# generated using pymatgen
data_Al3Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.40597495
_cell_length_b   16.70266560
_cell_length_c   49.45719033
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.46888600
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Fe
_chemical_formula_sum   'Al324 Fe108'
_cell_volume   12683.4280703
_cell_formula_units_Z   108
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  0.724740  0.280267  0.324985  1
  Al  Al2  1  0.224740  0.280267  0.324985  1
  Al  Al3  1  0.156186  0.637655  0.304604  1
  Al  Al4  1  0.563207  0.997458  0.288507  1
  Al  Al5  1  0.656186  0.637655  0.304604  1
  Al  Al6  1  0.063207  0.997458  0.288507  1
  Al  Al7  1  0.614932  0.313300  0.298730  1
  Al  Al8  1  0.114932  0.313300  0.298730  1
  Al  Al9  1  0.050642  0.678915  0.283412  1
  Al  Al10  1  0.182121  0.955048  0.312053  1
  Al  Al11  1  0.550642  0.678915  0.283412  1
  Al  Al12  1  0.682121  0.955048  0.312053  1
  Al  Al13  1  0.763526  0.351173  0.276636  1
  Al  Al14  1  0.263526  0.351173  0.276636  1
  Al  Al15  1  0.899456  0.630357  0.306412  1
  Al  Al16  1  0.331660  0.994321  0.290613  1
  Al  Al17  1  0.399456  0.630357  0.306412  1
  Al  Al18  1  0.831660  0.994321  0.290613  1
  Al  Al19  1  0.918076  0.494425  0.290620  1
  Al  Al20  1  0.418076  0.494425  0.290620  1
  Al  Al21  1  0.342954  0.851146  0.276633  1
  Al  Al22  1  0.486146  0.130379  0.306438  1
  Al  Al23  1  0.842954  0.851146  0.276633  1
  Al  Al24  1  0.986146  0.130379  0.306438  1
  Al  Al25  1  0.028192  0.454980  0.312071  1
  Al  Al26  1  0.528192  0.454980  0.312071  1
  Al  Al27  1  0.453679  0.813284  0.298721  1
  Al  Al28  1  0.883323  0.178684  0.283430  1
  Al  Al29  1  0.953679  0.813284  0.298721  1
  Al  Al30  1  0.383323  0.178684  0.283430  1
  Al  Al31  1  0.189474  0.497433  0.288509  1
  Al  Al32  1  0.689474  0.497433  0.288509  1
  Al  Al33  1  0.310781  0.780258  0.324983  1
  Al  Al34  1  0.736629  0.137661  0.304635  1
  Al  Al35  1  0.810781  0.780258  0.324983  1
  Al  Al36  1  0.236629  0.137661  0.304635  1
  Al  Al37  1  0.437387  0.206332  0.373530  1
  Al  Al38  1  0.937387  0.206332  0.373530  1
  Al  Al39  1  0.870496  0.565470  0.356242  1
  Al  Al40  1  0.292185  0.923458  0.339712  1
  Al  Al41  1  0.370496  0.565470  0.356242  1
  Al  Al42  1  0.792185  0.923458  0.339712  1
  Al  Al43  1  0.331818  0.239214  0.348585  1
  Al  Al44  1  0.831818  0.239214  0.348585  1
  Al  Al45  1  0.762446  0.599235  0.333050  1
  Al  Al46  1  0.903455  0.885039  0.366180  1
  Al  Al47  1  0.262446  0.599235  0.333050  1
  Al  Al48  1  0.403455  0.885039  0.366180  1
  Al  Al49  1  0.474814  0.275955  0.325008  1
  Al  Al50  1  0.974814  0.275955  0.325008  1
  Al  Al51  1  0.614797  0.559913  0.356081  1
  Al  Al52  1  0.042610  0.919845  0.340236  1
  Al  Al53  1  0.114797  0.559913  0.356081  1
  Al  Al54  1  0.542610  0.919845  0.340236  1
  Al  Al55  1  0.632489  0.419830  0.340248  1
