# generated using pymatgen
data_Fe431C144
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.41839898
_cell_length_b   15.44525772
_cell_length_c   20.39753836
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe431C144
_chemical_formula_sum   'Fe431 C144'
_cell_volume   5802.62886965
_cell_formula_units_Z   1
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  0.015284  0.055096  0.306272  1
  Fe  Fe2  1  0.015278  0.056039  0.639475  1
  Fe  Fe3  1  0.015344  0.055055  0.972526  1
  Fe  Fe4  1  0.015506  0.388671  0.305905  1
  Fe  Fe5  1  0.015444  0.389307  0.639373  1
  Fe  Fe6  1  0.015538  0.389106  0.972785  1
  Fe  Fe7  1  0.015545  0.723816  0.305852  1
  Fe  Fe8  1  0.015492  0.722530  0.639201  1
  Fe  Fe9  1  0.015690  0.723187  0.972789  1
  Fe  Fe10  1  0.265837  0.055625  0.306025  1
  Fe  Fe11  1  0.265493  0.056057  0.639515  1
  Fe  Fe12  1  0.266072  0.055269  0.972004  1
  Fe  Fe13  1  0.265267  0.388351  0.305882  1
  Fe  Fe14  1  0.265387  0.389305  0.639354  1
  Fe  Fe15  1  0.265264  0.388839  0.972813  1
  Fe  Fe16  1  0.265132  0.723737  0.305772  1
  Fe  Fe17  1  0.265366  0.722515  0.639044  1
  Fe  Fe18  1  0.265304  0.723264  0.972924  1
  Fe  Fe19  1  0.515753  0.056256  0.305804  1
  Fe  Fe20  1  0.515463  0.056117  0.639323  1
  Fe  Fe21  1  0.515743  0.056247  0.972390  1
  Fe  Fe22  1  0.515286  0.389505  0.306042  1
  Fe  Fe23  1  0.515432  0.389457  0.639352  1
  Fe  Fe24  1  0.515609  0.389591  0.972513  1
  Fe  Fe25  1  0.515216  0.722070  0.305878  1
  Fe  Fe26  1  0.515333  0.722296  0.639215  1
  Fe  Fe27  1  0.515299  0.721887  0.972899  1
  Fe  Fe28  1  0.765183  0.056006  0.305963  1
  Fe  Fe29  1  0.765276  0.056111  0.639345  1
  Fe  Fe30  1  0.765117  0.056303  0.972637  1
  Fe  Fe31  1  0.765454  0.389938  0.306009  1
  Fe  Fe32  1  0.765489  0.389463  0.639312  1
  Fe  Fe33  1  0.765784  0.389405  0.972710  1
  Fe  Fe34  1  0.765637  0.721609  0.306021  1
  Fe  Fe35  1  0.765488  0.722229  0.639347  1
  Fe  Fe36  1  0.765658  0.721981  0.972666  1
  Fe  Fe37  1  0.230327  0.216462  0.187525  1
  Fe  Fe38  1  0.232484  0.222366  0.522538  1
  Fe  Fe39  1  0.232540  0.222423  0.855629  1
  Fe  Fe40  1  0.232440  0.556390  0.188836  1
  Fe  Fe41  1  0.232499  0.555931  0.522222  1
  Fe  Fe42  1  0.232488  0.556162  0.856114  1
  Fe  Fe43  1  0.233292  0.895291  0.188079  1
  Fe  Fe44  1  0.232689  0.889776  0.522185  1
  Fe  Fe45  1  0.232605  0.889207  0.855589  1
  Fe  Fe46  1  0.482676  0.222765  0.188921  1
  Fe  Fe47  1  0.482705  0.222857  0.522440  1
  Fe  Fe48  1  0.482633  0.222790  0.855675  1
  Fe  Fe49  1  0.482196  0.556239  0.188775  1
  Fe  Fe50  1  0.482260  0.555805  0.522339  1
  Fe  Fe51  1  0.482405  0.555768  0.855808  1
  Fe  Fe52  1  0.482442  0.889129  0.188979  1
  Fe  Fe53  1  0.482545  0.889314  0.522292  1
  Fe  Fe54  1  0.482629  0.889142  0.855649  1
