# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.81806266
_cell_length_b   27.58836521
_cell_length_c   47.23452913
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.19808689
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al234 Fe234'
_cell_volume   13966.7769394
_cell_formula_units_Z   234
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  0.154743  1.009093  0.269541  1
  Al  Al2  1  0.963707  0.823459  0.281675  1
  Al  Al3  1  0.793052  0.986243  0.276527  1
  Al  Al4  1  0.154743  0.509093  0.269541  1
  Al  Al5  1  0.289403  0.576329  0.283517  1
  Al  Al6  1  0.113646  0.738450  0.278634  1
  Al  Al7  1  0.602757  0.677347  0.261476  1
  Al  Al8  1  0.568789  0.774867  0.258360  1
  Al  Al9  1  0.395079  0.983570  0.288366  1
  Al  Al10  1  0.963707  0.323459  0.281675  1
  Al  Al11  1  0.793052  0.486243  0.276527  1
  Al  Al12  1  0.676931  0.576836  0.270088  1
  Al  Al13  1  0.289402  0.076329  0.283517  1
  Al  Al14  1  0.113646  0.238450  0.278634  1
  Al  Al15  1  0.602757  0.177347  0.261476  1
  Al  Al16  1  0.568789  0.274867  0.258360  1
  Al  Al17  1  0.395079  0.483570  0.288366  1
  Al  Al18  1  0.676932  0.076837  0.270088  1
  Al  Al19  1  0.994390  0.984212  0.304238  1
  Al  Al20  1  0.724162  0.815171  0.288746  1
  Al  Al21  1  0.616790  0.966993  0.309958  1
  Al  Al22  1  0.994390  0.484212  0.304238  1
  Al  Al23  1  0.902873  0.582199  0.300150  1
  Al  Al24  1  0.897843  0.741104  0.308102  1
  Al  Al25  1  0.422801  0.647421  0.291758  1
  Al  Al26  1  0.253031  0.814383  0.293683  1
  Al  Al27  1  0.221092  0.962335  0.321730  1
  Al  Al28  1  0.724162  0.315171  0.288746  1
  Al  Al29  1  0.616790  0.466993  0.309958  1
  Al  Al30  1  0.655722  0.637416  0.311661  1
  Al  Al31  1  0.902873  0.082199  0.300150  1
  Al  Al32  1  0.897843  0.241104  0.308102  1
  Al  Al33  1  0.422801  0.147421  0.291758  1
  Al  Al34  1  0.253031  0.314383  0.293683  1
  Al  Al35  1  0.221092  0.462335  0.321730  1
  Al  Al36  1  0.655722  0.137416  0.311661  1
  Al  Al37  1  0.829493  0.956672  0.335670  1
  Al  Al38  1  0.494942  0.800989  0.313057  1
  Al  Al39  1  0.441980  0.948465  0.343884  1
  Al  Al40  1  0.829493  0.456672  0.335670  1
  Al  Al41  1  0.709957  0.604266  0.361347  1
  Al  Al42  1  0.705925  0.789725  0.340099  1
  Al  Al43  1  0.238942  0.628566  0.327640  1
  Al  Al44  1  0.081902  0.793625  0.327815  1
  Al  Al45  1  0.050591  0.944499  0.356950  1
  Al  Al46  1  0.494942  0.300989  0.313057  1
  Al  Al47  1  0.441980  0.448465  0.343884  1
  Al  Al48  1  0.470406  0.615914  0.344478  1
  Al  Al49  1  0.709957  0.104266  0.361347  1
  Al  Al50  1  0.705925  0.289725  0.340099  1
  Al  Al51  1  0.238942  0.128566  0.327640  1
  Al  Al52  1  0.081902  0.293625  0.327815  1
  Al  Al53  1  0.050591  0.444499  0.356950  1