  Al  Al56  1  0.132489  0.419830  0.340248  1
  Al  Al57  1  0.056425  0.775996  0.325025  1
  Al  Al58  1  0.200353  0.059906  0.356099  1
  Al  Al59  1  0.556425  0.775996  0.325025  1
  Al  Al60  1  0.700353  0.059906  0.356099  1
  Al  Al61  1  0.736826  0.385017  0.366178  1
  Al  Al62  1  0.236826  0.385017  0.366178  1
  Al  Al63  1  0.162648  0.739195  0.348589  1
  Al  Al64  1  0.592000  0.099216  0.333063  1
  Al  Al65  1  0.662648  0.739195  0.348589  1
  Al  Al66  1  0.092000  0.099216  0.333063  1
  Al  Al67  1  0.886530  0.423469  0.339706  1
  Al  Al68  1  0.386530  0.423469  0.339706  1
  Al  Al69  1  0.024201  0.706350  0.373544  1
  Al  Al70  1  0.450196  0.065452  0.356262  1
  Al  Al71  1  0.524201  0.706350  0.373544  1
  Al  Al72  1  0.950196  0.065452  0.356262  1
  Al  Al73  1  0.150884  0.133523  0.423747  1
  Al  Al74  1  0.650884  0.133523  0.423747  1
  Al  Al75  1  0.582121  0.492062  0.406246  1
  Al  Al76  1  0.009209  0.848699  0.389572  1
  Al  Al77  1  0.082121  0.492062  0.406246  1
  Al  Al78  1  0.509209  0.848699  0.389572  1
  Al  Al79  1  0.046394  0.169075  0.398654  1
  Al  Al80  1  0.546394  0.169075  0.398654  1
  Al  Al81  1  0.476786  0.527156  0.382300  1
  Al  Al82  1  0.617651  0.812388  0.415520  1
  Al  Al83  1  0.976786  0.527156  0.382300  1
  Al  Al84  1  0.117651  0.812388  0.415520  1
  Al  Al85  1  0.187842  0.203471  0.374792  1
  Al  Al86  1  0.687842  0.203471  0.374792  1
  Al  Al87  1  0.331116  0.490072  0.407739  1
  Al  Al88  1  0.757263  0.847077  0.390565  1
  Al  Al89  1  0.831116  0.490072  0.407739  1
  Al  Al90  1  0.257263  0.847077  0.390565  1
  Al  Al91  1  0.345075  0.347087  0.390569  1
  Al  Al92  1  0.845075  0.347087  0.390569  1
  Al  Al93  1  0.770882  0.703464  0.374797  1
  Al  Al94  1  0.914203  0.990065  0.407753  1
  Al  Al95  1  0.270882  0.703464  0.374797  1
  Al  Al96  1  0.414203  0.990065  0.407753  1
  Al  Al97  1  0.449955  0.312341  0.415518  1
  Al  Al98  1  0.949955  0.312341  0.415518  1
  Al  Al99  1  0.877910  0.669040  0.398653  1
  Al  Al100  1  0.305583  0.027113  0.382313  1
  Al  Al101  1  0.377910  0.669040  0.398653  1
  Al  Al102  1  0.805583  0.027113  0.382313  1
  Al  Al103  1  0.594727  0.348697  0.389583  1
  Al  Al104  1  0.094727  0.348697  0.389583  1
  Al  Al105  1  0.737874  0.633525  0.423754  1
  Al  Al106  1  0.165170  0.992065  0.406266  1
  Al  Al107  1  0.237874  0.633525  0.423754  1
  Al  Al108  1  0.665170  0.992065  0.406266  1
  Al  Al109  1  0.864790  0.060976  0.473542  1
  Al  Al110  1  0.364790  0.060976  0.473542  1
  Al  Al111  1  0.294465  0.418606  0.456870  1
  Al  Al112  1  0.722873  0.776267  0.439904  1
  Al  Al113  1  0.794465  0.418606  0.456870  1
  Al  Al114  1  0.222873  0.776267  0.439904  1
  Al  Al115  1  0.759639  0.096399  0.448839  1
  Al  Al116  1  0.259639  0.096399  0.448839  1
  Al  Al117  1  0.189329  0.453774  0.432087  1
  Al  Al118  1  0.331355  0.739098  0.465798  1
  Al  Al119  1  0.689329  0.453774  0.432087  1