  Fe  Fe55  1  0.732447  0.223498  0.189146  1
  Fe  Fe56  1  0.732484  0.223199  0.522441  1
  Fe  Fe57  1  0.732630  0.223040  0.855820  1
  Fe  Fe58  1  0.732813  0.555555  0.188792  1
  Fe  Fe59  1  0.732532  0.555726  0.522355  1
  Fe  Fe60  1  0.732645  0.555588  0.855777  1
  Fe  Fe61  1  0.732409  0.888739  0.188906  1
  Fe  Fe62  1  0.732493  0.888955  0.522378  1
  Fe  Fe63  1  0.732534  0.889115  0.855665  1
  Fe  Fe64  1  0.982631  0.221694  0.188828  1
  Fe  Fe65  1  0.982165  0.222771  0.522701  1
  Fe  Fe66  1  0.982558  0.222266  0.856391  1
  Fe  Fe67  1  0.983504  0.556521  0.188525  1
  Fe  Fe68  1  0.982837  0.556118  0.522170  1
  Fe  Fe69  1  0.982691  0.556098  0.855956  1
  Fe  Fe70  1  0.982281  0.889164  0.188904  1
  Fe  Fe71  1  0.982524  0.889002  0.522371  1
  Fe  Fe72  1  0.982533  0.889182  0.855600  1
  Fe  Fe73  1  0.158720  0.110925  0.470284  1
  Fe  Fe74  1  0.158705  0.110271  0.803132  1
  Fe  Fe75  1  0.158342  0.439540  0.138160  1
  Fe  Fe76  1  0.158758  0.443096  0.469434  1
  Fe  Fe77  1  0.158783  0.443481  0.803260  1
  Fe  Fe78  1  0.158922  0.777820  0.136923  1
  Fe  Fe79  1  0.158815  0.776954  0.469528  1
  Fe  Fe80  1  0.158841  0.776942  0.802983  1
  Fe  Fe81  1  0.409281  0.110185  0.135970  1
  Fe  Fe82  1  0.408912  0.110450  0.469894  1
  Fe  Fe83  1  0.408893  0.110188  0.803134  1
  Fe  Fe84  1  0.408660  0.443591  0.136329  1
  Fe  Fe85  1  0.408704  0.443538  0.469523  1
  Fe  Fe86  1  0.408600  0.443717  0.803240  1
  Fe  Fe87  1  0.407620  0.777225  0.136984  1
  Fe  Fe88  1  0.408625  0.776744  0.469512  1
  Fe  Fe89  1  0.408805  0.776694  0.803029  1
  Fe  Fe90  1  0.658701  0.109830  0.136534  1
  Fe  Fe91  1  0.658661  0.109910  0.469815  1
  Fe  Fe92  1  0.658771  0.110125  0.803159  1
  Fe  Fe93  1  0.658863  0.444514  0.136418  1
  Fe  Fe94  1  0.658819  0.444179  0.469717  1
  Fe  Fe95  1  0.658853  0.443956  0.803087  1
  Fe  Fe96  1  0.658573  0.776361  0.136414  1
  Fe  Fe97  1  0.658687  0.776621  0.469717  1
  Fe  Fe98  1  0.658801  0.776503  0.803129  1
  Fe  Fe99  1  0.907997  0.109803  0.136257  1
  Fe  Fe100  1  0.908361  0.109874  0.470061  1
  Fe  Fe101  1  0.908611  0.110159  0.803127  1
  Fe  Fe102  1  0.909066  0.442946  0.136667  1
  Fe  Fe103  1  0.908912  0.443797  0.469639  1
  Fe  Fe104  1  0.908963  0.443227  0.803421  1
  Fe  Fe105  1  0.909371  0.777573  0.136606  1
  Fe  Fe106  1  0.908940  0.777056  0.469603  1
  Fe  Fe107  1  0.908858  0.776885  0.803038  1
  Fe  Fe108  1  0.017983  0.143659  0.078346  1
  Fe  Fe109  1  0.018985  0.143174  0.412282  1
  Fe  Fe110  1  0.019534  0.143356  0.745137  1
  Fe  Fe111  1  0.019881  0.476212  0.078383  1
  Fe  Fe112  1  0.020085  0.476556  0.411327  1
  Fe  Fe113  1  0.020072  0.476555  0.745074  1
  Fe  Fe114  1  0.020298  0.811044  0.078630  1
