al85  1  0.562770  0.606892  0.341528  1
  Al  Al86  1  0.736317  0.540832  0.367627  1
  Al  Al87  1  0.888508  0.672941  0.311104  1
  Al  Al88  1  0.896103  0.273559  0.341528  1
  Al  Al89  1  0.069651  0.207499  0.367627  1
  Al  Al90  1  0.062770  0.606892  0.341528  1
  Al  Al91  1  0.233166  0.237277  0.353483  1
  Al  Al92  1  0.224445  0.032118  0.298696  1
  Al  Al93  1  0.389926  0.967438  0.325715  1
  Al  Al94  1  0.566499  0.903944  0.353483  1
  Al  Al95  1  0.223259  0.634105  0.325715  1
  Al  Al96  1  0.399833  0.570611  0.353483  1
  Al  Al97  1  0.391112  0.365452  0.298696  1
  Al  Al98  1  0.556592  0.300771  0.325715  1
  Al  Al99  1  0.733166  0.237277  0.353483  1
  Al  Al100  1  0.724445  0.032118  0.298696  1
  Al  Al101  1  0.889926  0.967438  0.325715  1
  Al  Al102  1  0.066499  0.903944  0.353483  1
  Al  Al103  1  0.557779  0.698785  0.298696  1
  Al  Al104  1  0.723259  0.634105  0.325715  1
  Al  Al105  1  0.899833  0.570611  0.353483  1
  Al  Al106  1  0.891112  0.365452  0.298696  1
  Al  Al107  1  0.056592  0.300771  0.325715  1
  Al  Al108  1  0.057779  0.698785  0.298696  1
  Al  Al109  1  0.228741  0.185203  0.446988  1
  Al  Al110  1  0.214539  0.984303  0.391797  1
  Al  Al111  1  0.387712  0.916687  0.419201  1
  Al  Al112  1  0.562074  0.851870  0.446988  1
  Al  Al113  1  0.221045  0.583354  0.419201  1
  Al  Al114  1  0.395408  0.518536  0.446988  1
  Al  Al115  1  0.381205  0.317636  0.391797  1
  Al  Al116  1  0.554379  0.250021  0.419201  1
  Al  Al117  1  0.728741  0.185203  0.446988  1
  Al  Al118  1  0.714539  0.984303  0.391797  1
  Al  Al119  1  0.887712  0.916687  0.419201  1
  Al  Al120  1  0.062074  0.851870  0.446988  1
  Al  Al121  1  0.547872  0.650970  0.391797  1
  Al  Al122  1  0.721045  0.583354  0.419201  1
  Al  Al123  1  0.895408  0.518536  0.446988  1
  Al  Al124  1  0.881205  0.317636  0.391797  1
  Al  Al125  1  0.054379  0.250021  0.419201  1
  Al  Al126  1  0.047872  0.650970  0.391797  1
  Al  Al127  1  0.143093  0.216758  0.433291  1
  Al  Al128  1  0.129019  0.014448  0.377333  1
  Al  Al129  1  0.302192  0.949494  0.405775  1
  Al  Al130  1  0.476426  0.883424  0.433291  1
  Al  Al131  1  0.135525  0.616160  0.405775  1
  Al  Al132  1  0.309760  0.550091  0.433291  1
  Al  Al133  1  0.295685  0.347782  0.377333  1
  Al  Al134  1  0.468859  0.282827  0.405775  1
  Al  Al135  1  0.643093  0.216758  0.433291  1
  Al  Al136  1  0.629019  0.014448  0.377333  1
  Al  Al137  1  0.802192  0.949494  0.405775  1
  Al  Al138  1  0.976426  0.883424  0.433291  1
  Al  Al139  1  0.462352  0.681115  0.377333  1
  Al  Al140  1  0.635525  0.616160  0.405775  1
  Al  Al141  1  0.809760  0.550091  0.433291  1
  Al  Al142  1  0.795685  0.347782  0.377333  1
  Al  Al143  1  0.968859  0.282827  0.405775  1
  Al  Al144  1  0.962352  0.681115  0.377333  1
  Al  Al145  1  0.131766  0.317783  0.391149  1
  Al  Al146  1  0.139736  0.919195  0.418822  1
  Al  Al147  1  0.313164  0.852453  0.446748  1
  Al  Al148  1  0.465100  0.984449  0.391149  1
  Al  Al149  1  0.146497  0.519120  0.446748  1
  Al  Al150  1  0.298433  0.651116  0.391149  1
  Al  Al151  1  0.306402  0.252529  0.418822  1
  Al  Al152  1  0.479830  0.185786  0.446748  1
  Al  Al153  1  0.631766  0.317783  0.391149  1
  Al  Al154  1  0.639736  0.919195  0.418822  1
  Al  Al155  1  0.813164  0.852453  0.446748  1
  Al  Al156  1  0.965100  0.984449  0.391149  1
  Al  Al157  1  0.473069  0.585862  0.418822  1
  Al  Al158  1  0.646497  0.519120  0.446748  1
  Al  Al159  1  0.798433  0.651116  0.391149  1
  Al  Al160  1  0.806402  0.252529  0.418822  1
  Al  Al161  1  0.979830  0.185786  0.446748  1
  Al  Al162  1  0.973069  0.585862  0.418822  1
  Al  Al163  1  0.158756  0.173030  0.381873  1
  Al  Al164  1  0.165006  0.773081  0.410158  1
