# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.66513411
_cell_length_b   25.35035667
_cell_length_c   44.72164425
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.75803067
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe504
_cell_volume   13053.2013006
_cell_formula_units_Z   504
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
  Fe  Fe1  1  0.959364  0.810766  0.325603  1
  Fe  Fe2  1  0.626030  0.644099  0.325603  1
  Fe  Fe3  1  0.744744  0.813535  0.306788  1
  Fe  Fe4  1  0.959364  0.310766  0.325603  1
  Fe  Fe5  1  0.078077  0.480202  0.306788  1
  Fe  Fe6  1  0.019474  0.645461  0.316130  1
  Fe  Fe7  1  0.292697  0.477432  0.325603  1
  Fe  Fe8  1  0.411410  0.646869  0.306788  1
  Fe  Fe9  1  0.352807  0.812128  0.316130  1
  Fe  Fe10  1  0.626030  0.144099  0.325603  1
  Fe  Fe11  1  0.744744  0.313535  0.306788  1
  Fe  Fe12  1  0.686141  0.478795  0.316130  1
  Fe  Fe13  1  0.078077  0.980202  0.306788  1
  Fe  Fe14  1  0.019474  0.145461  0.316130  1
  Fe  Fe15  1  0.292697  0.977432  0.325603  1
  Fe  Fe16  1  0.411410  0.146869  0.306788  1
  Fe  Fe17  1  0.352807  0.312128  0.316130  1
  Fe  Fe18  1  0.686141  0.978795  0.316130  1
  Fe  Fe19  1  0.215241  0.896215  0.310912  1
  Fe  Fe20  1  0.881907  0.729549  0.310912  1
  Fe  Fe21  1  0.824390  0.894712  0.320451  1
  Fe  Fe22  1  0.215241  0.396215  0.310912  1
  Fe  Fe23  1  0.157723  0.561378  0.320451  1
  Fe  Fe24  1  0.097469  0.726841  0.330680  1
  Fe  Fe25  1  0.548574  0.562882  0.310912  1
  Fe  Fe26  1  0.491057  0.728045  0.320451  1
  Fe  Fe27  1  0.430802  0.893507  0.330680  1
  Fe  Fe28  1  0.881907  0.229549  0.310912  1
  Fe  Fe29  1  0.824390  0.394712  0.320451  1
  Fe  Fe30  1  0.764135  0.560174  0.330680  1
  Fe  Fe31  1  0.157723  0.061378  0.320451  1
  Fe  Fe32  1  0.097469  0.226841  0.330680  1
  Fe  Fe33  1  0.548574  0.062882  0.310912  1
  Fe  Fe34  1  0.491057  0.228045  0.320451  1
  Fe  Fe35  1  0.430802  0.393507  0.330680  1
  Fe  Fe36  1  0.764135  0.060174  0.330680  1
  Fe  Fe37  1  0.793023  0.804660  0.358198  1
  Fe  Fe38  1  0.459690  0.637994  0.358198  1
  Fe  Fe39  1  0.567699  0.809381  0.336117  1
  Fe  Fe40  1  0.793023  0.304660  0.358198  1
  Fe  Fe41  1  0.901032  0.476048  0.336117  1
  Fe  Fe42  1  0.845212  0.641952  0.346150  1
  Fe  Fe43  1  0.126357  0.471327  0.358198  1
  Fe  Fe44  1  0.234365  0.642714  0.336117  1
  Fe  Fe45  1  0.178545  0.808619  0.346150  1
  Fe  Fe46  1  0.459690  0.137994  0.358198  1
  Fe  Fe47  1  0.567699  0.309381  0.336117  1
  Fe  Fe48  1  0.511879  0.475286  0.346150  1
  Fe  Fe49  1  0.901032  0.976048  0.336117  1
  Fe  Fe50  1  0.845212  0.141952  0.346150  1
  Fe  Fe51  1  0.126357  0.971327  0.358198  1
  Fe  Fe52  1  0.234365  0.142714  0.336117  1
  Fe  Fe53  1  0.178545  0.308619  0.346150  1
  Fe  Fe54  1  0.511879  0.975286  0.346150  1
  Fe  Fe55  1  0.040524  0.893195  0.340874  1
  Fe  Fe56  1  0.707191  0.726528  0.340874  1
  Fe  Fe57  1  0.651926  0.889427  0.350503  1
  Fe  Fe58  1  0.040524  0.393195  0.340874  1