  Al  Al54  1  0.470406  0.115914  0.344478  1
  Al  Al55  1  0.657286  0.934405  0.367000  1
  Al  Al56  1  0.313635  0.781835  0.347342  1
  Al  Al57  1  0.268512  0.929788  0.377937  1
  Al  Al58  1  0.657286  0.434405  0.367000  1
  Al  Al59  1  0.512091  0.582928  0.396515  1
  Al  Al60  1  0.526743  0.769153  0.371083  1
  Al  Al61  1  0.041902  0.611234  0.355295  1
  Al  Al62  1  0.916511  0.772758  0.362643  1
  Al  Al63  1  0.877228  0.921719  0.388960  1
  Al  Al64  1  0.313635  0.281835  0.347342  1
  Al  Al65  1  0.268512  0.429788  0.377937  1
  Al  Al66  1  0.281772  0.595393  0.377646  1
  Al  Al67  1  0.512091  0.082928  0.396515  1
  Al  Al68  1  0.526743  0.269153  0.371083  1
  Al  Al69  1  0.041902  0.111234  0.355295  1
  Al  Al70  1  0.916511  0.272758  0.362643  1
  Al  Al71  1  0.877228  0.421719  0.388960  1
  Al  Al72  1  0.281772  0.095393  0.377646  1
  Al  Al73  1  0.483710  0.915831  0.400016  1
  Al  Al74  1  0.138999  0.760472  0.381613  1
  Al  Al75  1  0.095216  0.908321  0.411774  1
  Al  Al76  1  0.483710  0.415831  0.400016  1
  Al  Al77  1  0.330089  0.564456  0.431726  1
  Al  Al78  1  0.353066  0.749206  0.403520  1
  Al  Al79  1  0.889921  0.586738  0.393368  1
  Al  Al80  1  0.740556  0.753479  0.395501  1
  Al  Al81  1  0.701081  0.903577  0.421475  1
  Al  Al82  1  0.138999  0.260472  0.381613  1
  Al  Al83  1  0.095216  0.408321  0.411774  1
  Al  Al84  1  0.108154  0.576697  0.411441  1
  Al  Al85  1  0.330089  1.064456  0.431726  1
  Al  Al86  1  0.353066  0.249206  0.403520  1
  Al  Al87  1  0.889921  0.086738  0.393368  1
  Al  Al88  1  0.740556  0.253479  0.395501  1
  Al  Al89  1  0.701081  0.403577  0.421475  1
  Al  Al90  1  0.108154  0.076697  0.411441  1
  Al  Al91  1  0.315154  0.896950  0.434064  1
  Al  Al92  1  0.966927  0.741301  0.416368  1
  Al  Al93  1  0.913084  0.891271  0.445489  1
  Al  Al94  1  0.315154  0.396950  0.434064  1
  Al  Al95  1  0.148008  0.544723  0.464973  1
  Al  Al96  1  0.190771  0.728824  0.438756  1
  Al  Al97  1  0.709898  0.567699  0.424752  1
  Al  Al98  1  0.560879  0.732630  0.427868  1
  Al  Al99  1  0.539372  0.886157  0.457468  1
  Al  Al100  1  0.966927  0.241301  0.416368  1
  Al  Al101  1  0.913084  0.391271  0.445489  1
  Al  Al102  1  0.926070  0.555948  0.445856  1
  Al  Al103  1  0.148008  1.044723  0.464973  1
  Al  Al104  1  0.190771  0.228824  0.438756  1
  Al  Al105  1  0.709898  1.067699  0.424753  1
  Al  Al106  1  0.560879  0.232630  0.427869  1
  Al  Al107  1  0.539372  0.386157  0.457468  1
  Al  Al108  1  0.926070  1.055948  0.445856  1
  Al  Al109  1  0.136645  0.880223  0.467495  1
  Al  Al110  1  0.786509  0.723209  0.449476  1
  Al  Al111  1  0.681199  0.937247  0.512686  1
  Al  Al112  1  0.136645  0.380223  0.467495  1
  Al  Al113  1  0.978779  0.626913  0.479441  1