  Al  Al165  1  0.339263  0.706958  0.437650  1
  Al  Al166  1  0.492089  0.839697  0.381873  1
  Al  Al167  1  0.172596  0.373624  0.437650  1
  Al  Al168  1  0.325423  0.506364  0.381873  1
  Al  Al169  1  0.331673  0.106414  0.410158  1
  Al  Al170  1  0.505930  0.040291  0.437650  1
  Al  Al171  1  0.658756  0.173030  0.381873  1
  Al  Al172  1  0.665006  0.773081  0.410158  1
  Al  Al173  1  0.839263  0.706958  0.437650  1
  Al  Al174  1  0.992089  0.839697  0.381873  1
  Al  Al175  1  0.498340  0.439747  0.410158  1
  Al  Al176  1  0.672596  0.373624  0.437650  1
  Al  Al177  1  0.825423  0.506364  0.381873  1
  Al  Al178  1  0.831673  0.106414  0.410158  1
  Al  Al179  1  0.005930  0.040291  0.437650  1
  Al  Al180  1  0.998340  0.439747  0.410158  1
  Al  Al181  1  0.243804  0.141861  0.395492  1
  Al  Al182  1  0.250452  0.740410  0.423639  1
  Al  Al183  1  0.424680  0.675290  0.451292  1
  Al  Al184  1  0.577137  0.808527  0.395492  1
  Al  Al185  1  0.258013  0.341957  0.451292  1
  Al  Al186  1  0.410471  0.475194  0.395492  1
  Al  Al187  1  0.417119  0.073743  0.423639  1
  Al  Al188  1  0.591347  0.008623  0.451292  1
  Al  Al189  1  0.743804  0.141861  0.395492  1
  Al  Al190  1  0.750452  0.740410  0.423639  1
  Al  Al191  1  0.924680  0.675290  0.451292  1
  Al  Al192  1  0.077137  0.808527  0.395492  1
  Al  Al193  1  0.583785  0.407077  0.423639  1
  Al  Al194  1  0.758013  0.341957  0.451292  1
  Al  Al195  1  0.910471  0.475194  0.395492  1
  Al  Al196  1  0.917119  0.073743  0.423639  1
  Al  Al197  1  0.091347  0.008623  0.451292  1
  Al  Al198  1  0.083785  0.407077  0.423639  1
  Al  Al199  1  0.254257  0.039425  0.438263  1
  Al  Al200  1  0.239353  0.836729  0.382616  1
  Al  Al201  1  0.414121  0.771490  0.409745  1
  Al  Al202  1  0.587591  0.706092  0.438263  1
  Al  Al203  1  0.247454  0.438157  0.409745  1
  Al  Al204  1  0.420924  0.372758  0.438263  1
  Al  Al205  1  0.406020  0.170062  0.382616  1
  Al  Al206  1  0.580787  0.104824  0.409745  1
  Al  Al207  1  0.754257  0.039425  0.438263  1
  Al  Al208  1  0.739353  0.836729  0.382616  1
  Al  Al209  1  0.914121  0.771490  0.409745  1
  Al  Al210  1  0.087591  0.706092  0.438263  1
  Al  Al211  1  0.572687  0.503395  0.382616  1
  Al  Al212  1  0.747454  0.438157  0.409745  1
  Al  Al213  1  0.920924  0.372758  0.438263  1
  Al  Al214  1  0.906020  0.170062  0.382616  1
  Al  Al215  1  0.080787  0.104824  0.409745  1
  Al  Al216  1  0.072687  0.503395  0.382616  1
  Al  Al217  1  0.250290  0.986268  0.530630  1
  Al  Al218  1  0.235795  0.785007  0.474980  1
  Al  Al219  1  0.409745  0.719432  0.502742  1
  Al  Al220  1  0.583623  0.652934  0.530630  1
  Al  Al221  1  0.243078  0.386099  0.502742  1
  Al  Al222  1  0.416957  0.319601  0.530630  1
  Al  Al223  1  0.402461  0.118340  0.474980  1
  Al  Al224  1  0.576412  0.052765  0.502742  1
  Al  Al225  1  0.750290  0.986268  0.530630  1
  Al  Al226  1  0.735795  0.785007  0.474980  1
  Al  Al227  1  0.909745  0.719432  0.502742  1
  Al  Al228  1  0.083623  0.652934  0.530630  1
  Al  Al229  1  0.569128  0.451674  0.474980  1
  Al  Al230  1  0.743078  0.386099  0.502742  1
  Al  Al231  1  0.916957  0.319601  0.530630  1
  Al  Al232  1  0.902461  0.118340  0.474980  1
  Al  Al233  1  0.076412  0.052765  0.502742  1
  Al  Al234  1  0.069128  0.451674  0.474980  1
  Al  Al235  1  0.164858  0.018742  0.516942  1
  Al  Al236  1  0.150379  0.817610  0.461380  1
  Al  Al237  1  0.324193  0.751241  0.489094  1
  Al  Al238  1  0.498192  0.685408  0.516942  1
  Al  Al239  1  0.157526  0.417908  0.489094  1
  Al  Al240  1  0.331525  0.352075  0.516942  1
  Al  Al241  1  0.317046  0.150944  0.461380  1
  Al  Al242  1  0.490859  0.084574  0.489094  1
  Al  Al243  1  0.664858  0.018742  0.516942  1