  Al  Al120  1  0.831355  0.739098  0.465798  1
  Al  Al121  1  0.900842  0.132517  0.424456  1
  Al  Al122  1  0.400842  0.132517  0.424456  1
  Al  Al123  1  0.043767  0.416986  0.457730  1
  Al  Al124  1  0.471699  0.774437  0.440936  1
  Al  Al125  1  0.543767  0.416986  0.457730  1
  Al  Al126  1  0.971699  0.774437  0.440936  1
  Al  Al127  1  0.057988  0.274442  0.440948  1
  Al  Al128  1  0.557988  0.274442  0.440948  1
  Al  Al129  1  0.486929  0.632519  0.424465  1
  Al  Al130  1  0.628464  0.916990  0.457746  1
  Al  Al131  1  0.986929  0.632519  0.424465  1
  Al  Al132  1  0.128464  0.916990  0.457746  1
  Al  Al133  1  0.162963  0.239062  0.465801  1
  Al  Al134  1  0.662963  0.239062  0.465801  1
  Al  Al135  1  0.591980  0.596356  0.448839  1
  Al  Al136  1  0.019662  0.953733  0.432095  1
  Al  Al137  1  0.091980  0.596356  0.448839  1
  Al  Al138  1  0.519662  0.953733  0.432095  1
  Al  Al139  1  0.308629  0.276273  0.439912  1
  Al  Al140  1  0.808629  0.276273  0.439912  1
  Al  Al141  1  0.451418  0.560978  0.473550  1
  Al  Al142  1  0.879371  0.918606  0.456884  1
  Al  Al143  1  0.951418  0.560978  0.473550  1
  Al  Al144  1  0.379371  0.918606  0.456884  1
  Al  Al145  1  0.578602  0.988399  0.523654  1
  Al  Al146  1  0.078602  0.988399  0.523654  1
  Al  Al147  1  0.007844  0.345973  0.507019  1
  Al  Al148  1  0.436835  0.703426  0.490151  1
  Al  Al149  1  0.507844  0.345973  0.507019  1
  Al  Al150  1  0.936835  0.703426  0.490151  1
  Al  Al151  1  0.473257  0.023751  0.499096  1
  Al  Al152  1  0.973257  0.023751  0.499096  1
  Al  Al153  1  0.902648  0.381207  0.482318  1
  Al  Al154  1  0.045191  0.666295  0.515868  1
  Al  Al155  1  0.402648  0.381207  0.482318  1
  Al  Al156  1  0.545191  0.666295  0.515868  1
  Al  Al157  1  0.613944  0.059064  0.474529  1
  Al  Al158  1  0.113944  0.059064  0.474529  1
  Al  Al159  1  0.757146  0.344037  0.508029  1
  Al  Al160  1  0.185608  0.701487  0.491159  1
  Al  Al161  1  0.257146  0.344037  0.508029  1
  Al  Al162  1  0.685608  0.701487  0.491159  1
  Al  Al163  1  0.771123  0.201491  0.491172  1
  Al  Al164  1  0.271123  0.201491  0.491172  1
  Al  Al165  1  0.200365  0.559066  0.474537  1
  Al  Al166  1  0.342131  0.844038  0.508041  1
  Al  Al167  1  0.700365  0.559066  0.474537  1
  Al  Al168  1  0.842131  0.844038  0.508041  1
  Al  Al169  1  0.876318  0.166258  0.515873  1
  Al  Al170  1  0.376318  0.166258  0.515873  1
  Al  Al171  1  0.305710  0.523713  0.499095  1
  Al  Al172  1  0.733775  0.881170  0.482323  1
  Al  Al173  1  0.805710  0.523713  0.499095  1
  Al  Al174  1  0.233775  0.881170  0.482323  1
  Al  Al175  1  0.021820  0.203427  0.490163  1
  Al  Al176  1  0.521820  0.203427  0.490163  1
  Al  Al177  1  0.165022  0.488400  0.523662  1
  Al  Al178  1  0.593358  0.845977  0.507032  1
  Al  Al179  1  0.665022  0.488400  0.523662  1
  Al  Al180  1  0.093358  0.845977  0.507032  1
  Al  Al181  1  0.292037  0.914945  0.573726  1
  Al  Al182  1  0.792037  0.914945  0.573726  1