  Al  Al114  1  0.929998  0.775409  0.506097  1
  Al  Al115  1  0.533898  0.548934  0.456740  1
  Al  Al116  1  0.322459  0.780461  0.494393  1
  Al  Al117  1  0.284700  0.932726  0.524555  1
  Al  Al118  1  0.786509  0.223209  0.449476  1
  Al  Al119  1  0.681198  0.437247  0.512686  1
  Al  Al120  1  0.587286  0.618428  0.490261  1
  Al  Al121  1  0.978779  0.126913  0.479441  1
  Al  Al122  1  0.929998  0.275409  0.506097  1
  Al  Al123  1  0.533898  1.048934  0.456740  1
  Al  Al124  1  0.322459  0.280461  0.494393  1
  Al  Al125  1  0.284700  0.432726  0.524555  1
  Al  Al126  1  0.587286  0.118428  0.490261  1
  Al  Al127  1  0.893930  0.928609  0.536387  1
  Al  Al128  1  0.539333  0.771008  0.517472  1
  Al  Al129  1  0.499943  0.922368  0.546777  1
  Al  Al130  1  0.893930  0.428609  0.536387  1
  Al  Al131  1  0.802291  0.606871  0.511748  1
  Al  Al132  1  0.755174  0.759184  0.539391  1
  Al  Al133  1  0.195967  0.613157  0.501141  1
  Al  Al134  1  0.147135  0.764591  0.528241  1
  Al  Al135  1  0.107404  0.916069  0.558263  1
  Al  Al136  1  0.539333  0.271008  0.517472  1
  Al  Al137  1  0.499943  0.422368  0.546777  1
  Al  Al138  1  0.409654  0.600977  0.522959  1
  Al  Al139  1  0.802291  0.106871  0.511748  1
  Al  Al140  1  0.755173  0.259184  0.539391  1
  Al  Al141  1  0.195967  0.113157  0.501141  1
  Al  Al142  1  0.147135  0.264591  0.528241  1
  Al  Al143  1  0.107404  0.416069  0.558263  1
  Al  Al144  1  0.409654  0.100977  0.522959  1
  Al  Al145  1  0.715216  0.909825  0.568980  1
  Al  Al146  1  0.362013  0.753138  0.550752  1
  Al  Al147  1  0.321890  0.902402  0.579935  1
  Al  Al148  1  0.715216  0.409824  0.568980  1
  Al  Al149  1  0.625307  0.589813  0.545257  1
  Al  Al150  1  0.579894  0.740020  0.571928  1
  Al  Al151  1  0.017314  0.596637  0.534367  1
  Al  Al152  1  0.971937  0.747220  0.561364  1
  Al  Al153  1  0.931031  0.896826  0.591138  1
  Al  Al154  1  0.362013  0.253138  0.550752  1
  Al  Al155  1  0.321890  0.402402  0.579935  1
  Al  Al156  1  0.231513  0.583710  0.556341  1
  Al  Al157  1  0.625307  0.089813  0.545257  1
  Al  Al158  1  0.579894  0.240020  0.571928  1
  Al  Al159  1  0.017314  0.096637  0.534367  1
  Al  Al160  1  0.971937  0.247220  0.561364  1
  Al  Al161  1  0.931031  0.396826  0.591138  1
  Al  Al162  1  0.231513  0.083710  0.556341  1
  Al  Al163  1  0.537794  0.889398  0.601268  1
  Al  Al164  1  0.184067  0.734786  0.583962  1
  Al  Al165  1  0.144218  0.882007  0.613292  1
  Al  Al166  1  0.537794  0.389398  0.601268  1
  Al  Al167  1  0.448370  0.571619  0.578145  1
  Al  Al168  1  0.403686  0.719914  0.604760  1
  Al  Al169  1  0.841180  0.578020  0.567519  1
  Al  Al170  1  0.800016  0.727726  0.594019  1
  Al  Al171  1  0.758093  0.875745  0.623282  1
  Al  Al172  1  0.184067  0.234786  0.583962  1