  Al  Al244  1  0.650379  0.817610  0.461380  1
  Al  Al245  1  0.824193  0.751241  0.489094  1
  Al  Al246  1  0.998192  0.685408  0.516942  1
  Al  Al247  1  0.483713  0.484277  0.461380  1
  Al  Al248  1  0.657526  0.417908  0.489094  1
  Al  Al249  1  0.831525  0.352075  0.516942  1
  Al  Al250  1  0.817046  0.150944  0.461380  1
  Al  Al251  1  0.990859  0.084574  0.489094  1
  Al  Al252  1  0.983713  0.484277  0.461380  1
  Al  Al253  1  0.154021  0.120359  0.474484  1
  Al  Al254  1  0.161097  0.720409  0.502408  1
  Al  Al255  1  0.334942  0.654815  0.530272  1
  Al  Al256  1  0.487354  0.787026  0.474484  1
  Al  Al257  1  0.168275  0.321482  0.530272  1
  Al  Al258  1  0.320687  0.453692  0.474484  1
  Al  Al259  1  0.327763  0.053742  0.502408  1
  Al  Al260  1  0.501609  0.988148  0.530272  1
  Al  Al261  1  0.654021  0.120359  0.474484  1
  Al  Al262  1  0.661097  0.720409  0.502408  1
  Al  Al263  1  0.834942  0.654815  0.530272  1
  Al  Al264  1  0.987354  0.787026  0.474484  1
  Al  Al265  1  0.494430  0.387075  0.502408  1
  Al  Al266  1  0.668275  0.321482  0.530272  1
  Al  Al267  1  0.820687  0.453692  0.474484  1
  Al  Al268  1  0.827763  0.053742  0.502408  1
  Al  Al269  1  1.001609  0.988148  0.530272  1
  Al  Al270  1  0.994430  0.387075  0.502408  1
  Al  Al271  1  0.179528  0.974452  0.465588  1
  Al  Al272  1  0.186739  0.574621  0.493475  1
  Al  Al273  1  0.360690  0.509046  0.521238  1
  Al  Al274  1  0.512861  0.641119  0.465588  1
  Al  Al275  1  0.194023  0.175713  0.521238  1
  Al  Al276  1  0.346194  0.307785  0.465588  1
  Al  Al277  1  0.353406  0.907954  0.493475  1
  Al  Al278  1  0.527356  0.842380  0.521238  1
  Al  Al279  1  0.679528  0.974452  0.465588  1
  Al  Al280  1  0.686739  0.574621  0.493475  1
  Al  Al281  1  0.860690  0.509046  0.521238  1
  Al  Al282  1  0.012861  0.641119  0.465588  1
  Al  Al283  1  0.520072  0.241288  0.493475  1
  Al  Al284  1  0.694023  0.175713  0.521238  1
  Al  Al285  1  0.846194  0.307785  0.465588  1
  Al  Al286  1  0.853406  0.907954  0.493475  1
  Al  Al287  1  0.027356  0.842380  0.521238  1
  Al  Al288  1  0.020072  0.241288  0.493475  1
  Al  Al289  1  0.264959  0.941978  0.479276  1
  Al  Al290  1  0.272291  0.542812  0.507124  1
  Al  Al291  1  0.446105  0.476443  0.534838  1
  Al  Al292  1  0.598293  0.608645  0.479276  1
  Al  Al293  1  0.279438  0.143109  0.534838  1
  Al  Al294  1  0.431626  0.275311  0.479276  1
  Al  Al295  1  0.438958  0.876145  0.507124  1
  Al  Al296  1  0.612772  0.809776  0.534838  1
  Al  Al297  1  0.764959  0.941978  0.479276  1
  Al  Al298  1  0.772291  0.542812  0.507124  1
  Al  Al299  1  0.946105  0.476443  0.534838  1
  Al  Al300  1  0.098293  0.608645  0.479276  1
  Al  Al301  1  0.605625  0.209479  0.507124  1
  Al  Al302  1  0.779438  0.143109  0.534838  1
  Al  Al303  1  0.931626  0.275311  0.479276  1
  Al  Al304  1  0.938958  0.876145  0.507124  1
  Al  Al305  1  0.112772  0.809776  0.534838  1
  Al  Al306  1  0.105625  0.209479  0.507124  1
  Al  Al307  1  0.275797  0.840361  0.521734  1
  Al  Al308  1  0.261542  0.639238  0.465946  1
  Al  Al309  1  0.435388  0.573644  0.493810  1
  Al  Al310  1  0.609130  0.507027  0.521734  1
  Al  Al311  1  0.268721  0.240311  0.493810  1
  Al  Al312  1  0.442464  0.173694  0.521734  1
  Al  Al313  1  0.428209  0.972571  0.465946  1
  Al  Al314  1  0.602054  0.906978  0.493810  1
  Al  Al315  1  0.775797  0.840361  0.521734  1
  Al  Al316  1  0.761542  0.639238  0.465946  1
  Al  Al317  1  0.935388  0.573644  0.493810  1
  Al  Al318  1  0.109130  0.507027  0.521734  1
  Al  Al319  1  0.594875  0.305905  0.465946  1
  Al  Al320  1  0.768721  0.240311  0.493810  1
  Al  Al321  1  0.942464  0.173694  0.521734  1
  Al  Al322  1  0.928209  0.972571  0.465946  1
  Al  Al323  1  0.102054  0.906978  0.493810  1