  Fe  Fe115  1  0.020060  0.810664  0.411363  1
  Fe  Fe116  1  0.019844  0.810002  0.744879  1
  Fe  Fe117  1  0.267574  0.146814  0.078284  1
  Fe  Fe118  1  0.269942  0.144096  0.411729  1
  Fe  Fe119  1  0.269670  0.143577  0.745055  1
  Fe  Fe120  1  0.268924  0.475695  0.078521  1
  Fe  Fe121  1  0.269740  0.475958  0.411395  1
  Fe  Fe122  1  0.269844  0.476747  0.745071  1
  Fe  Fe123  1  0.269170  0.811514  0.078502  1
  Fe  Fe124  1  0.269695  0.810712  0.411310  1
  Fe  Fe125  1  0.270056  0.809765  0.744826  1
  Fe  Fe126  1  0.520088  0.143534  0.078262  1
  Fe  Fe127  1  0.519854  0.143948  0.411621  1
  Fe  Fe128  1  0.519907  0.143455  0.745013  1
  Fe  Fe129  1  0.519563  0.477077  0.078304  1
  Fe  Fe130  1  0.519572  0.476747  0.411577  1
  Fe  Fe131  1  0.519539  0.477018  0.744992  1
  Fe  Fe132  1  0.519221  0.810058  0.078292  1
  Fe  Fe133  1  0.519563  0.809732  0.411653  1
  Fe  Fe134  1  0.519905  0.809515  0.744948  1
  Fe  Fe135  1  0.769697  0.143215  0.078313  1
  Fe  Fe136  1  0.769378  0.143470  0.411759  1
  Fe  Fe137  1  0.769689  0.143379  0.745012  1
  Fe  Fe138  1  0.770087  0.477231  0.078404  1
  Fe  Fe139  1  0.770008  0.477247  0.411494  1
  Fe  Fe140  1  0.770100  0.476819  0.745061  1
  Fe  Fe141  1  0.769559  0.809606  0.078249  1
  Fe  Fe142  1  0.769624  0.809601  0.411760  1
  Fe  Fe143  1  0.769693  0.809727  0.744982  1
  Fe  Fe144  1  0.213259  0.229003  0.303294  1
  Fe  Fe145  1  0.214194  0.230760  0.636636  1
  Fe  Fe146  1  0.214123  0.230211  0.969444  1
  Fe  Fe147  1  0.214313  0.564410  0.303089  1
  Fe  Fe148  1  0.214070  0.564076  0.636141  1
  Fe  Fe149  1  0.214247  0.564451  0.970240  1
  Fe  Fe150  1  0.214079  0.899372  0.301786  1
  Fe  Fe151  1  0.214251  0.897550  0.636416  1
  Fe  Fe152  1  0.214051  0.897356  0.969320  1
  Fe  Fe153  1  0.464040  0.230433  0.302732  1
  Fe  Fe154  1  0.464282  0.231052  0.636583  1
  Fe  Fe155  1  0.464147  0.230636  0.969707  1
  Fe  Fe156  1  0.463779  0.564244  0.303040  1
  Fe  Fe157  1  0.463940  0.563909  0.636210  1
  Fe  Fe158  1  0.463828  0.564200  0.970066  1
  Fe  Fe159  1  0.464066  0.897700  0.303212  1
  Fe  Fe160  1  0.464238  0.897356  0.636363  1
  Fe  Fe161  1  0.464264  0.897015  0.969544  1
  Fe  Fe162  1  0.714042  0.231544  0.303153  1
  Fe  Fe163  1  0.714175  0.231167  0.636448  1
  Fe  Fe164  1  0.714388  0.231384  0.970011  1
  Fe  Fe165  1  0.714149  0.563791  0.302936  1
  Fe  Fe166  1  0.714145  0.563841  0.636347  1
  Fe  Fe167  1  0.714397  0.563633  0.969702  1
  Fe  Fe168  1  0.713935  0.896871  0.303140  1
  Fe  Fe169  1  0.714172  0.897218  0.636496  1
  Fe  Fe170  1  0.714043  0.897151  0.969793  1
  Fe  Fe171  1  0.963605  0.230509  0.303216  1
  Fe  Fe172  1  0.964099  0.230812  0.636531  1
  Fe  Fe173  1  0.965120  0.230004  0.970333  1
  Fe  Fe174  1  0.964791  0.564430  0.302975  1