  Al  Al173  1  0.144218  0.382007  0.613292  1
  Al  Al174  1  0.055729  0.564626  0.589588  1
  Al  Al175  1  0.448370  0.071619  0.578145  1
  Al  Al176  1  0.403686  0.219914  0.604760  1
  Al  Al177  1  0.841180  0.078020  0.567520  1
  Al  Al178  1  0.800016  0.227726  0.594019  1
  Al  Al179  1  0.758093  0.375745  0.623282  1
  Al  Al180  1  0.055729  1.064626  0.589588  1
  Al  Al181  1  0.357322  0.871088  0.636433  1
  Al  Al182  1  1.008062  0.714931  0.618289  1
  Al  Al183  1  0.968359  0.862775  0.648160  1
  Al  Al184  1  0.357322  0.371088  0.636433  1
  Al  Al185  1  0.272210  0.551860  0.610621  1
  Al  Al186  1  0.231729  0.703338  0.638259  1
  Al  Al187  1  0.665476  0.557170  0.600060  1
  Al  Al188  1  0.624551  0.709044  0.625075  1
  Al  Al189  1  0.578672  0.853431  0.652185  1
  Al  Al190  1  1.008062  0.214931  0.618289  1
  Al  Al191  1  0.968359  0.362775  0.648160  1
  Al  Al192  1  0.882651  0.545898  0.623093  1
  Al  Al193  1  0.272210  1.051860  0.610621  1
  Al  Al194  1  0.231729  0.203338  0.638259  1
  Al  Al195  1  0.665476  1.057170  0.600060  1
  Al  Al196  1  0.624551  0.209044  0.625075  1
  Al  Al197  1  0.578672  0.353431  0.652185  1
  Al  Al198  1  0.882651  1.045898  0.623093  1
  Al  Al199  1  0.195611  0.844124  0.670420  1
  Al  Al200  1  0.825012  0.691997  0.652226  1
  Al  Al201  1  0.774702  0.842764  0.680778  1
  Al  Al202  1  0.195611  0.344124  0.670420  1
  Al  Al203  1  0.106103  0.531590  0.645089  1
  Al  Al204  1  0.058028  0.679059  0.669523  1
  Al  Al205  1  0.484412  0.537342  0.632498  1
  Al  Al206  1  0.469817  0.688086  0.660948  1
  Al  Al207  1  0.441521  0.816945  0.689227  1
  Al  Al208  1  0.825012  0.191997  0.652226  1
  Al  Al209  1  0.774702  0.342764  0.680778  1
  Al  Al210  1  0.702805  0.524910  0.654218  1
  Al  Al211  1  0.106103  1.031590  0.645089  1
  Al  Al212  1  0.058028  0.179059  0.669523  1
  Al  Al213  1  0.484411  1.037342  0.632498  1
  Al  Al214  1  0.469817  0.188086  0.660948  1
  Al  Al215  1  0.441521  0.316945  0.689227  1
  Al  Al216  1  0.702805  1.024910  0.654218  1
  Al  Al217  1  1.002065  0.828151  0.700660  1
  Al  Al218  1  0.749102  0.598502  0.688479  1
  Al  Al219  1  0.490164  0.909798  0.692325  1
  Al  Al220  1  1.002065  0.328151  0.700660  1
  Al  Al221  1  0.922044  0.515119  0.676994  1
  Al  Al222  1  0.889154  0.667115  0.705247  1
  Al  Al223  1  0.306604  0.554820  0.673745  1
  Al  Al224  1  0.286973  0.658711  0.689874  1
  Al  Al225  1  0.118936  0.739570  0.705814  1
  Al  Al226  1  0.749102  0.098502  0.688479  1
  Al  Al227  1  0.490164  0.409798  0.692325  1
  Al  Al228  1  0.524782  0.503467  0.685801  1
  Al  Al229  1  0.922044  1.015119  0.676994  1
  Al  Al230  1  0.889153  0.167115  0.705247  1
  Al  Al231  1  0.306604  1.054820  0.673745  1