  Al  Al324  1  0.094875  0.305905  0.465946  1
  Al  Al325  1  0.271061  0.787689  0.614345  1
  Al  Al326  1  0.257221  0.587096  0.558568  1
  Al  Al327  1  0.431478  0.520972  0.586060  1
  Al  Al328  1  0.604395  0.454356  0.614345  1
  Al  Al329  1  0.264811  0.187639  0.586060  1
  Al  Al330  1  0.437728  0.121023  0.614345  1
  Al  Al331  1  0.423888  0.920429  0.558568  1
  Al  Al332  1  0.598144  0.854306  0.586060  1
  Al  Al333  1  0.771061  0.787689  0.614345  1
  Al  Al334  1  0.757221  0.587096  0.558568  1
  Al  Al335  1  0.931478  0.520972  0.586060  1
  Al  Al336  1  0.104395  0.454356  0.614345  1
  Al  Al337  1  0.590554  0.253762  0.558568  1
  Al  Al338  1  0.764811  0.187639  0.586060  1
  Al  Al339  1  0.937728  0.121023  0.614345  1
  Al  Al340  1  0.923888  0.920429  0.558568  1
  Al  Al341  1  0.098144  0.854306  0.586060  1
  Al  Al342  1  0.090554  0.253762  0.558568  1
  Al  Al343  1  0.186013  0.818859  0.600726  1
  Al  Al344  1  0.171804  0.618763  0.544926  1
  Al  Al345  1  0.346032  0.553643  0.572578  1
  Al  Al346  1  0.519347  0.485526  0.600726  1
  Al  Al347  1  0.179366  0.220310  0.572578  1
  Al  Al348  1  0.352680  0.152192  0.600726  1
  Al  Al349  1  0.338471  0.952096  0.544926  1
  Al  Al350  1  0.512699  0.886976  0.572578  1
  Al  Al351  1  0.686013  0.818859  0.600726  1
  Al  Al352  1  0.671804  0.618763  0.544926  1
  Al  Al353  1  0.846032  0.553643  0.572578  1
  Al  Al354  1  0.019347  0.485526  0.600726  1
  Al  Al355  1  0.505137  0.285430  0.544926  1
  Al  Al356  1  0.679366  0.220310  0.572578  1
  Al  Al357  1  0.852680  0.152192  0.600726  1
  Al  Al358  1  0.838471  0.952096  0.544926  1
  Al  Al359  1  0.012699  0.886976  0.572578  1
  Al  Al360  1  0.005137  0.285430  0.544926  1
  Al  Al361  1  0.175560  0.921295  0.557955  1
  Al  Al362  1  0.182364  0.522563  0.586473  1
  Al  Al363  1  0.357131  0.457324  0.613602  1
  Al  Al364  1  0.508894  0.587961  0.557955  1
  Al  Al365  1  0.190464  0.123991  0.613602  1
  Al  Al366  1  0.342227  0.254628  0.557955  1
  Al  Al367  1  0.349030  0.855896  0.586473  1
  Al  Al368  1  0.523798  0.790658  0.613602  1
  Al  Al369  1  0.675560  0.921295  0.557955  1
  Al  Al370  1  0.682364  0.522563  0.586473  1
  Al  Al371  1  0.857131  0.457324  0.613602  1
  Al  Al372  1  0.008894  0.587961  0.557955  1
  Al  Al373  1  0.515697  0.189229  0.586473  1
  Al  Al374  1  0.690464  0.123991  0.613602  1
  Al  Al375  1  0.842227  0.254628  0.557955  1
  Al  Al376  1  0.849030  0.855896  0.586473  1
  Al  Al377  1  0.023798  0.790658  0.613602  1
  Al  Al378  1  0.015697  0.189229  0.586473  1
  Al  Al379  1  0.201077  0.775517  0.549230  1
  Al  Al380  1  0.208772  0.377366  0.577017  1
  Al  Al381  1  0.381945  0.309750  0.604421  1
  Al  Al382  1  0.534410  0.442183  0.549230  1
  Al  Al383  1  0.215279  0.976417  0.604421  1
  Al  Al384  1  0.367743  0.108850  0.549230  1
  Al  Al385  1  0.375439  0.710699  0.577017  1
  Al  Al386  1  0.548612  0.643083  0.604421  1
  Al  Al387  1  0.701077  0.775517  0.549230  1
  Al  Al388  1  0.708772  0.377366  0.577017  1
  Al  Al389  1  0.881945  0.309750  0.604421  1
  Al  Al390  1  0.034410  0.442183  0.549230  1
  Al  Al391  1  0.542105  0.044032  0.577017  1
  Al  Al392  1  0.715279  0.976417  0.604421  1
  Al  Al393  1  0.867743  0.108850  0.549230  1
  Al  Al394  1  0.875439  0.710699  0.577017  1
  Al  Al395  1  0.048612  0.643083  0.604421  1
  Al  Al396  1  0.042105  0.044032  0.577017  1
  Al  Al397  1  0.286724  0.743962  0.562927  1
  Al  Al398  1  0.294292  0.344559  0.590443  1
  Al  Al399  1  0.467466  0.279605  0.618885  1
  Al  Al400  1  0.620058  0.410629  0.562927  1
  Al  Al401  1  0.300799  0.946271  0.618885  1
  Al  Al402  1  0.453391  0.077295  0.562927  1