  Fe  Fe59  1  -0.014741  0.556094  0.350503  1
  Fe  Fe60  1  0.931905  0.719904  0.363184  1
  Fe  Fe61  1  0.373857  0.559862  0.340874  1
  Fe  Fe62  1  0.318592  0.722761  0.350503  1
  Fe  Fe63  1  0.265238  0.886570  0.363184  1
  Fe  Fe64  1  0.707191  0.226528  0.340874  1
  Fe  Fe65  1  0.651926  0.389427  0.350503  1
  Fe  Fe66  1  0.598572  0.553237  0.363184  1
  Fe  Fe67  1  -0.014741  0.056094  0.350503  1
  Fe  Fe68  1  0.931905  0.219904  0.363184  1
  Fe  Fe69  1  0.373857  0.059862  0.340874  1
  Fe  Fe70  1  0.318592  0.222761  0.350503  1
  Fe  Fe71  1  0.265238  0.386570  0.363184  1
  Fe  Fe72  1  0.598572  0.053237  0.363184  1
  Fe  Fe73  1  0.624088  0.797912  0.389479  1
  Fe  Fe74  1  0.290754  0.631245  0.389479  1
  Fe  Fe75  1  0.402673  0.801795  0.368438  1
  Fe  Fe76  1  0.624088  0.297912  0.389479  1
  Fe  Fe77  1  0.736007  0.468461  0.368438  1
  Fe  Fe78  1  0.680747  0.633452  0.378846  1
  Fe  Fe79  1  0.957421  0.464579  0.389479  1
  Fe  Fe80  1  0.069340  0.635128  0.368438  1
  Fe  Fe81  1  0.014080  0.800118  0.378846  1
  Fe  Fe82  1  0.290754  0.131245  0.389479  1
  Fe  Fe83  1  0.402673  0.301795  0.368438  1
  Fe  Fe84  1  0.347414  0.466785  0.378846  1
  Fe  Fe85  1  0.736007  0.968461  0.368438  1
  Fe  Fe86  1  0.680747  0.133452  0.378846  1
  Fe  Fe87  1  0.957421  0.964579  0.389479  1
  Fe  Fe88  1  0.069340  0.135128  0.368438  1
  Fe  Fe89  1  0.014080  0.300118  0.378846  1
  Fe  Fe90  1  0.347414  0.966785  0.378846  1
  Fe  Fe91  1  0.875558  0.884490  0.373535  1
  Fe  Fe92  1  0.542224  0.717823  0.373535  1
  Fe  Fe93  1  0.486294  0.882316  0.383879  1
  Fe  Fe94  1  0.875558  0.384490  0.373535  1
  Fe  Fe95  1  0.819627  0.548982  0.383879  1
  Fe  Fe96  1  0.763001  0.713502  0.394722  1
  Fe  Fe97  1  0.208891  0.551156  0.373535  1
  Fe  Fe98  1  0.152961  0.715649  0.383879  1
  Fe  Fe99  1  0.096335  0.880168  0.394722  1
  Fe  Fe100  1  0.542224  0.217823  0.373535  1
  Fe  Fe101  1  0.486294  0.382316  0.383879  1
  Fe  Fe102  1  0.429668  0.546835  0.394722  1
  Fe  Fe103  1  0.819627  0.048982  0.383879  1
  Fe  Fe104  1  0.763001  0.213502  0.394722  1
  Fe  Fe105  1  0.208891  0.051156  0.373535  1
  Fe  Fe106  1  0.152961  0.215649  0.383879  1
  Fe  Fe107  1  0.096335  0.380168  0.394722  1
  Fe  Fe108  1  0.429668  0.046835  0.394722  1
  Fe  Fe109  1  0.457403  0.790589  0.421759  1
  Fe  Fe110  1  0.124070  0.623922  0.421759  1
  Fe  Fe111  1  0.234700  0.795506  0.399964  1
  Fe  Fe112  1  0.457403  0.290589  0.421759  1
  Fe  Fe113  1  0.568033  0.462173  0.399964  1
  Fe  Fe114  1  0.513544  0.626388  0.411264  1
  Fe  Fe115  1  0.790736  0.457256  0.421759  1
  Fe  Fe116  1  0.901366  0.628839  0.399964  1
  Fe  Fe117  1  0.846877  0.793054  0.411264  1
  Fe  Fe118  1  0.124070  0.123922  0.421759  1
  Fe  Fe119  1  0.234700  0.295506  0.399964  1
  Fe  Fe120  1  0.180211  0.459721  0.411264  1
  Fe  Fe121  1  0.568033  0.962173  0.399964  1
  Fe  Fe122  1  0.513544  0.126388  0.411264  1