  Fe  Fe175  1  0.964253  0.564137  0.636219  1
  Fe  Fe176  1  0.964564  0.564406  0.970089  1
  Fe  Fe177  1  0.963641  0.897144  0.302933  1
  Fe  Fe178  1  0.964171  0.897292  0.636596  1
  Fe  Fe179  1  0.963896  0.897380  0.969624  1
  Fe  Fe180  1  0.032530  0.062928  0.193486  1
  Fe  Fe181  1  0.033489  0.064114  0.525424  1
  Fe  Fe182  1  0.033652  0.063829  0.858527  1
  Fe  Fe183  1  0.034655  0.395927  0.191665  1
  Fe  Fe184  1  0.033820  0.397442  0.525332  1
  Fe  Fe185  1  0.033798  0.397496  0.858655  1
  Fe  Fe186  1  0.033938  0.733322  0.190831  1
  Fe  Fe187  1  0.033995  0.730826  0.525134  1
  Fe  Fe188  1  0.033953  0.730896  0.858909  1
  Fe  Fe189  1  0.284799  0.064480  0.192265  1
  Fe  Fe190  1  0.284016  0.064272  0.525463  1
  Fe  Fe191  1  0.283846  0.063874  0.858284  1
  Fe  Fe192  1  0.283209  0.395928  0.191550  1
  Fe  Fe193  1  0.283685  0.397346  0.525308  1
  Fe  Fe194  1  0.283648  0.397492  0.858704  1
  Fe  Fe195  1  0.283286  0.732397  0.191335  1
  Fe  Fe196  1  0.283664  0.730850  0.524972  1
  Fe  Fe197  1  0.283804  0.730927  0.858949  1
  Fe  Fe198  1  0.533943  0.064461  0.191776  1
  Fe  Fe199  1  0.533884  0.064303  0.525217  1
  Fe  Fe200  1  0.533798  0.064273  0.858462  1
  Fe  Fe201  1  0.533915  0.397824  0.191943  1
  Fe  Fe202  1  0.533789  0.397695  0.525296  1
  Fe  Fe203  1  0.533763  0.397548  0.858640  1
  Fe  Fe204  1  0.533458  0.729970  0.192036  1
  Fe  Fe205  1  0.533585  0.730409  0.525235  1
  Fe  Fe206  1  0.533806  0.730366  0.858626  1
  Fe  Fe207  1  0.783103  0.064408  0.191956  1
  Fe  Fe208  1  0.783571  0.064199  0.525229  1
  Fe  Fe209  1  0.783582  0.064280  0.858528  1
  Fe  Fe210  1  0.784252  0.397805  0.191851  1
  Fe  Fe211  1  0.783869  0.397817  0.525251  1
  Fe  Fe212  1  0.784012  0.397401  0.858763  1
  Fe  Fe213  1  0.784041  0.729868  0.192028  1
  Fe  Fe214  1  0.783865  0.730278  0.525395  1
  Fe  Fe215  1  0.783914  0.730382  0.858617  1
  Fe  Fe216  1  0.229189  0.310472  0.082960  1
  Fe  Fe217  1  0.227925  0.309584  0.416757  1
  Fe  Fe218  1  0.228264  0.310103  0.750128  1
  Fe  Fe219  1  0.228667  0.643835  0.083556  1
  Fe  Fe220  1  0.227973  0.643201  0.416272  1
  Fe  Fe221  1  0.227822  0.643369  0.750173  1
  Fe  Fe222  1  0.228233  0.979085  0.083438  1
  Fe  Fe223  1  0.229111  0.977870  0.417124  1
  Fe  Fe224  1  0.228637  0.976606  0.749760  1
  Fe  Fe225  1  0.478431  0.310427  0.083283  1
  Fe  Fe226  1  0.478230  0.310183  0.416778  1
  Fe  Fe227  1  0.478288  0.310236  0.750068  1
  Fe  Fe228  1  0.478083  0.643715  0.083545  1
  Fe  Fe229  1  0.477490  0.643370  0.416415  1
  Fe  Fe230  1  0.477757  0.643297  0.750128  1
  Fe  Fe231  1  0.478577  0.976469  0.083251  1
  Fe  Fe232  1  0.478525  0.976855  0.416716  1
  Fe  Fe233  1  0.478370  0.976492  0.749967  1
  Fe  Fe234  1  0.728365  0.310643  0.083426  1