  Al  Al183  1  0.720978  0.273023  0.557243  1
  Al  Al184  1  0.150502  0.630475  0.540446  1
  Al  Al185  1  0.220978  0.273023  0.557243  1
  Al  Al186  1  0.650502  0.630475  0.540446  1
  Al  Al187  1  0.186986  0.951108  0.549352  1
  Al  Al188  1  0.686986  0.951108  0.549352  1
  Al  Al189  1  0.616003  0.308403  0.532390  1
  Al  Al190  1  0.759304  0.593732  0.566097  1
  Al  Al191  1  0.116003  0.308403  0.532390  1
  Al  Al192  1  0.259304  0.593732  0.566097  1
  Al  Al193  1  0.327549  0.986487  0.524642  1
  Al  Al194  1  0.827549  0.986487  0.524642  1
  Al  Al195  1  0.470337  0.271192  0.558279  1
  Al  Al196  1  0.899595  0.628859  0.541308  1
  Al  Al197  1  0.970337  0.271192  0.558279  1
  Al  Al198  1  0.399595  0.628859  0.541308  1
  Al  Al199  1  0.484501  0.128858  0.541322  1
  Al  Al200  1  0.984501  0.128858  0.541322  1
  Al  Al201  1  0.914176  0.486488  0.524650  1
  Al  Al202  1  0.056093  0.771197  0.558287  1
  Al  Al203  1  0.414176  0.486488  0.524650  1
  Al  Al204  1  0.556093  0.771197  0.558287  1
  Al  Al205  1  0.589637  0.093690  0.566104  1
  Al  Al206  1  0.089637  0.093690  0.566104  1
  Al  Al207  1  0.019328  0.451065  0.549352  1
  Al  Al208  1  0.447611  0.808367  0.532393  1
  Al  Al209  1  0.519328  0.451065  0.549352  1
  Al  Al210  1  0.947611  0.808367  0.532393  1
  Al  Al211  1  0.735199  0.130478  0.540461  1
  Al  Al212  1  0.235199  0.130478  0.540461  1
  Al  Al213  1  0.878124  0.414947  0.573735  1
  Al  Al214  1  0.307267  0.773028  0.557255  1
  Al  Al215  1  0.378124  0.414947  0.573735  1
  Al  Al216  1  0.807267  0.773028  0.557255  1
  Al  Al217  1  0.008084  0.844000  0.623395  1
  Al  Al218  1  0.508084  0.844000  0.623395  1
  Al  Al219  1  0.433891  0.200377  0.607622  1
  Al  Al220  1  0.864763  0.557399  0.590438  1
  Al  Al221  1  0.933891  0.200377  0.607622  1
  Al  Al222  1  0.364763  0.557399  0.590438  1
  Al  Al223  1  0.901057  0.878424  0.599539  1
  Al  Al224  1  0.401057  0.878424  0.599539  1
  Al  Al225  1  0.329011  0.235123  0.582673  1
  Al  Al226  1  0.473383  0.520352  0.615878  1
  Al  Al227  1  0.829011  0.235123  0.582673  1
  Al  Al228  1  0.973383  0.520352  0.615878  1
  Al  Al229  1  0.041093  0.913940  0.574437  1
  Al  Al230  1  0.541093  0.913940  0.574437  1
  Al  Al231  1  0.184239  0.198768  0.608608  1
  Al  Al232  1  0.613796  0.555399  0.591925  1
  Al  Al233  1  0.684239  0.198768  0.608608  1
  Al  Al234  1  0.113796  0.555399  0.591925  1
  Al  Al235  1  0.196846  0.055403  0.591945  1
  Al  Al236  1  0.696846  0.055403  0.591945  1
  Al  Al237  1  0.628082  0.413941  0.574444  1
  Al  Al238  1  0.769757  0.698766  0.608619  1
  Al  Al239  1  0.128082  0.413941  0.574444  1
  Al  Al240  1  0.269757  0.698766  0.608619  1
  Al  Al241  1  0.302180  0.020309  0.615891  1
  Al  Al242  1  0.802180  0.020309  0.615891  1
  Al  Al243  1  0.732572  0.378390  0.599537  1
  Al  Al244  1  0.161315  0.735077  0.582671  1