  Fe  Fe123  1  0.790736  0.957256  0.421759  1
  Fe  Fe124  1  0.901366  0.128839  0.399964  1
  Fe  Fe125  1  0.846877  0.293054  0.411264  1
  Fe  Fe126  1  0.180211  0.959721  0.411264  1
  Fe  Fe127  1  0.707032  0.877689  0.405147  1
  Fe  Fe128  1  0.373699  0.711023  0.405147  1
  Fe  Fe129  1  0.319137  0.875097  0.416428  1
  Fe  Fe130  1  0.707032  0.377689  0.405147  1
  Fe  Fe131  1  0.652470  0.541764  0.416428  1
  Fe  Fe132  1  0.596295  0.706254  0.427055  1
  Fe  Fe133  1  0.040366  0.544356  0.405147  1
  Fe  Fe134  1  -0.014196  0.708430  0.416428  1
  Fe  Fe135  1  0.929628  0.872921  0.427055  1
  Fe  Fe136  1  0.373699  0.211023  0.405147  1
  Fe  Fe137  1  0.319137  0.375097  0.416428  1
  Fe  Fe138  1  0.262962  0.539587  0.427055  1
  Fe  Fe139  1  0.652470  0.041764  0.416428  1
  Fe  Fe140  1  0.596295  0.206254  0.427055  1
  Fe  Fe141  1  0.040366  0.044356  0.405147  1
  Fe  Fe142  1  -0.014196  0.208430  0.416428  1
  Fe  Fe143  1  0.929628  0.372921  0.427055  1
  Fe  Fe144  1  0.262962  0.039587  0.427055  1
  Fe  Fe145  1  0.289802  0.783752  0.453705  1
  Fe  Fe146  1  0.956468  0.617086  0.453705  1
  Fe  Fe147  1  0.068320  0.788416  0.432404  1
  Fe  Fe148  1  0.289802  0.283752  0.453705  1
  Fe  Fe149  1  0.401653  0.455083  0.432404  1
  Fe  Fe150  1  0.345630  0.619454  0.443072  1
  Fe  Fe151  1  0.623135  0.450419  0.453705  1
  Fe  Fe152  1  0.734987  0.621749  0.432404  1
  Fe  Fe153  1  0.678963  0.786120  0.443072  1
  Fe  Fe154  1  0.956468  0.117086  0.453705  1
  Fe  Fe155  1  0.068320  0.288416  0.432404  1
  Fe  Fe156  1  0.012297  0.452787  0.443072  1
  Fe  Fe157  1  0.401653  0.955083  0.432404  1
  Fe  Fe158  1  0.345630  0.119454  0.443072  1
  Fe  Fe159  1  0.623135  0.950419  0.453705  1
  Fe  Fe160  1  0.734987  0.121749  0.432404  1
  Fe  Fe161  1  0.678963  0.286120  0.443072  1
  Fe  Fe162  1  0.012297  0.952787  0.443072  1
  Fe  Fe163  1  0.540353  0.870592  0.437621  1
  Fe  Fe164  1  0.207020  0.703925  0.437621  1
  Fe  Fe165  1  0.151227  0.868295  0.448393  1
  Fe  Fe166  1  0.540353  0.370592  0.437621  1
  Fe  Fe167  1  0.484560  0.534961  0.448393  1
  Fe  Fe168  1  0.428628  0.699262  0.459029  1
  Fe  Fe169  1  0.873686  0.537259  0.437621  1
  Fe  Fe170  1  0.817894  0.701628  0.448393  1
  Fe  Fe171  1  0.761961  0.865929  0.459029  1
  Fe  Fe172  1  0.207020  0.203925  0.437621  1
  Fe  Fe173  1  0.151227  0.368295  0.448393  1
  Fe  Fe174  1  0.095295  0.532596  0.459029  1
  Fe  Fe175  1  0.484560  0.034961  0.448393  1
  Fe  Fe176  1  0.428628  0.199262  0.459029  1
  Fe  Fe177  1  0.873686  0.037259  0.437621  1
  Fe  Fe178  1  0.817894  0.201628  0.448393  1
  Fe  Fe179  1  0.761961  0.365929  0.459029  1
  Fe  Fe180  1  0.095295  0.032596  0.459029  1
  Fe  Fe181  1  0.122828  0.776713  0.485979  1
  Fe  Fe182  1  0.789495  0.610046  0.485979  1
  Fe  Fe183  1  0.901104  0.781380  0.464643  1
  Fe  Fe184  1  0.122828  0.276713  0.485979  1
  Fe  Fe185  1  0.234437  0.448046  0.464643  1
  Fe  Fe186  1  0.178524  0.612344  0.475267  1