  Fe  Fe235  1  0.728251  0.310664  0.416679  1
  Fe  Fe236  1  0.728203  0.310348  0.750078  1
  Fe  Fe237  1  0.728354  0.643070  0.083381  1
  Fe  Fe238  1  0.728219  0.643326  0.416752  1
  Fe  Fe239  1  0.728189  0.643051  0.750044  1
  Fe  Fe240  1  0.727992  0.976259  0.083413  1
  Fe  Fe241  1  0.728053  0.976263  0.416728  1
  Fe  Fe242  1  0.728107  0.976491  0.750066  1
  Fe  Fe243  1  0.978487  0.308965  0.083442  1
  Fe  Fe244  1  0.978082  0.310297  0.416745  1
  Fe  Fe245  1  0.978085  0.309997  0.750184  1
  Fe  Fe246  1  0.978953  0.643422  0.083455  1
  Fe  Fe247  1  0.978744  0.643341  0.416604  1
  Fe  Fe248  1  0.978244  0.643409  0.750141  1
  Fe  Fe249  1  0.977250  0.976829  0.083410  1
  Fe  Fe250  1  0.977895  0.976733  0.416884  1
  Fe  Fe251  1  0.978172  0.976536  0.749971  1
  Fe  Fe252  1  0.107643  0.282318  0.139307  1
  Fe  Fe253  1  0.107425  0.285029  0.472717  1
  Fe  Fe254  1  0.107565  0.284818  0.806037  1
  Fe  Fe255  1  0.107935  0.617364  0.139602  1
  Fe  Fe256  1  0.107612  0.618167  0.472210  1
  Fe  Fe257  1  0.107694  0.618441  0.806084  1
  Fe  Fe258  1  0.107059  0.955159  0.139334  1
  Fe  Fe259  1  0.107605  0.952026  0.473061  1
  Fe  Fe260  1  0.107428  0.951745  0.805799  1
  Fe  Fe261  1  0.358096  0.285079  0.138751  1
  Fe  Fe262  1  0.357558  0.285299  0.472702  1
  Fe  Fe263  1  0.357553  0.285059  0.806038  1
  Fe  Fe264  1  0.357216  0.617150  0.139639  1
  Fe  Fe265  1  0.357392  0.618148  0.472326  1
  Fe  Fe266  1  0.357375  0.618479  0.805999  1
  Fe  Fe267  1  0.356959  0.953773  0.139362  1
  Fe  Fe268  1  0.357657  0.951817  0.472681  1
  Fe  Fe269  1  0.357698  0.951581  0.805878  1
  Fe  Fe270  1  0.607899  0.285429  0.139398  1
  Fe  Fe271  1  0.607642  0.285313  0.472682  1
  Fe  Fe272  1  0.607644  0.285300  0.806059  1
  Fe  Fe273  1  0.607146  0.619033  0.139353  1
  Fe  Fe274  1  0.607343  0.618694  0.472607  1
  Fe  Fe275  1  0.607458  0.618522  0.806014  1
  Fe  Fe276  1  0.607525  0.950720  0.139228  1
  Fe  Fe277  1  0.607572  0.951282  0.472650  1
  Fe  Fe278  1  0.607604  0.951298  0.805964  1
  Fe  Fe279  1  0.857600  0.285070  0.139439  1
  Fe  Fe280  1  0.857529  0.285128  0.472724  1
  Fe  Fe281  1  0.857580  0.285197  0.806072  1
  Fe  Fe282  1  0.858217  0.618821  0.139704  1
  Fe  Fe283  1  0.857644  0.618714  0.472482  1
  Fe  Fe284  1  0.857829  0.618333  0.806138  1
  Fe  Fe285  1  0.856723  0.951136  0.138846  1
  Fe  Fe286  1  0.857450  0.951321  0.472812  1
  Fe  Fe287  1  0.857393  0.951449  0.805914  1
  Fe  Fe288  1  0.140535  0.117608  0.024770  1
  Fe  Fe289  1  0.140134  0.119158  0.356186  1
  Fe  Fe290  1  0.140372  0.118436  0.689122  1
  Fe  Fe291  1  0.140349  0.450943  0.022583  1
  Fe  Fe292  1  0.140378  0.450616  0.355473  1
  Fe  Fe293  1  0.140387  0.451758  0.689156  1