  Al  Al245  1  0.232572  0.378390  0.599537  1
  Al  Al246  1  0.661315  0.735077  0.582671  1
  Al  Al247  1  0.447851  0.057393  0.590452  1
  Al  Al248  1  0.947851  0.057393  0.590452  1
  Al  Al249  1  0.591124  0.343994  0.623400  1
  Al  Al250  1  0.021704  0.700388  0.607626  1
  Al  Al251  1  0.091124  0.343994  0.623400  1
  Al  Al252  1  0.521704  0.700388  0.607626  1
  Al  Al253  1  0.722541  0.771468  0.673166  1
  Al  Al254  1  0.222541  0.771468  0.673166  1
  Al  Al255  1  0.146478  0.127635  0.657943  1
  Al  Al256  1  0.578614  0.487559  0.642092  1
  Al  Al257  1  0.646478  0.127635  0.657943  1
  Al  Al258  1  0.078614  0.487559  0.642092  1
  Al  Al259  1  0.616319  0.808270  0.649603  1
  Al  Al260  1  0.116319  0.808270  0.649603  1
  Al  Al261  1  0.042140  0.162448  0.632013  1
  Al  Al262  1  0.186967  0.448249  0.665128  1
  Al  Al263  1  0.542140  0.162448  0.632013  1
  Al  Al264  1  0.686967  0.448249  0.665128  1
  Al  Al265  1  0.754766  0.841114  0.624647  1
  Al  Al266  1  0.254766  0.841114  0.624647  1
  Al  Al267  1  0.892436  0.123995  0.658485  1
  Al  Al268  1  0.328770  0.482013  0.641929  1
  Al  Al269  1  0.392436  0.123995  0.658485  1
  Al  Al270  1  0.828770  0.482013  0.641929  1
  Al  Al271  1  0.908470  0.981995  0.641950  1
  Al  Al272  1  0.408470  0.981995  0.641950  1
  Al  Al273  1  0.341580  0.341132  0.624661  1
  Al  Al274  1  0.486781  0.624006  0.658479  1
  Al  Al275  1  0.841580  0.341132  0.624661  1
  Al  Al276  1  0.986781  0.624006  0.658479  1
  Al  Al277  1  0.016520  0.948230  0.665141  1
  Al  Al278  1  0.516520  0.948230  0.665141  1
  Al  Al279  1  0.447148  0.308250  0.649606  1
  Al  Al280  1  0.875511  0.662425  0.632011  1
  Al  Al281  1  0.947148  0.308250  0.649606  1
  Al  Al282  1  0.375511  0.662425  0.632011  1
  Al  Al283  1  0.164169  0.987552  0.642111  1
  Al  Al284  1  0.664169  0.987552  0.642111  1
  Al  Al285  1  0.304152  0.271510  0.673183  1
  Al  Al286  1  0.736356  0.627620  0.657955  1
  Al  Al287  1  0.804152  0.271510  0.673183  1
  Al  Al288  1  0.236356  0.627620  0.657955  1
  Al  Al289  1  0.436012  0.696318  0.721558  1
  Al  Al290  1  0.936012  0.696318  0.721558  1
  Al  Al291  1  0.860891  0.053040  0.707571  1
  Al  Al292  1  0.292821  0.417085  0.691753  1
  Al  Al293  1  0.360891  0.053040  0.707571  1
  Al  Al294  1  0.792821  0.417085  0.691753  1
  Al  Al295  1  0.325288  0.734180  0.699470  1
  Al  Al296  1  0.825288  0.734180  0.699470  1
  Al  Al297  1  0.750774  0.092484  0.686120  1
  Al  Al298  1  0.895643  0.368780  0.714762  1
  Al  Al299  1  0.250774  0.092484  0.686120  1
  Al  Al300  1  0.395643  0.368780  0.714762  1
  Al  Al301  1  0.468186  0.767206  0.673208  1
  Al  Al302  1  0.968186  0.767206  0.673208  1
  Al  Al303  1  0.589493  0.050031  0.709682  1
  Al  Al304  1  0.042337  0.409804  0.693556  1
  Al  Al305  1  0.089493  0.050031  0.709682  1
  Al  Al306  1  0.542337  0.409804  0.693556  1
  Al  Al307  1  0.622780  0.909810  0.693588  1