  Fe  Fe187  1  0.456162  0.443380  0.485979  1
  Fe  Fe188  1  0.567771  0.614713  0.464643  1
  Fe  Fe189  1  0.511858  0.779010  0.475267  1
  Fe  Fe190  1  0.789495  0.110046  0.485979  1
  Fe  Fe191  1  0.901104  0.281380  0.464643  1
  Fe  Fe192  1  0.845191  0.445677  0.475267  1
  Fe  Fe193  1  0.234437  0.948046  0.464643  1
  Fe  Fe194  1  0.178524  0.112344  0.475267  1
  Fe  Fe195  1  0.456162  0.943380  0.485979  1
  Fe  Fe196  1  0.567771  0.114713  0.464643  1
  Fe  Fe197  1  0.511858  0.279010  0.475267  1
  Fe  Fe198  1  0.845191  0.945677  0.475267  1
  Fe  Fe199  1  0.373243  0.863508  0.469923  1
  Fe  Fe200  1  0.039910  0.696841  0.469923  1
  Fe  Fe201  1  -0.015953  0.861226  0.480598  1
  Fe  Fe202  1  0.373243  0.363508  0.469923  1
  Fe  Fe203  1  0.317380  0.527893  0.480598  1
  Fe  Fe204  1  0.261558  0.692218  0.491282  1
  Fe  Fe205  1  0.706577  0.530174  0.469923  1
  Fe  Fe206  1  0.650714  0.694560  0.480598  1
  Fe  Fe207  1  0.594891  0.858885  0.491282  1
  Fe  Fe208  1  0.039910  0.196841  0.469923  1
  Fe  Fe209  1  -0.015953  0.361226  0.480598  1
  Fe  Fe210  1  0.928225  0.525552  0.491282  1
  Fe  Fe211  1  0.317380  0.027893  0.480598  1
  Fe  Fe212  1  0.261558  0.192218  0.491282  1
  Fe  Fe213  1  0.706577  0.030174  0.469923  1
  Fe  Fe214  1  0.650714  0.194560  0.480598  1
  Fe  Fe215  1  0.594891  0.358885  0.491282  1
  Fe  Fe216  1  0.928225  0.025552  0.491282  1
  Fe  Fe217  1  0.955517  0.769692  0.518148  1
  Fe  Fe218  1  0.622184  0.603025  0.518148  1
  Fe  Fe219  1  0.733608  0.774390  0.496673  1
  Fe  Fe220  1  0.955517  0.269692  0.518148  1
  Fe  Fe221  1  0.066941  0.441057  0.496673  1
  Fe  Fe222  1  0.011161  0.605374  0.507371  1
  Fe  Fe223  1  0.288850  0.436358  0.518148  1
  Fe  Fe224  1  0.400274  0.607724  0.496673  1
  Fe  Fe225  1  0.344494  0.772041  0.507371  1
  Fe  Fe226  1  0.622184  0.103025  0.518148  1
  Fe  Fe227  1  0.733608  0.274390  0.496673  1
  Fe  Fe228  1  0.677828  0.438707  0.507371  1
  Fe  Fe229  1  0.066941  0.941057  0.496673  1
  Fe  Fe230  1  0.011161  0.105374  0.507371  1
  Fe  Fe231  1  0.288850  0.936358  0.518148  1
  Fe  Fe232  1  0.400274  0.107724  0.496673  1
  Fe  Fe233  1  0.344494  0.272041  0.507371  1
  Fe  Fe234  1  0.677828  0.938707  0.507371  1
  Fe  Fe235  1  0.205793  0.856554  0.502019  1
  Fe  Fe236  1  0.872460  0.689888  0.502019  1
  Fe  Fe237  1  0.816624  0.854213  0.512705  1
  Fe  Fe238  1  0.205793  0.356554  0.502019  1
  Fe  Fe239  1  0.149957  0.520880  0.512705  1
  Fe  Fe240  1  0.094322  0.685193  0.523474  1
  Fe  Fe241  1  0.539127  0.523221  0.502019  1
  Fe  Fe242  1  0.483290  0.687547  0.512705  1
  Fe  Fe243  1  0.427655  0.851860  0.523474  1
  Fe  Fe244  1  0.872460  0.189888  0.502019  1
  Fe  Fe245  1  0.816624  0.354213  0.512705  1
  Fe  Fe246  1  0.760988  0.518526  0.523474  1
  Fe  Fe247  1  0.149957  0.020880  0.512705  1
  Fe  Fe248  1  0.094322  0.185193  0.523474  1
  Fe  Fe249  1  0.539127  0.023221  0.502019  1