  Fe  Fe294  1  0.140353  0.785504  0.022424  1
  Fe  Fe295  1  0.140317  0.785459  0.355399  1
  Fe  Fe296  1  0.140509  0.785013  0.688999  1
  Fe  Fe297  1  0.390528  0.118052  0.021972  1
  Fe  Fe298  1  0.390507  0.118807  0.355780  1
  Fe  Fe299  1  0.390484  0.118295  0.689060  1
  Fe  Fe300  1  0.390362  0.451577  0.022521  1
  Fe  Fe301  1  0.390208  0.451259  0.355458  1
  Fe  Fe302  1  0.390283  0.451936  0.689166  1
  Fe  Fe303  1  0.390137  0.785179  0.022784  1
  Fe  Fe304  1  0.389419  0.785200  0.354977  1
  Fe  Fe305  1  0.390375  0.784903  0.688935  1
  Fe  Fe306  1  0.640432  0.118236  0.022283  1
  Fe  Fe307  1  0.640165  0.117890  0.355671  1
  Fe  Fe308  1  0.640372  0.118208  0.689044  1
  Fe  Fe309  1  0.640478  0.452429  0.022297  1
  Fe  Fe310  1  0.640431  0.452663  0.355509  1
  Fe  Fe311  1  0.640411  0.452139  0.689022  1
  Fe  Fe312  1  0.640293  0.784399  0.022443  1
  Fe  Fe313  1  0.639994  0.784515  0.355604  1
  Fe  Fe314  1  0.640361  0.784762  0.689008  1
  Fe  Fe315  1  0.890455  0.118473  0.022398  1
  Fe  Fe316  1  0.889653  0.117835  0.355842  1
  Fe  Fe317  1  0.890217  0.118272  0.689004  1
  Fe  Fe318  1  0.890567  0.450914  0.022303  1
  Fe  Fe319  1  0.890640  0.451942  0.355627  1
  Fe  Fe320  1  0.890508  0.451857  0.689157  1
  Fe  Fe321  1  0.890484  0.785317  0.022414  1
  Fe  Fe322  1  0.890499  0.785140  0.355593  1
  Fe  Fe323  1  0.890484  0.784975  0.689041  1
  Fe  Fe324  1  0.101329  0.196857  0.244980  1
  Fe  Fe325  1  0.103164  0.197722  0.578567  1
  Fe  Fe326  1  0.103118  0.196827  0.911883  1
  Fe  Fe327  1  0.104027  0.530178  0.244822  1
  Fe  Fe328  1  0.102885  0.531101  0.578185  1
  Fe  Fe329  1  0.103285  0.531141  0.911806  1
  Fe  Fe330  1  0.102794  0.868035  0.244966  1
  Fe  Fe331  1  0.103328  0.864319  0.578244  1
  Fe  Fe332  1  0.103020  0.864599  0.911572  1
  Fe  Fe333  1  0.351965  0.198799  0.244484  1
  Fe  Fe334  1  0.353387  0.197840  0.578498  1
  Fe  Fe335  1  0.353049  0.197727  0.911722  1
  Fe  Fe336  1  0.353272  0.530162  0.244832  1
  Fe  Fe337  1  0.352694  0.530908  0.578117  1
  Fe  Fe338  1  0.352512  0.531114  0.912014  1
  Fe  Fe339  1  0.353331  0.865439  0.244964  1
  Fe  Fe340  1  0.353149  0.864358  0.578099  1
  Fe  Fe341  1  0.352913  0.864516  0.911633  1
  Fe  Fe342  1  0.603210  0.198378  0.244939  1
  Fe  Fe343  1  0.603213  0.198021  0.578346  1
  Fe  Fe344  1  0.603421  0.198013  0.911612  1
  Fe  Fe345  1  0.603029  0.531146  0.244974  1
  Fe  Fe346  1  0.602955  0.531034  0.578243  1
  Fe  Fe347  1  0.603169  0.530924  0.911629  1
  Fe  Fe348  1  0.602921  0.863770  0.244950  1
  Fe  Fe349  1  0.603165  0.863974  0.578265  1
  Fe  Fe350  1  0.603093  0.863937  0.911692  1
  Fe  Fe351  1  0.852848  0.197638  0.245103  1
  Fe  Fe352  1  0.852995  0.197859  0.578324  1
  Fe  Fe353  1  0.853391  0.197168  0.911680  1