  Al  Al232  1  0.286972  0.158711  0.689874  1
  Al  Al233  1  0.118936  0.239570  0.705814  1
  Al  Al234  1  0.524782  1.003467  0.685801  1
  Fe  Fe235  1  1.011028  0.888443  0.316882  1
  Fe  Fe236  1  0.665136  0.727968  0.302586  1
  Fe  Fe237  1  0.795432  0.897728  0.296778  1
  Fe  Fe238  1  1.011028  0.388443  0.316882  1
  Fe  Fe239  1  0.123429  0.553559  0.317075  1
  Fe  Fe240  1  0.052576  0.653754  0.299584  1
  Fe  Fe241  1  0.512501  0.557029  0.303471  1
  Fe  Fe242  1  0.407837  0.736802  0.283271  1
  Fe  Fe243  1  0.383719  0.889170  0.306147  1
  Fe  Fe244  1  0.665136  0.227968  0.302586  1
  Fe  Fe245  1  0.795432  0.397728  0.296778  1
  Fe  Fe246  1  0.731571  0.541528  0.320885  1
  Fe  Fe247  1  0.123429  1.053559  0.317075  1
  Fe  Fe248  1  0.052576  0.153754  0.299584  1
  Fe  Fe249  1  0.512501  1.057029  0.303471  1
  Fe  Fe250  1  0.407837  0.236802  0.283271  1
  Fe  Fe251  1  0.383719  0.389170  0.306147  1
  Fe  Fe252  1  0.731571  1.041528  0.320885  1
  Fe  Fe253  1  0.830931  0.862735  0.346806  1
  Fe  Fe254  1  0.480666  0.707993  0.331149  1
  Fe  Fe255  1  0.609568  0.876662  0.326143  1
  Fe  Fe256  1  0.830931  0.362735  0.346806  1
  Fe  Fe257  1  0.934429  0.534797  0.348412  1
  Fe  Fe258  1  0.861098  0.659836  0.328721  1
  Fe  Fe259  1  0.343485  0.537718  0.334503  1
  Fe  Fe260  1  0.253788  0.715455  0.316563  1
  Fe  Fe261  1  0.215608  0.870325  0.339102  1
  Fe  Fe262  1  0.480666  0.207993  0.331149  1
  Fe  Fe263  1  0.609568  0.376662  0.326143  1
  Fe  Fe264  1  0.564646  0.523983  0.354016  1
  Fe  Fe265  1  0.934429  1.034797  0.348412  1
  Fe  Fe266  1  0.861098  0.159836  0.328721  1
  Fe  Fe267  1  0.343485  1.037718  0.334503  1
  Fe  Fe268  1  0.253788  0.215455  0.316563  1
  Fe  Fe269  1  0.215608  0.370325  0.339102  1
  Fe  Fe270  1  0.564646  1.023983  0.354016  1
  Fe  Fe271  1  0.649147  0.844277  0.381814  1
  Fe  Fe272  1  0.303352  0.688004  0.365055  1
  Fe  Fe273  1  0.436139  0.857441  0.358414  1
  Fe  Fe274  1  0.649147  0.344277  0.381814  1
  Fe  Fe275  1  0.768046  0.513144  0.379424  1
  Fe  Fe276  1  0.688639  0.699539  0.354232  1
  Fe  Fe277  1  0.164200  0.520580  0.366651  1
  Fe  Fe278  1  0.067749  0.701098  0.343799  1
  Fe  Fe279  1  0.040280  0.850667  0.370845  1
  Fe  Fe280  1  0.303352  0.188005  0.365055  1
  Fe  Fe281  1  0.436139  0.357441  0.358414  1
  Fe  Fe282  1  0.387985  0.506272  0.387345  1
  Fe  Fe283  1  0.768046  1.013144  0.379424  1
  Fe  Fe284  1  0.688639  0.199539  0.354232  1
  Fe  Fe285  1  0.164200  1.020580  0.366651  1
  Fe  Fe286  1  0.067749  0.201098  0.343799  1
  Fe  Fe287  1  0.040280  0.350667  0.370845  1
  Fe  Fe288  1  0.387985  1.006272  0.387345  1
  Fe  Fe289  1  0.472300  0.825522  0.413949  1
  Fe  Fe290  1  0.121858  0.668652  0.395809  1
  Fe  Fe291  1  0.259379  0.838454  0.391298  1