  Fe  Fe250  1  0.483290  0.187547  0.512705  1
  Fe  Fe251  1  0.427655  0.351860  0.523474  1
  Fe  Fe252  1  0.760988  0.018526  0.523474  1
  Fe  Fe253  1  0.788195  0.762670  0.550277  1
  Fe  Fe254  1  0.454862  0.596003  0.550277  1
  Fe  Fe255  1  0.566333  0.767365  0.528823  1
  Fe  Fe256  1  0.788195  0.262670  0.550277  1
  Fe  Fe257  1  0.899666  0.434031  0.528823  1
  Fe  Fe258  1  0.844031  0.598344  0.539591  1
  Fe  Fe259  1  0.121528  0.429337  0.550277  1
  Fe  Fe260  1  0.233000  0.600698  0.528823  1
  Fe  Fe261  1  0.177364  0.765011  0.539591  1
  Fe  Fe262  1  0.454862  0.096003  0.550277  1
  Fe  Fe263  1  0.566333  0.267365  0.528823  1
  Fe  Fe264  1  0.510698  0.431678  0.539591  1
  Fe  Fe265  1  0.899666  0.934031  0.528823  1
  Fe  Fe266  1  0.844031  0.098344  0.539591  1
  Fe  Fe267  1  0.121528  0.929337  0.550277  1
  Fe  Fe268  1  0.233000  0.100698  0.528823  1
  Fe  Fe269  1  0.177364  0.265011  0.539591  1
  Fe  Fe270  1  0.510698  0.931678  0.539591  1
  Fe  Fe271  1  0.038471  0.849533  0.534148  1
  Fe  Fe272  1  0.705138  0.682866  0.534148  1
  Fe  Fe273  1  0.649494  0.847184  0.544925  1
  Fe  Fe274  1  0.038471  0.349533  0.534148  1
  Fe  Fe275  1  -0.017173  0.513850  0.544925  1
  Fe  Fe276  1  0.927047  0.678167  0.555623  1
  Fe  Fe277  1  0.371804  0.516199  0.534148  1
  Fe  Fe278  1  0.316160  0.680517  0.544925  1
  Fe  Fe279  1  0.260381  0.844834  0.555623  1
  Fe  Fe280  1  0.705138  0.182866  0.534148  1
  Fe  Fe281  1  0.649494  0.347184  0.544925  1
  Fe  Fe282  1  0.593714  0.511501  0.555623  1
  Fe  Fe283  1  -0.017173  0.013850  0.544925  1
  Fe  Fe284  1  0.927047  0.178167  0.555623  1
  Fe  Fe285  1  0.371804  0.016199  0.534148  1
  Fe  Fe286  1  0.316160  0.180517  0.544925  1
  Fe  Fe287  1  0.260381  0.344834  0.555623  1
  Fe  Fe288  1  0.593714  0.011501  0.555623  1
  Fe  Fe289  1  0.620745  0.755717  0.582373  1
  Fe  Fe290  1  0.287412  0.589050  0.582373  1
  Fe  Fe291  1  0.399097  0.760339  0.561014  1
  Fe  Fe292  1  0.620745  0.255717  0.582373  1
  Fe  Fe293  1  0.732430  0.427006  0.561014  1
  Fe  Fe294  1  0.676608  0.591331  0.571698  1
  Fe  Fe295  1  0.954078  0.422383  0.582373  1
  Fe  Fe296  1  0.065763  0.593673  0.561014  1
  Fe  Fe297  1  0.009941  0.757998  0.571698  1
  Fe  Fe298  1  0.287412  0.089050  0.582373  1
  Fe  Fe299  1  0.399097  0.260339  0.561014  1
  Fe  Fe300  1  0.343275  0.424665  0.571698  1
  Fe  Fe301  1  0.732430  0.927006  0.561014  1
  Fe  Fe302  1  0.676608  0.091331  0.571698  1
  Fe  Fe303  1  0.954078  0.922383  0.582373  1
  Fe  Fe304  1  0.065763  0.093673  0.561014  1
  Fe  Fe305  1  0.009941  0.257998  0.571698  1
  Fe  Fe306  1  0.343275  0.924665  0.571698  1
  Fe  Fe307  1  0.871160  0.842511  0.566317  1
  Fe  Fe308  1  0.537826  0.675845  0.566317  1
  Fe  Fe309  1  0.482131  0.840214  0.577029  1
  Fe  Fe310  1  0.871160  0.342511  0.566317  1
  Fe  Fe311  1  0.815464  0.506881  0.577029  1
  Fe  Fe312  1  0.759551  0.671178  0.587653  1
  Fe  Fe313  1  0.204493  0.509178  0.566317  1