  Al  Al403  1  0.460959  0.677893  0.590443  1
  Al  Al404  1  0.634132  0.612938  0.618885  1
  Al  Al405  1  0.786724  0.743962  0.562927  1
  Al  Al406  1  0.794292  0.344559  0.590443  1
  Al  Al407  1  0.967466  0.279605  0.618885  1
  Al  Al408  1  0.120058  0.410629  0.562927  1
  Al  Al409  1  0.627626  0.011226  0.590443  1
  Al  Al410  1  0.800799  0.946271  0.618885  1
  Al  Al411  1  0.953391  0.077295  0.562927  1
  Al  Al412  1  0.960959  0.677893  0.590443  1
  Al  Al413  1  0.134132  0.612938  0.618885  1
  Al  Al414  1  0.127626  0.011226  0.590443  1
  Al  Al415  1  0.298051  0.642937  0.605069  1
  Al  Al416  1  0.283321  0.441600  0.549470  1
  Al  Al417  1  0.456749  0.374858  0.577396  1
  Al  Al418  1  0.631385  0.309604  0.605069  1
  Al  Al419  1  0.290082  0.041524  0.577396  1
  Al  Al420  1  0.464718  0.976270  0.605069  1
  Al  Al421  1  0.449987  0.774933  0.549470  1
  Al  Al422  1  0.623415  0.708191  0.577396  1
  Al  Al423  1  0.798051  0.642937  0.605069  1
  Al  Al424  1  0.783321  0.441600  0.549470  1
  Al  Al425  1  0.956749  0.374858  0.577396  1
  Al  Al426  1  0.131385  0.309604  0.605069  1
  Al  Al427  1  0.616654  0.108267  0.549470  1
  Al  Al428  1  0.790082  0.041524  0.577396  1
  Al  Al429  1  0.964718  0.976270  0.605069  1
  Al  Al430  1  0.949987  0.774933  0.549470  1
  Al  Al431  1  0.123415  0.708191  0.577396  1
  Al  Al432  1  0.116654  0.108267  0.549470  1
  Al  Al433  1  0.295229  0.593453  0.696549  1
  Al  Al434  1  0.279902  0.390365  0.640956  1
  Al  Al435  1  0.451726  0.319059  0.670980  1
  Al  Al436  1  0.628562  0.260120  0.696549  1
  Al  Al437  1  0.285059  0.985725  0.670980  1
  Al  Al438  1  0.461896  0.926787  0.696549  1
  Al  Al439  1  0.446568  0.723698  0.640956  1
  Al  Al440  1  0.618393  0.652392  0.670980  1
  Al  Al441  1  0.795229  0.593453  0.696549  1
  Al  Al442  1  0.779902  0.390365  0.640956  1
  Al  Al443  1  0.951726  0.319059  0.670980  1
  Al  Al444  1  0.128562  0.260120  0.696549  1
  Al  Al445  1  0.613235  0.057031  0.640956  1
  Al  Al446  1  0.785059  0.985725  0.670980  1
  Al  Al447  1  0.961896  0.926787  0.696549  1
  Al  Al448  1  0.946568  0.723698  0.640956  1
  Al  Al449  1  0.118393  0.652392  0.670980  1
  Al  Al450  1  0.113235  0.057031  0.640956  1
  Al  Al451  1  0.207977  0.621112  0.685114  1
  Al  Al452  1  0.193500  0.419888  0.628591  1
  Al  Al453  1  0.367047  0.353828  0.654690  1
  Al  Al454  1  0.541310  0.287779  0.685114  1
  Al  Al455  1  0.200381  0.020494  0.654690  1
  Al  Al456  1  0.374643  0.954446  0.685114  1
  Al  Al457  1  0.360167  0.753221  0.628591  1
  Al  Al458  1  0.533714  0.687161  0.654690  1
  Al  Al459  1  0.707977  0.621112  0.685114  1
  Al  Al460  1  0.693500  0.419888  0.628591  1
  Al  Al461  1  0.867047  0.353828  0.654690  1
  Al  Al462  1  0.041310  0.287779  0.685114  1
  Al  Al463  1  0.526833  0.086554  0.628591  1
  Al  Al464  1  0.700381  0.020494  0.654690  1
  Al  Al465  1  0.874643  0.954446  0.685114  1
  Al  Al466  1  0.860167  0.753221  0.628591  1
  Al  Al467  1  0.033714  0.687161  0.654690  1
  Al  Al468  1  0.026833  0.086554  0.628591  1
  Al  Al469  1  0.196652  0.723442  0.642735  1
  Al  Al470  1  0.206559  0.326615  0.670503  1
  Al  Al471  1  0.372039  0.261935  0.697522  1
  Al  Al472  1  0.529985  0.390109  0.642735  1
  Al  Al473  1  0.205372  0.928601  0.697522  1
  Al  Al474  1  0.363318  0.056776  0.642735  1
  Al  Al475  1  0.373225  0.659948  0.670503  1
  Al  Al476  1  0.538705  0.595268  0.697522  1
  Al  Al477  1  0.696652  0.723442  0.642735  1
  Al  Al478  1  0.706559  0.326615  0.670503  1
  Al  Al479  1  0.872039  0.261935  0.697522  1
  Al  Al480  1  0.029985  0.390109  0.642735  1
  Al  Al481  1  0.539892  0.993282  0.670503  1
  Al  Al482  1  0.705372  0.928601  0.697522  1