  Fe  Fe292  1  0.472300  0.325522  0.413950  1
  Fe  Fe293  1  0.597315  0.493261  0.410612  1
  Fe  Fe294  1  0.518517  0.675978  0.384580  1
  Fe  Fe295  1  0.997599  0.498441  0.400573  1
  Fe  Fe296  1  0.898177  0.680465  0.378758  1
  Fe  Fe297  1  0.862442  0.831560  0.403566  1
  Fe  Fe298  1  0.121858  0.168652  0.395809  1
  Fe  Fe299  1  0.259379  0.338454  0.391298  1
  Fe  Fe300  1  0.215576  0.487141  0.420473  1
  Fe  Fe301  1  0.597315  0.993261  0.410612  1
  Fe  Fe302  1  0.518517  0.175978  0.384580  1
  Fe  Fe303  1  0.997599  0.998441  0.400573  1
  Fe  Fe304  1  0.898177  0.180465  0.378758  1
  Fe  Fe305  1  0.862442  0.331560  0.403566  1
  Fe  Fe306  1  0.215576  0.987141  0.420473  1
  Fe  Fe307  1  0.289134  0.809161  0.444137  1
  Fe  Fe308  1  0.944985  0.650618  0.428556  1
  Fe  Fe309  1  0.076939  0.818956  0.424414  1
  Fe  Fe310  1  0.289134  0.309161  0.444137  1
  Fe  Fe311  1  0.427466  0.473926  0.442433  1
  Fe  Fe312  1  0.340161  0.655877  0.415909  1
  Fe  Fe313  1  0.821824  0.479935  0.430946  1
  Fe  Fe314  1  0.723025  0.659612  0.407934  1
  Fe  Fe315  1  0.682193  0.812775  0.434951  1
  Fe  Fe316  1  0.944985  0.150618  0.428556  1
  Fe  Fe317  1  0.076939  0.318956  0.424414  1
  Fe  Fe318  1  0.039410  0.468287  0.452381  1
  Fe  Fe319  1  0.427466  0.973926  0.442433  1
  Fe  Fe320  1  0.340161  0.155877  0.415909  1
  Fe  Fe321  1  0.821824  0.979935  0.430946  1
  Fe  Fe322  1  0.723025  0.159612  0.407934  1
  Fe  Fe323  1  0.682193  0.312775  0.434951  1
  Fe  Fe324  1  0.039410  0.968287  0.452381  1
  Fe  Fe325  1  0.106050  0.792362  0.475859  1
  Fe  Fe326  1  0.764498  0.633105  0.458955  1
  Fe  Fe327  1  0.893749  0.802205  0.455194  1
  Fe  Fe328  1  0.106050  0.292362  0.475859  1
  Fe  Fe329  1  0.251154  0.457746  0.473664  1
  Fe  Fe330  1  0.163970  0.637702  0.448284  1
  Fe  Fe331  1  0.648785  0.463738  0.462202  1
  Fe  Fe332  1  0.547211  0.640303  0.438325  1
  Fe  Fe333  1  0.503787  0.797888  0.465555  1
  Fe  Fe334  1  0.764497  0.133105  0.458955  1
  Fe  Fe335  1  0.893749  0.302205  0.455194  1
  Fe  Fe336  1  0.863685  0.457204  0.484013  1
  Fe  Fe337  1  0.251154  0.957746  0.473664  1
  Fe  Fe338  1  0.163970  0.137702  0.448284  1
  Fe  Fe339  1  0.648785  0.963738  0.462202  1
  Fe  Fe340  1  0.547211  0.140303  0.438325  1
  Fe  Fe341  1  0.503786  0.297888  0.465555  1
  Fe  Fe342  1  0.863685  0.957204  0.484013  1
  Fe  Fe343  1  0.946981  0.866100  0.496493  1
  Fe  Fe344  1  0.598805  0.707812  0.478609  1
  Fe  Fe345  1  0.714277  0.790205  0.486825  1
  Fe  Fe346  1  0.946981  0.366100  0.496493  1
  Fe  Fe347  1  0.071116  0.446203  0.505645  1
  Fe  Fe348  1  1.006561  0.713259  0.467973  1
  Fe  Fe349  1  0.464439  0.451958  0.494410  1
  Fe  Fe350  1  0.372971  0.628009  0.469898  1