  Fe  Fe314  1  0.148797  0.673547  0.577029  1
  Fe  Fe315  1  0.092884  0.837845  0.587653  1
  Fe  Fe316  1  0.537826  0.175845  0.566317  1
  Fe  Fe317  1  0.482131  0.340214  0.577029  1
  Fe  Fe318  1  0.426217  0.504511  0.587653  1
  Fe  Fe319  1  0.815464  0.006881  0.577029  1
  Fe  Fe320  1  0.759551  0.171178  0.587653  1
  Fe  Fe321  1  0.204493  0.009178  0.566317  1
  Fe  Fe322  1  0.148797  0.173547  0.577029  1
  Fe  Fe323  1  0.092884  0.337845  0.587653  1
  Fe  Fe324  1  0.426217  1.004511  0.587653  1
  Fe  Fe325  1  0.453635  0.748632  0.614675  1
  Fe  Fe326  1  0.120302  0.581966  0.614675  1
  Fe  Fe327  1  0.232027  0.753295  0.593267  1
  Fe  Fe328  1  0.453635  0.248632  0.614675  1
  Fe  Fe329  1  0.565360  0.419962  0.593267  1
  Fe  Fe330  1  0.509428  0.584263  0.603903  1
  Fe  Fe331  1  0.786969  0.415299  0.614675  1
  Fe  Fe332  1  0.898693  0.586629  0.593267  1
  Fe  Fe333  1  0.842761  0.750930  0.603903  1
  Fe  Fe334  1  0.120302  0.081966  0.614675  1
  Fe  Fe335  1  0.232027  0.253295  0.593267  1
  Fe  Fe336  1  0.176094  0.417596  0.603903  1
  Fe  Fe337  1  0.565360  0.919962  0.593267  1
  Fe  Fe338  1  0.509428  0.084263  0.603903  1
  Fe  Fe339  1  0.786969  0.915299  0.614675  1
  Fe  Fe340  1  0.898693  0.086629  0.593267  1
  Fe  Fe341  1  0.842761  0.250930  0.603903  1
  Fe  Fe342  1  0.176094  0.917596  0.603903  1
  Fe  Fe343  1  0.704186  0.835472  0.598592  1
  Fe  Fe344  1  0.370853  0.668805  0.598592  1
  Fe  Fe345  1  0.315025  0.833104  0.609224  1
  Fe  Fe346  1  0.704186  0.335472  0.598592  1
  Fe  Fe347  1  0.648358  0.499771  0.609224  1
  Fe  Fe348  1  0.592335  0.664142  0.619892  1
  Fe  Fe349  1  0.037520  0.502139  0.598592  1
  Fe  Fe350  1  -0.018308  0.666437  0.609224  1
  Fe  Fe351  1  0.925668  0.830808  0.619892  1
  Fe  Fe352  1  0.370853  0.168805  0.598592  1
  Fe  Fe353  1  0.315025  0.333104  0.609224  1
  Fe  Fe354  1  0.259001  0.497475  0.619892  1
  Fe  Fe355  1  0.648358  0.999771  0.609224  1
  Fe  Fe356  1  0.592335  0.164142  0.619892  1
  Fe  Fe357  1  0.037520  1.002139  0.598592  1
  Fe  Fe358  1  -0.018308  0.166437  0.609224  1
  Fe  Fe359  1  0.925668  0.330808  0.619892  1
  Fe  Fe360  1  0.259001  0.997475  0.619892  1
  Fe  Fe361  1  0.286956  0.741535  0.647149  1
  Fe  Fe362  1  0.953622  0.574868  0.647149  1
  Fe  Fe363  1  0.064360  0.746304  0.625241  1
  Fe  Fe364  1  0.286956  0.241535  0.647149  1
  Fe  Fe365  1  0.397693  0.412970  0.625241  1
  Fe  Fe366  1  0.341518  0.577461  0.635868  1
  Fe  Fe367  1  0.620289  0.408202  0.647149  1
  Fe  Fe368  1  0.731027  0.579637  0.625241  1
  Fe  Fe369  1  0.674851  0.744127  0.635868  1
  Fe  Fe370  1  0.953622  0.074868  0.647149  1
  Fe  Fe371  1  0.064360  0.246304  0.625241  1
  Fe  Fe372  1  0.008184  0.410794  0.635868  1
  Fe  Fe373  1  0.397693  0.912970  0.625241  1
  Fe  Fe374  1  0.341518  0.077461  0.635868  1
  Fe  Fe375  1  0.620289  0.908202  0.647149  1
  Fe  Fe376  1  0.731027  0.079637  0.625241  1
  Fe  Fe377  1  0.674851  0.244127  0.635868  1