  Fe  Fe354  1  0.853697  0.531555  0.244936  1
  Fe  Fe355  1  0.853165  0.531343  0.578293  1
  Fe  Fe356  1  0.853630  0.531150  0.911713  1
  Fe  Fe357  1  0.852843  0.863659  0.244995  1
  Fe  Fe358  1  0.853279  0.863808  0.578353  1
  Fe  Fe359  1  0.853111  0.863948  0.911653  1
  Fe  Fe360  1  0.089335  0.275831  0.025619  1
  Fe  Fe361  1  0.088863  0.276333  0.358648  1
  Fe  Fe362  1  0.089183  0.276949  0.692093  1
  Fe  Fe363  1  0.089530  0.609904  0.025500  1
  Fe  Fe364  1  0.089516  0.609702  0.358023  1
  Fe  Fe365  1  0.089228  0.610219  0.692048  1
  Fe  Fe366  1  0.089171  0.944582  0.024842  1
  Fe  Fe367  1  0.089316  0.944457  0.358996  1
  Fe  Fe368  1  0.089181  0.943550  0.691790  1
  Fe  Fe369  1  0.339442  0.276633  0.024478  1
  Fe  Fe370  1  0.339197  0.276704  0.358689  1
  Fe  Fe371  1  0.339230  0.277068  0.692030  1
  Fe  Fe372  1  0.339015  0.609790  0.025594  1
  Fe  Fe373  1  0.338880  0.609626  0.357962  1
  Fe  Fe374  1  0.339014  0.610258  0.692095  1
  Fe  Fe375  1  0.339400  0.944200  0.025260  1
  Fe  Fe376  1  0.339520  0.944141  0.358688  1
  Fe  Fe377  1  0.339313  0.943372  0.691724  1
  Fe  Fe378  1  0.589481  0.277167  0.025192  1
  Fe  Fe379  1  0.589394  0.277204  0.358599  1
  Fe  Fe380  1  0.589262  0.277088  0.691908  1
  Fe  Fe381  1  0.588947  0.610650  0.025381  1
  Fe  Fe382  1  0.588753  0.610617  0.358591  1
  Fe  Fe383  1  0.588996  0.610452  0.692074  1
  Fe  Fe384  1  0.589386  0.942783  0.025226  1
  Fe  Fe385  1  0.589210  0.942935  0.358464  1
  Fe  Fe386  1  0.589238  0.943188  0.691862  1
  Fe  Fe387  1  0.839135  0.277038  0.025497  1
  Fe  Fe388  1  0.839006  0.276973  0.358562  1
  Fe  Fe389  1  0.839148  0.277035  0.691945  1
  Fe  Fe390  1  0.839644  0.610350  0.025287  1
  Fe  Fe391  1  0.839627  0.610700  0.358575  1
  Fe  Fe392  1  0.839286  0.610311  0.692122  1
  Fe  Fe393  1  0.838909  0.943212  0.025189  1
  Fe  Fe394  1  0.838920  0.942821  0.358568  1
  Fe  Fe395  1  0.839109  0.943304  0.691877  1
  Fe  Fe396  1  0.145284  0.032210  0.250766  1
  Fe  Fe397  1  0.144390  0.031070  0.583490  1
  Fe  Fe398  1  0.144706  0.030774  0.916253  1
  Fe  Fe399  1  0.145190  0.362590  0.249605  1
  Fe  Fe400  1  0.144857  0.364370  0.583466  1
  Fe  Fe401  1  0.144530  0.363867  0.916752  1
  Fe  Fe402  1  0.144421  0.698641  0.249817  1
  Fe  Fe403  1  0.145128  0.697635  0.583184  1
  Fe  Fe404  1  0.145099  0.698166  0.917030  1
  Fe  Fe405  1  0.395823  0.032118  0.250006  1
  Fe  Fe406  1  0.394955  0.031076  0.583364  1
  Fe  Fe407  1  0.394947  0.030854  0.916628  1
  Fe  Fe408  1  0.394622  0.363525  0.249980  1
  Fe  Fe409  1  0.394861  0.364640  0.583444  1
  Fe  Fe410  1  0.394681  0.364513  0.916664  1
  Fe  Fe411  1  0.393930  0.698393  0.249889  1
  Fe  Fe412  1  0.394572  0.697440  0.583288  1
  Fe  Fe413  1  0.394812  0.697989  0.916904  1