  Fe  Fe351  1  0.356113  0.868885  0.486289  1
  Fe  Fe352  1  0.598805  0.207812  0.478609  1
  Fe  Fe353  1  0.714277  0.290205  0.486825  1
  Fe  Fe354  1  0.747012  0.540960  0.477148  1
  Fe  Fe355  1  0.071116  0.946203  0.505645  1
  Fe  Fe356  1  1.006561  0.213259  0.467973  1
  Fe  Fe357  1  0.464439  0.951958  0.494410  1
  Fe  Fe358  1  0.372971  0.128009  0.469898  1
  Fe  Fe359  1  0.356112  0.368885  0.486289  1
  Fe  Fe360  1  0.747012  1.040960  0.477148  1
  Fe  Fe361  1  0.778997  0.849250  0.528440  1
  Fe  Fe362  1  0.427245  0.691677  0.510531  1
  Fe  Fe363  1  0.567994  0.860204  0.507878  1
  Fe  Fe364  1  0.778997  0.349250  0.528440  1
  Fe  Fe365  1  0.964706  0.533787  0.497284  1
  Fe  Fe366  1  0.818823  0.697218  0.499901  1
  Fe  Fe367  1  0.355046  0.536927  0.486887  1
  Fe  Fe368  1  0.218546  0.701399  0.489222  1
  Fe  Fe369  1  0.170610  0.853940  0.517810  1
  Fe  Fe370  1  0.427245  0.191677  0.510531  1
  Fe  Fe371  1  0.567994  0.360204  0.507878  1
  Fe  Fe372  1  0.569964  0.526522  0.508518  1
  Fe  Fe373  1  0.964706  1.033787  0.497284  1
  Fe  Fe374  1  0.818823  0.197218  0.499901  1
  Fe  Fe375  1  0.355045  1.036927  0.486887  1
  Fe  Fe376  1  0.218546  0.201399  0.489222  1
  Fe  Fe377  1  0.170610  0.353940  0.517810  1
  Fe  Fe378  1  0.569963  1.026522  0.508518  1
  Fe  Fe379  1  0.596807  0.831416  0.558963  1
  Fe  Fe380  1  0.246595  0.674632  0.541988  1
  Fe  Fe381  1  0.383853  0.843196  0.537784  1
  Fe  Fe382  1  0.596807  0.331416  0.558963  1
  Fe  Fe383  1  0.786338  0.516603  0.528710  1
  Fe  Fe384  1  0.641665  0.680480  0.530519  1
  Fe  Fe385  1  0.178075  0.522511  0.518086  1
  Fe  Fe386  1  0.034879  0.686497  0.520103  1
  Fe  Fe387  1  0.991777  0.837710  0.548540  1
  Fe  Fe388  1  0.246595  0.174632  0.541988  1
  Fe  Fe389  1  0.383853  0.343196  0.537784  1
  Fe  Fe390  1  0.392218  0.510709  0.539442  1
  Fe  Fe391  1  0.786338  1.016603  0.528710  1
  Fe  Fe392  1  0.641665  0.180480  0.530519  1
  Fe  Fe393  1  0.178075  1.022511  0.518086  1
  Fe  Fe394  1  0.034879  0.186497  0.520103  1
  Fe  Fe395  1  0.991777  0.337710  0.548540  1
  Fe  Fe396  1  0.392218  1.010709  0.539442  1
  Fe  Fe397  1  0.418262  0.813005  0.591435  1
  Fe  Fe398  1  0.065402  0.657231  0.574821  1
  Fe  Fe399  1  0.202670  0.825073  0.570269  1
  Fe  Fe400  1  0.418262  0.313005  0.591435  1
  Fe  Fe401  1  0.611751  0.498220  0.559698  1
  Fe  Fe402  1  0.463909  0.662714  0.562453  1
  Fe  Fe403  1  1.002268  0.505639  0.549817  1
  Fe  Fe404  1  0.855623  0.669040  0.551957  1
  Fe  Fe405  1  0.812865  0.819601  0.579908  1
  Fe  Fe406  1  0.065402  0.157231  0.574821  1
  Fe  Fe407  1  0.202670  0.325073  0.570269  1
  Fe  Fe408  1  0.218239  0.491881  0.570444  1
  Fe  Fe409  1  0.611751  0.998220  0.559698  1