  Al  Al308  1  0.122780  0.909810  0.693588  1
  Al  Al309  1  0.054226  0.267198  0.673207  1
  Al  Al310  1  0.215759  0.550006  0.709684  1
  Al  Al311  1  0.554226  0.267198  0.673207  1
  Al  Al312  1  0.715759  0.550006  0.709684  1
  Al  Al313  1  0.728324  0.868549  0.714779  1
  Al  Al314  1  0.228324  0.868549  0.714779  1
  Al  Al315  1  0.164034  0.234164  0.699462  1
  Al  Al316  1  0.596845  0.592416  0.686138  1
  Al  Al317  1  0.664034  0.234164  0.699462  1
  Al  Al318  1  0.096845  0.592416  0.686138  1
  Al  Al319  1  0.879510  0.917108  0.691779  1
  Al  Al320  1  0.379510  0.917108  0.691779  1
  Al  Al321  1  0.015440  0.196292  0.721555  1
  Al  Al322  1  0.447306  0.553144  0.707578  1
  Al  Al323  1  0.515440  0.196292  0.721555  1
  Al  Al324  1  0.947306  0.553144  0.707578  1
  Fe  Fe325  1  0.775494  0.454537  0.317760  1
  Fe  Fe326  1  0.275494  0.454537  0.317760  1
  Fe  Fe327  1  0.201972  0.814935  0.301487  1
  Fe  Fe328  1  0.631771  0.177793  0.285917  1
  Fe  Fe329  1  0.701972  0.814935  0.301487  1
  Fe  Fe330  1  0.131771  0.177793  0.285917  1
  Fe  Fe331  1  0.868236  0.314913  0.301480  1
  Fe  Fe332  1  0.368236  0.314913  0.301480  1
  Fe  Fe333  1  0.301248  0.677796  0.285914  1
  Fe  Fe334  1  0.434307  0.954552  0.317770  1
  Fe  Fe335  1  0.801248  0.677796  0.285914  1
  Fe  Fe336  1  0.934307  0.954552  0.317770  1
  Fe  Fe337  1  0.487617  0.384193  0.365110  1
  Fe  Fe338  1  0.987617  0.384193  0.365110  1
  Fe  Fe339  1  0.914519  0.741135  0.348899  1
  Fe  Fe340  1  0.341562  0.098478  0.331900  1
  Fe  Fe341  1  0.414519  0.741135  0.348899  1
  Fe  Fe342  1  0.841562  0.098478  0.331900  1
  Fe  Fe343  1  0.581863  0.241134  0.348904  1
  Fe  Fe344  1  0.081863  0.241134  0.348904  1
  Fe  Fe345  1  0.012182  0.598541  0.331894  1
  Fe  Fe346  1  0.151833  0.884210  0.365118  1
  Fe  Fe347  1  0.512182  0.598541  0.331894  1
  Fe  Fe348  1  0.651833  0.884210  0.365118  1
  Fe  Fe349  1  0.200513  0.311625  0.415604  1
  Fe  Fe350  1  0.700513  0.311625  0.415604  1
  Fe  Fe351  1  0.628998  0.668849  0.398771  1
  Fe  Fe352  1  0.056804  0.026537  0.382144  1
  Fe  Fe353  1  0.128998  0.668849  0.398771  1
  Fe  Fe354  1  0.556804  0.026537  0.382144  1
  Fe  Fe355  1  0.295094  0.168849  0.398769  1
  Fe  Fe356  1  0.795094  0.168849  0.398769  1
  Fe  Fe357  1  0.724979  0.526537  0.382136  1
  Fe  Fe358  1  0.866355  0.811622  0.415604  1
  Fe  Fe359  1  0.224979  0.526537  0.382136  1
  Fe  Fe360  1  0.366355  0.811622  0.415604  1
  Fe  Fe361  1  0.913810  0.239066  0.465646  1
  Fe  Fe362  1  0.413810  0.239066  0.465646  1
  Fe  Fe363  1  0.342951  0.596469  0.448980  1
  Fe  Fe364  1  0.770767  0.954162  0.432182  1
  Fe  Fe365  1  0.842951  0.596469  0.448980  1
  Fe  Fe366  1  0.270767  0.954162  0.432182  1
  Fe  Fe367  1  0.008760  0.096474  0.448982  1
  Fe  Fe368  1  0.508760  0.096474  0.448982  1
  Fe  Fe369  1  0.438635  0.454161  0.432175  1