  Al  Al483  1  0.863318  0.056776  0.642735  1
  Al  Al484  1  0.873225  0.659948  0.670503  1
  Al  Al485  1  0.038705  0.595268  0.697522  1
  Al  Al486  1  0.039892  0.993282  0.670503  1
  Al  Al487  1  0.223692  0.580195  0.632696  1
  Al  Al488  1  0.227735  0.178776  0.660656  1
  Al  Al489  1  0.405753  0.117149  0.688365  1
  Al  Al490  1  0.557025  0.246862  0.632696  1
  Al  Al491  1  0.239086  0.783815  0.688365  1
  Al  Al492  1  0.390358  0.913528  0.632696  1
  Al  Al493  1  0.394402  0.512110  0.660656  1
  Al  Al494  1  0.572420  0.450482  0.688365  1
  Al  Al495  1  0.723692  0.580195  0.632696  1
  Al  Al496  1  0.727735  0.178776  0.660656  1
  Al  Al497  1  0.905753  0.117149  0.688365  1
  Al  Al498  1  0.057025  0.246862  0.632696  1
  Al  Al499  1  0.561068  0.845443  0.660656  1
  Al  Al500  1  0.739086  0.783815  0.688365  1
  Al  Al501  1  0.890358  0.913528  0.632696  1
  Al  Al502  1  0.894402  0.512110  0.660656  1
  Al  Al503  1  0.072420  0.450482  0.688365  1
  Al  Al504  1  0.061068  0.845443  0.660656  1
  Al  Al505  1  0.309826  0.548094  0.646250  1
  Al  Al506  1  0.315270  0.144089  0.674716  1
  Al  Al507  1  0.496155  0.089603  0.700825  1
  Al  Al508  1  0.643159  0.214760  0.646250  1
  Al  Al509  1  0.329488  0.756269  0.700825  1
  Al  Al510  1  0.476493  0.881427  0.646250  1
  Al  Al511  1  0.481936  0.477422  0.674716  1
  Al  Al512  1  0.662822  0.422936  0.700825  1
  Al  Al513  1  0.809826  0.548094  0.646250  1
  Al  Al514  1  0.815270  0.144089  0.674716  1
  Al  Al515  1  0.996155  0.089603  0.700825  1
  Al  Al516  1  0.143159  0.214760  0.646250  1
  Al  Al517  1  0.648603  0.810756  0.674716  1
  Al  Al518  1  0.829488  0.756269  0.700825  1
  Al  Al519  1  0.976493  0.881427  0.646250  1
  Al  Al520  1  0.981936  0.477422  0.674716  1
  Al  Al521  1  0.162822  0.422936  0.700825  1
  Al  Al522  1  0.148603  0.810756  0.674716  1
  Al  Al523  1  0.316031  0.438181  0.689305  1
  Al  Al524  1  0.304331  0.240171  0.632708  1
  Al  Al525  1  0.479335  0.177721  0.659569  1
  Al  Al526  1  0.649364  0.104847  0.689305  1
  Al  Al527  1  0.312668  0.844387  0.659569  1
  Al  Al528  1  0.482698  0.771514  0.689305  1
  Al  Al529  1  0.470997  0.573504  0.632708  1
  Al  Al530  1  0.646001  0.511054  0.659569  1
  Al  Al531  1  0.816031  0.438181  0.689305  1
  Al  Al532  1  0.804331  0.240171  0.632708  1
  Al  Al533  1  0.979335  0.177721  0.659569  1
  Al  Al534  1  0.149364  0.104847  0.689305  1
  Al  Al535  1  0.637664  0.906837  0.632708  1
  Al  Al536  1  0.812668  0.844387  0.659569  1
  Al  Al537  1  0.982698  0.771514  0.689305  1
  Al  Al538  1  0.970997  0.573504  0.632708  1
  Al  Al539  1  0.146001  0.511054  0.659569  1
  Al  Al540  1  0.137664  0.906837  0.632708  1
  Fe  Fe541  1  0.145739  0.269649  0.340409  1
  Fe  Fe542  1  0.153936  0.872653  0.367832  1
  Fe  Fe543  1  0.306259  0.005274  0.316342  1
  Fe  Fe544  1  0.479073  0.936316  0.340409  1
  Fe  Fe545  1  0.139592  0.671941  0.316342  1
  Fe  Fe546  1  0.312406  0.602982  0.340409  1
  Fe  Fe547  1  0.320603  0.205986  0.367832  1
  Fe  Fe548  1  0.472926  0.338608  0.316342  1
  Fe  Fe549  1  0.645739  0.269649  0.340409  1
  Fe  Fe550  1  0.653936  0.872653  0.367832  1
  Fe  Fe551  1  0.806259  0.005274  0.316342  1
  Fe  Fe552  1  0.979073  0.936316  0.340409  1
  Fe  Fe553  1  0.487270  0.539320  0.367832  1
  Fe  Fe554  1  0.639592  0.671941  0.316342  1
  Fe  Fe555  1  0.812406  0.602982  0.340409  1
  Fe  Fe556  1  0.820603  0.205986  0.367832  1
  Fe  Fe557  1  0.972926  0.338608  0.316342  1
  Fe  Fe558  1  0.987270  0.539320  0.367832  1
  Fe  Fe559  1  0.195095  0.478551  0.324520  1
  Fe  Fe560  1  0.204833  0.082830  0.349775  1
  Fe  Fe561  1  0.358622  0.213914  0.298020  1