  Fe  Fe378  1  0.008184  0.910794  0.635868  1
  Fe  Fe379  1  0.536585  0.828635  0.630537  1
  Fe  Fe380  1  0.203252  0.661969  0.630537  1
  Fe  Fe381  1  0.147111  0.826170  0.641032  1
  Fe  Fe382  1  0.536585  0.328635  0.630537  1
  Fe  Fe383  1  0.480444  0.492837  0.641032  1
  Fe  Fe384  1  0.425955  0.657052  0.652333  1
  Fe  Fe385  1  0.869918  0.495302  0.630537  1
  Fe  Fe386  1  0.813778  0.659503  0.641032  1
  Fe  Fe387  1  0.759288  0.823718  0.652333  1
  Fe  Fe388  1  0.203252  0.161969  0.630537  1
  Fe  Fe389  1  0.147111  0.326170  0.641032  1
  Fe  Fe390  1  0.092622  0.490385  0.652333  1
  Fe  Fe391  1  0.480444  0.992837  0.641032  1
  Fe  Fe392  1  0.425955  0.157052  0.652333  1
  Fe  Fe393  1  0.869918  0.995302  0.630537  1
  Fe  Fe394  1  0.813778  0.159503  0.641032  1
  Fe  Fe395  1  0.759288  0.323718  0.652333  1
  Fe  Fe396  1  0.092622  0.990385  0.652333  1
  Fe  Fe397  1  0.118430  0.734735  0.678761  1
  Fe  Fe398  1  0.785097  0.568068  0.678761  1
  Fe  Fe399  1  0.897653  0.739056  0.657574  1
  Fe  Fe400  1  0.118430  0.234735  0.678761  1
  Fe  Fe401  1  0.230987  0.405723  0.657574  1
  Fe  Fe402  1  0.174361  0.570242  0.668418  1
  Fe  Fe403  1  0.451764  0.401401  0.678761  1
  Fe  Fe404  1  0.564320  0.572389  0.657574  1
  Fe  Fe405  1  0.507694  0.736909  0.668418  1
  Fe  Fe406  1  0.785097  0.068068  0.678761  1
  Fe  Fe407  1  0.897653  0.239056  0.657574  1
  Fe  Fe408  1  0.841028  0.403575  0.668418  1
  Fe  Fe409  1  0.230987  0.905723  0.657574  1
  Fe  Fe410  1  0.174361  0.070242  0.668418  1
  Fe  Fe411  1  0.451764  0.901401  0.678761  1
  Fe  Fe412  1  0.564320  0.072389  0.657574  1
  Fe  Fe413  1  0.507694  0.236909  0.668418  1
  Fe  Fe414  1  0.841028  0.903575  0.668418  1
  Fe  Fe415  1  0.369900  0.821312  0.662817  1
  Fe  Fe416  1  0.036567  0.654646  0.662817  1
  Fe  Fe417  1  -0.020092  0.819106  0.673450  1
  Fe  Fe418  1  0.369900  0.321312  0.662817  1
  Fe  Fe419  1  0.313241  0.485773  0.673450  1
  Fe  Fe420  1  0.257982  0.650763  0.683858  1
  Fe  Fe421  1  0.703234  0.487979  0.662817  1
  Fe  Fe422  1  0.646575  0.652439  0.673450  1
  Fe  Fe423  1  0.591315  0.817430  0.683858  1
  Fe  Fe424  1  0.036567  0.154646  0.662817  1
  Fe  Fe425  1  -0.020092  0.319106  0.673450  1
  Fe  Fe426  1  0.924648  0.484096  0.683858  1
  Fe  Fe427  1  0.313241  0.985773  0.673450  1
  Fe  Fe428  1  0.257982  0.150763  0.683858  1
  Fe  Fe429  1  0.703234  0.987979  0.662817  1
  Fe  Fe430  1  0.646575  0.152439  0.673450  1
  Fe  Fe431  1  0.591315  0.317430  0.683858  1
  Fe  Fe432  1  0.924648  0.984096  0.683858  1
  Fe  Fe433  1  0.953464  0.726029  0.711423  1
  Fe  Fe434  1  0.620131  0.559363  0.711423  1
  Fe  Fe435  1  0.728750  0.732654  0.689112  1
  Fe  Fe436  1  0.953464  0.226029  0.711423  1
  Fe  Fe437  1  0.062083  0.399321  0.689112  1
  Fe  Fe438  1  0.008729  0.563130  0.701793  1
  Fe  Fe439  1  0.286797  0.392696  0.711423  1
  Fe  Fe440  1  0.395416  0.565987  0.689112  1