  Fe  Fe370  1  0.580494  0.739068  0.465645  1
  Fe  Fe371  1  0.938635  0.454161  0.432175  1
  Fe  Fe372  1  0.080494  0.739068  0.465645  1
  Fe  Fe373  1  0.627183  0.166148  0.515836  1
  Fe  Fe374  1  0.127183  0.166148  0.515836  1
  Fe  Fe375  1  0.056522  0.523728  0.499095  1
  Fe  Fe376  1  0.484767  0.881313  0.482359  1
  Fe  Fe377  1  0.556522  0.523728  0.499095  1
  Fe  Fe378  1  0.984767  0.881313  0.482359  1
  Fe  Fe379  1  0.722444  0.023736  0.499097  1
  Fe  Fe380  1  0.222444  0.023736  0.499097  1
  Fe  Fe381  1  0.151783  0.381316  0.482355  1
  Fe  Fe382  1  0.294200  0.666152  0.515833  1
  Fe  Fe383  1  0.651783  0.381316  0.482355  1
  Fe  Fe384  1  0.794200  0.666152  0.515833  1
  Fe  Fe385  1  0.340331  0.093303  0.566016  1
  Fe  Fe386  1  0.840331  0.093303  0.566016  1
  Fe  Fe387  1  0.770207  0.450991  0.549210  1
  Fe  Fe388  1  0.198472  0.808396  0.532546  1
  Fe  Fe389  1  0.270207  0.450991  0.549210  1
  Fe  Fe390  1  0.698472  0.808396  0.532546  1
  Fe  Fe391  1  0.436016  0.950995  0.549212  1
  Fe  Fe392  1  0.936016  0.950995  0.549212  1
  Fe  Fe393  1  0.865156  0.308398  0.532545  1
  Fe  Fe394  1  0.008200  0.593303  0.566009  1
  Fe  Fe395  1  0.365156  0.308398  0.532545  1
  Fe  Fe396  1  0.508200  0.593303  0.566009  1
  Fe  Fe397  1  0.053987  0.020928  0.616056  1
  Fe  Fe398  1  0.553987  0.020928  0.616056  1
  Fe  Fe399  1  0.483872  0.378615  0.599422  1
  Fe  Fe400  1  0.912611  0.735843  0.582587  1
  Fe  Fe401  1  0.983872  0.378615  0.599422  1
  Fe  Fe402  1  0.412611  0.735843  0.582587  1
  Fe  Fe403  1  0.149968  0.878616  0.599421  1
  Fe  Fe404  1  0.649968  0.878616  0.599421  1
  Fe  Fe405  1  0.578454  0.235839  0.582588  1
  Fe  Fe406  1  0.722162  0.520928  0.616048  1
  Fe  Fe407  1  0.078454  0.235839  0.582588  1
  Fe  Fe408  1  0.222162  0.520928  0.616048  1
  Fe  Fe409  1  0.766785  0.948924  0.666297  1
  Fe  Fe410  1  0.266785  0.948924  0.666297  1
  Fe  Fe411  1  0.197104  0.306330  0.649287  1
  Fe  Fe412  1  0.627134  0.663254  0.633074  1
  Fe  Fe413  1  0.697104  0.306330  0.649287  1
  Fe  Fe414  1  0.127134  0.663254  0.633074  1
  Fe  Fe415  1  0.864448  0.806330  0.649292  1
  Fe  Fe416  1  0.364448  0.806330  0.649292  1
  Fe  Fe417  1  0.291349  0.163272  0.633082  1
  Fe  Fe418  1  0.437405  0.448987  0.666292  1
  Fe  Fe419  1  0.791349  0.163272  0.633082  1
  Fe  Fe420  1  0.937405  0.448987  0.666292  1
  Fe  Fe421  1  0.477719  0.869669  0.712277  1
  Fe  Fe422  1  0.977719  0.869669  0.712277  1
  Fe  Fe423  1  0.910731  0.232551  0.696711  1
  Fe  Fe424  1  0.344659  0.592912  0.680422  1
  Fe  Fe425  1  0.410731  0.232551  0.696711  1
  Fe  Fe426  1  0.844659  0.592912  0.680422  1
  Fe  Fe427  1  0.576994  0.732530  0.696704  1
  Fe  Fe428  1  0.076994  0.732530  0.696704  1
  Fe  Fe429  1  1.003472  0.092927  0.680431  1
  Fe  Fe430  1  0.147195  0.369672  0.712275  1
  Fe  Fe431  1  0.503472  0.092927  0.680431  1
  Fe  Fe432  1  0.647195  0.369672  0.712275  1