  Fe  Fe562  1  0.528428  0.145217  0.324520  1
  Fe  Fe563  1  0.191955  0.880581  0.298020  1
  Fe  Fe564  1  0.361761  0.811884  0.324520  1
  Fe  Fe565  1  0.371500  0.416164  0.349775  1
  Fe  Fe566  1  0.525289  0.547247  0.298020  1
  Fe  Fe567  1  0.695095  0.478551  0.324520  1
  Fe  Fe568  1  0.704833  0.082830  0.349775  1
  Fe  Fe569  1  0.858622  0.213914  0.298020  1
  Fe  Fe570  1  0.028428  0.145217  0.324520  1
  Fe  Fe571  1  0.538166  0.749497  0.349775  1
  Fe  Fe572  1  0.691955  0.880581  0.298020  1
  Fe  Fe573  1  0.861761  0.811884  0.324520  1
  Fe  Fe574  1  0.871500  0.416164  0.349775  1
  Fe  Fe575  1  0.025289  0.547247  0.298020  1
  Fe  Fe576  1  0.038166  0.749497  0.349775  1
  Fe  Fe577  1  0.168027  0.073622  0.423710  1
  Fe  Fe578  1  0.175021  0.673590  0.451776  1
  Fe  Fe579  1  0.327175  0.805098  0.396065  1
  Fe  Fe580  1  0.501361  0.740289  0.423710  1
  Fe  Fe581  1  0.160508  0.471765  0.396065  1
  Fe  Fe582  1  0.334694  0.406956  0.423710  1
  Fe  Fe583  1  0.341687  0.006923  0.451776  1
  Fe  Fe584  1  0.493842  0.138431  0.396065  1
  Fe  Fe585  1  0.668027  0.073622  0.423710  1
  Fe  Fe586  1  0.675021  0.673590  0.451776  1
  Fe  Fe587  1  0.827175  0.805098  0.396065  1
  Fe  Fe588  1  1.001361  0.740289  0.423710  1
  Fe  Fe589  1  0.508354  0.340256  0.451776  1
  Fe  Fe590  1  0.660508  0.471765  0.396065  1
  Fe  Fe591  1  0.834694  0.406956  0.423710  1
  Fe  Fe592  1  0.841687  0.006923  0.451776  1
  Fe  Fe593  1  0.993842  0.138431  0.396065  1
  Fe  Fe594  1  0.008354  0.340256  0.451776  1
  Fe  Fe595  1  0.218867  0.284055  0.405082  1
  Fe  Fe596  1  0.225828  0.884466  0.433243  1
  Fe  Fe597  1  0.377552  0.015918  0.377513  1
  Fe  Fe598  1  0.552200  0.950722  0.405082  1
  Fe  Fe599  1  0.210885  0.682585  0.377513  1
  Fe  Fe600  1  0.385534  0.617389  0.405082  1
  Fe  Fe601  1  0.392495  0.217799  0.433243  1
  Fe  Fe602  1  0.544219  0.349252  0.377513  1
  Fe  Fe603  1  0.718867  0.284055  0.405082  1
  Fe  Fe604  1  0.725828  0.884466  0.433243  1
  Fe  Fe605  1  0.877552  0.015918  0.377513  1
  Fe  Fe606  1  0.052200  0.950722  0.405082  1
  Fe  Fe607  1  0.559161  0.551133  0.433243  1
  Fe  Fe608  1  0.710885  0.682585  0.377513  1
  Fe  Fe609  1  0.885534  0.617389  0.405082  1
  Fe  Fe610  1  0.892495  0.217799  0.433243  1
  Fe  Fe611  1  0.044219  0.349252  0.377513  1
  Fe  Fe612  1  0.059161  0.551133  0.433243  1
  Fe  Fe613  1  0.189521  0.874892  0.507401  1
  Fe  Fe614  1  0.196703  0.475658  0.535342  1
  Fe  Fe615  1  0.349046  0.607907  0.479487  1
  Fe  Fe616  1  0.522855  0.541559  0.507401  1
  Fe  Fe617  1  0.182380  0.274573  0.479487  1
  Fe  Fe618  1  0.356188  0.208226  0.507401  1
  Fe  Fe619  1  0.363369  0.808991  0.535342  1
  Fe  Fe620  1  0.515713  0.941240  0.479487  1
  Fe  Fe621  1  0.689521  0.874892  0.507401  1
  Fe  Fe622  1  0.696703  0.475658  0.535342  1
  Fe  Fe623  1  0.849046  0.607907  0.479487  1
  Fe  Fe624  1  0.022855  0.541559  0.507401  1
  Fe  Fe625  1  0.530036  0.142324  0.535342  1
  Fe  Fe626  1  0.682380  0.274573  0.479487  1
  Fe  Fe627  1  0.856188  0.208226  0.507401  1
  Fe  Fe628  1  0.863369  0.808991  0.535342  1
  Fe  Fe629  1  0.015713  0.941240  0.479487  1
  Fe  Fe630  1  0.030036  0.142324  0.535342  1
  Fe  Fe631  1  0.240296  0.085828  0.488817  1
  Fe  Fe632  1  0.247438  0.686146  0.516731  1
  Fe  Fe633  1  0.399782  0.818396  0.460876  1
  Fe  Fe634  1  0.573630  0.752494  0.488817  1
  Fe  Fe635  1  0.233115  0.485062  0.460876  1
  Fe  Fe636  1  0.406963  0.419161  0.488817  1
  Fe  Fe637  1  0.414104  0.019480  0.516731  1
  Fe  Fe638  1  0.566448  0.151729  0.460876  1
  Fe  Fe639  1  0.740296  0.085828  0.488817  1
  Fe  Fe640  1  0.747438  0.686146  0.516731  1
  Fe  Fe641  1  0.899782  0.818396  0.460876  1