  Fe  Fe441  1  0.342062  0.729797  0.701793  1
  Fe  Fe442  1  0.620131  0.059363  0.711423  1
  Fe  Fe443  1  0.728750  0.232654  0.689112  1
  Fe  Fe444  1  0.675396  0.396464  0.701793  1
  Fe  Fe445  1  0.062083  0.899321  0.689112  1
  Fe  Fe446  1  0.008729  0.063130  0.701793  1
  Fe  Fe447  1  0.286797  0.892696  0.711423  1
  Fe  Fe448  1  0.395416  0.065987  0.689112  1
  Fe  Fe449  1  0.342062  0.229797  0.701793  1
  Fe  Fe450  1  0.675396  0.896464  0.701793  1
  Fe  Fe451  1  0.200965  0.814564  0.694098  1
  Fe  Fe452  1  0.867632  0.647897  0.694098  1
  Fe  Fe453  1  0.815443  0.810605  0.706146  1
  Fe  Fe454  1  0.200965  0.314564  0.694098  1
  Fe  Fe455  1  0.148776  0.477272  0.706146  1
  Fe  Fe456  1  0.092956  0.643177  0.716179  1
  Fe  Fe457  1  0.534298  0.481231  0.694098  1
  Fe  Fe458  1  0.482109  0.643939  0.706146  1
  Fe  Fe459  1  0.426289  0.809844  0.716179  1
  Fe  Fe460  1  0.867632  0.147897  0.694098  1
  Fe  Fe461  1  0.815443  0.310605  0.706146  1
  Fe  Fe462  1  0.759623  0.476510  0.716179  1
  Fe  Fe463  1  0.148776  0.977272  0.706146  1
  Fe  Fe464  1  0.092956  0.143177  0.716179  1
  Fe  Fe465  1  0.534298  0.981231  0.694098  1
  Fe  Fe466  1  0.482109  0.143939  0.706146  1
  Fe  Fe467  1  0.426289  0.309844  0.716179  1
  Fe  Fe468  1  0.759623  0.976510  0.716179  1
  Fe  Fe469  1  0.778747  0.723009  0.741384  1
  Fe  Fe470  1  0.445414  0.556342  0.741384  1
  Fe  Fe471  1  0.563186  0.725717  0.721617  1
  Fe  Fe472  1  0.778747  0.223009  0.741384  1
  Fe  Fe473  1  0.896520  0.392384  0.721617  1
  Fe  Fe474  1  0.836265  0.557846  0.731845  1
  Fe  Fe475  1  0.112081  0.389676  0.741384  1
  Fe  Fe476  1  0.229853  0.559050  0.721617  1
  Fe  Fe477  1  0.169598  0.724513  0.731845  1
  Fe  Fe478  1  0.445414  0.056342  0.741384  1
  Fe  Fe479  1  0.563186  0.225717  0.721617  1
  Fe  Fe480  1  0.502931  0.391179  0.731845  1
  Fe  Fe481  1  0.896520  0.892384  0.721617  1
  Fe  Fe482  1  0.836265  0.057846  0.731845  1
  Fe  Fe483  1  0.112081  0.889676  0.741384  1
  Fe  Fe484  1  0.229853  0.059050  0.721617  1
  Fe  Fe485  1  0.169598  0.224513  0.731845  1
  Fe  Fe486  1  0.502931  0.891179  0.731845  1
  Fe  Fe487  1  0.034625  0.808459  0.726693  1
  Fe  Fe488  1  0.701291  0.641792  0.726693  1
  Fe  Fe489  1  0.641181  0.807096  0.736166  1
  Fe  Fe490  1  0.034625  0.308459  0.726693  1
  Fe  Fe491  1  0.974514  0.473763  0.736166  1
  Fe  Fe492  1  0.915911  0.639022  0.745508  1
  Fe  Fe493  1  0.367958  0.475125  0.726693  1
  Fe  Fe494  1  0.307847  0.640430  0.736166  1
  Fe  Fe495  1  0.249244  0.805689  0.745508  1
  Fe  Fe496  1  0.701291  0.141792  0.726693  1
  Fe  Fe497  1  0.641181  0.307096  0.736166  1
  Fe  Fe498  1  0.582578  0.472356  0.745508  1
  Fe  Fe499  1  0.974514  0.973763  0.736166  1
  Fe  Fe500  1  0.915911  0.139022  0.745508  1
  Fe  Fe501  1  0.367958  0.975125  0.726693  1
  Fe  Fe502  1  0.307847  0.140430  0.736166  1
  Fe  Fe503  1  0.249244  0.305689  0.745508  1
  Fe  Fe504  1  0.582578  0.972356  0.745508  1