  Fe  Fe410  1  0.463909  0.162714  0.562453  1
  Fe  Fe411  1  1.002268  1.005639  0.549817  1
  Fe  Fe412  1  0.855623  0.169040  0.551957  1
  Fe  Fe413  1  0.812865  0.319601  0.579908  1
  Fe  Fe414  1  0.218239  0.991881  0.570444  1
  Fe  Fe415  1  0.241034  0.793781  0.623566  1
  Fe  Fe416  1  0.892049  0.638179  0.607862  1
  Fe  Fe417  1  0.020344  0.806378  0.603586  1
  Fe  Fe418  1  0.241034  0.293781  0.623566  1
  Fe  Fe419  1  0.436422  0.479395  0.591384  1
  Fe  Fe420  1  0.284126  0.645591  0.593668  1
  Fe  Fe421  1  0.829180  0.486260  0.581836  1
  Fe  Fe422  1  0.681822  0.650647  0.583543  1
  Fe  Fe423  1  0.638637  0.799355  0.610477  1
  Fe  Fe424  1  0.892049  0.138179  0.607862  1
  Fe  Fe425  1  0.020344  0.306378  0.603586  1
  Fe  Fe426  1  0.043973  0.473341  0.603288  1
  Fe  Fe427  1  0.436422  0.979395  0.591384  1
  Fe  Fe428  1  0.284126  0.145591  0.593668  1
  Fe  Fe429  1  0.829180  0.986260  0.581836  1
  Fe  Fe430  1  0.681822  0.150647  0.583543  1
  Fe  Fe431  1  0.638637  0.299355  0.610477  1
  Fe  Fe432  1  0.043973  0.973341  0.603288  1
  Fe  Fe433  1  0.071441  0.773863  0.655941  1
  Fe  Fe434  1  0.713143  0.618469  0.637913  1
  Fe  Fe435  1  0.843020  0.786359  0.636211  1
  Fe  Fe436  1  0.071441  0.273863  0.655941  1
  Fe  Fe437  1  0.259375  0.460172  0.622813  1
  Fe  Fe438  1  0.114645  0.624600  0.627457  1
  Fe  Fe439  1  0.653438  0.465685  0.613251  1
  Fe  Fe440  1  0.511124  0.632543  0.614999  1
  Fe  Fe441  1  0.458679  0.779696  0.641054  1
  Fe  Fe442  1  0.713143  0.118469  0.637913  1
  Fe  Fe443  1  0.843020  0.286359  0.636211  1
  Fe  Fe444  1  0.869788  0.453728  0.635452  1
  Fe  Fe445  1  0.259375  0.960172  0.622813  1
  Fe  Fe446  1  0.114644  0.124600  0.627457  1
  Fe  Fe447  1  0.653438  0.965685  0.613252  1
  Fe  Fe448  1  0.511124  0.132543  0.614999  1
  Fe  Fe449  1  0.458679  0.279696  0.641054  1
  Fe  Fe450  1  0.869788  0.953728  0.635452  1
  Fe  Fe451  1  0.894459  0.754627  0.685166  1
  Fe  Fe452  1  0.525393  0.596114  0.670745  1
  Fe  Fe453  1  0.661234  0.766252  0.666786  1
  Fe  Fe454  1  0.894459  0.254627  0.685166  1
  Fe  Fe455  1  0.087920  0.438724  0.655352  1
  Fe  Fe456  1  0.943522  0.605987  0.660142  1
  Fe  Fe457  1  0.473464  0.446891  0.643275  1
  Fe  Fe458  1  0.338219  0.620128  0.641982  1
  Fe  Fe459  1  0.298231  0.755895  0.675306  1
  Fe  Fe460  1  0.525393  0.096114  0.670745  1
  Fe  Fe461  1  0.661233  0.266252  0.666786  1
  Fe  Fe462  1  0.686320  0.432312  0.664698  1
  Fe  Fe463  1  0.087920  0.938724  0.655352  1
  Fe  Fe464  1  0.943522  0.105987  0.660142  1
  Fe  Fe465  1  0.473464  0.946891  0.643275  1
  Fe  Fe466  1  0.338219  0.120128  0.641982  1
  Fe  Fe467  1  0.298231  0.255895  0.675306  1
  Fe  Fe468  1  0.686320  0.932312  0.664698  1