  Fe  Fe642  1  0.073630  0.752494  0.488817  1
  Fe  Fe643  1  0.580771  0.352813  0.516731  1
  Fe  Fe644  1  0.733115  0.485062  0.460876  1
  Fe  Fe645  1  0.906963  0.419161  0.488817  1
  Fe  Fe646  1  0.914104  0.019480  0.516731  1
  Fe  Fe647  1  0.066448  0.151729  0.460876  1
  Fe  Fe648  1  0.080771  0.352813  0.516731  1
  Fe  Fe649  1  0.210950  0.676664  0.591136  1
  Fe  Fe650  1  0.218932  0.278135  0.618705  1
  Fe  Fe651  1  0.370656  0.409587  0.562975  1
  Fe  Fe652  1  0.544284  0.343331  0.591136  1
  Fe  Fe653  1  0.203990  0.076254  0.562975  1
  Fe  Fe654  1  0.377617  0.009998  0.591136  1
  Fe  Fe655  1  0.385599  0.611468  0.618705  1
  Fe  Fe656  1  0.537323  0.742920  0.562975  1
  Fe  Fe657  1  0.710950  0.676664  0.591136  1
  Fe  Fe658  1  0.718932  0.278135  0.618705  1
  Fe  Fe659  1  0.870656  0.409587  0.562975  1
  Fe  Fe660  1  0.044284  0.343331  0.591136  1
  Fe  Fe661  1  0.552266  0.944801  0.618705  1
  Fe  Fe662  1  0.703990  0.076254  0.562975  1
  Fe  Fe663  1  0.877617  0.009998  0.591136  1
  Fe  Fe664  1  0.885599  0.611468  0.618705  1
  Fe  Fe665  1  0.037323  0.742920  0.562975  1
  Fe  Fe666  1  0.052266  0.944801  0.618705  1
  Fe  Fe667  1  0.261790  0.887097  0.572508  1
  Fe  Fe668  1  0.269309  0.488955  0.600152  1
  Fe  Fe669  1  0.421463  0.620463  0.544442  1
  Fe  Fe670  1  0.595123  0.553764  0.572508  1
  Fe  Fe671  1  0.254797  0.287130  0.544442  1
  Fe  Fe672  1  0.428457  0.220431  0.572508  1
  Fe  Fe673  1  0.435976  0.822289  0.600152  1
  Fe  Fe674  1  0.588130  0.953797  0.544442  1
  Fe  Fe675  1  0.761790  0.887097  0.572508  1
  Fe  Fe676  1  0.769309  0.488955  0.600152  1
  Fe  Fe677  1  0.921463  0.620463  0.544442  1
  Fe  Fe678  1  0.095123  0.553764  0.572508  1
  Fe  Fe679  1  0.602642  0.155622  0.600152  1
  Fe  Fe680  1  0.754797  0.287130  0.544442  1
  Fe  Fe681  1  0.928457  0.220431  0.572508  1
  Fe  Fe682  1  0.935976  0.822289  0.600152  1
  Fe  Fe683  1  0.088130  0.953797  0.544442  1
  Fe  Fe684  1  0.102642  0.155622  0.600152  1
  Fe  Fe685  1  0.234723  0.482169  0.671698  1
  Fe  Fe686  1  0.237862  0.080139  0.698198  1
  Fe  Fe687  1  0.391651  0.211223  0.646443  1
  Fe  Fe688  1  0.568056  0.148836  0.671698  1
  Fe  Fe689  1  0.224985  0.877889  0.646443  1
  Fe  Fe690  1  0.401390  0.815502  0.671698  1
  Fe  Fe691  1  0.404529  0.413472  0.698198  1
  Fe  Fe692  1  0.558318  0.544556  0.646443  1
  Fe  Fe693  1  0.734723  0.482169  0.671698  1
  Fe  Fe694  1  0.737862  0.080139  0.698198  1
  Fe  Fe695  1  0.891651  0.211223  0.646443  1
  Fe  Fe696  1  0.068056  0.148836  0.671698  1
  Fe  Fe697  1  0.571196  0.746806  0.698198  1
  Fe  Fe698  1  0.724985  0.877889  0.646443  1
  Fe  Fe699  1  0.901390  0.815502  0.671698  1
  Fe  Fe700  1  0.904529  0.413472  0.698198  1
  Fe  Fe701  1  0.058318  0.544556  0.646443  1
  Fe  Fe702  1  0.071196  0.746806  0.698198  1
  Fe  Fe703  1  0.284078  0.691071  0.655809  1
  Fe  Fe704  1  0.290225  0.288779  0.679876  1
  Fe  Fe705  1  0.442548  0.421400  0.628386  1
  Fe  Fe706  1  0.617412  0.357737  0.655809  1
  Fe  Fe707  1  0.275881  0.088067  0.628386  1
  Fe  Fe708  1  0.450745  0.024404  0.655809  1
  Fe  Fe709  1  0.456892  0.622112  0.679876  1
  Fe  Fe710  1  0.609215  0.754734  0.628386  1
  Fe  Fe711  1  0.784078  0.691071  0.655809  1
  Fe  Fe712  1  0.790225  0.288779  0.679876  1
  Fe  Fe713  1  0.942548  0.421400  0.628386  1
  Fe  Fe714  1  0.117412  0.357737  0.655809  1
  Fe  Fe715  1  0.623558  0.955445  0.679876  1
  Fe  Fe716  1  0.775881  0.088067  0.628386  1
  Fe  Fe717  1  0.950745  0.024404  0.655809  1
  Fe  Fe718  1  0.956892  0.622112  0.679876  1
  Fe  Fe719  1  0.109215  0.754734  0.628386  1
  Fe  Fe720  1  0.123558  0.955445  0.679876  1