  Fe  Fe414  1  0.644629  0.030805  0.250077  1
  Fe  Fe415  1  0.644761  0.030906  0.583379  1
  Fe  Fe416  1  0.644669  0.030789  0.916725  1
  Fe  Fe417  1  0.644906  0.365141  0.250045  1
  Fe  Fe418  1  0.644893  0.364851  0.583414  1
  Fe  Fe419  1  0.644922  0.364874  0.916765  1
  Fe  Fe420  1  0.644876  0.697393  0.250032  1
  Fe  Fe421  1  0.644652  0.697327  0.583407  1
  Fe  Fe422  1  0.644831  0.697276  0.916727  1
  Fe  Fe423  1  0.894053  0.030731  0.250299  1
  Fe  Fe424  1  0.894337  0.030892  0.583469  1
  Fe  Fe425  1  0.894335  0.030860  0.916446  1
  Fe  Fe426  1  0.895127  0.364401  0.249903  1
  Fe  Fe427  1  0.894805  0.364527  0.583488  1
  Fe  Fe428  1  0.894823  0.363876  0.916947  1
  Fe  Fe429  1  0.895278  0.697758  0.249987  1
  Fe  Fe430  1  0.895204  0.697566  0.583311  1
  Fe  Fe431  1  0.895182  0.697705  0.916966  1
  C  C432  1  0.177379  0.004678  0.003510  1
  C  C433  1  0.177248  0.005396  0.338114  1
  C  C434  1  0.177019  0.004558  0.670697  1
  C  C435  1  0.176896  0.337068  0.003994  1
  C  C436  1  0.176923  0.336654  0.337187  1
  C  C437  1  0.177019  0.337849  0.670819  1
  C  C438  1  0.177065  0.671538  0.004427  1
  C  C439  1  0.176942  0.671571  0.336971  1
  C  C440  1  0.177035  0.671073  0.670611  1
  C  C441  1  0.427577  0.004284  0.003831  1
  C  C442  1  0.427377  0.005006  0.337438  1
  C  C443  1  0.427149  0.004413  0.670681  1
  C  C444  1  0.427291  0.337898  0.003861  1
  C  C445  1  0.427093  0.337414  0.337310  1
  C  C446  1  0.427019  0.338084  0.670792  1
  C  C447  1  0.426590  0.671220  0.004327  1
  C  C448  1  0.426427  0.671342  0.337051  1
  C  C449  1  0.426887  0.670940  0.670600  1
  C  C450  1  0.676965  0.004256  0.004038  1
  C  C451  1  0.676978  0.004062  0.337338  1
  C  C452  1  0.677001  0.004301  0.670695  1
  C  C453  1  0.677165  0.338497  0.004116  1
  C  C454  1  0.676994  0.338647  0.337423  1
  C  C455  1  0.677030  0.338203  0.670753  1
  C  C456  1  0.677186  0.670639  0.004000  1
  C  C457  1  0.676983  0.670739  0.337376  1
  C  C458  1  0.677035  0.670864  0.670702  1
  C  C459  1  0.926561  0.004400  0.003784  1
  C  C460  1  0.926636  0.004091  0.337507  1
  C  C461  1  0.926891  0.004373  0.670701  1
  C  C462  1  0.927373  0.337034  0.004128  1
  C  C463  1  0.926884  0.337836  0.337369  1
  C  C464  1  0.927037  0.337906  0.670803  1
  C  C465  1  0.927460  0.671494  0.004341  1
  C  C466  1  0.927568  0.671407  0.337326  1
  C  C467  1  0.927152  0.671075  0.670735  1
  C  C468  1  0.051159  0.169280  0.324874  1
  C  C469  1  0.051924  0.169926  0.657864  1
  C  C470  1  0.052691  0.168449  0.991499  1
  C  C471  1  0.052280  0.502606  0.323898  1
  C  C472  1  0.052033  0.503242  0.657683  1
  C  C473  1  0.052217  0.502989  0.991127  1
  C  C474  1  0.052217  0.837734  0.324097  1
  C  C475  1  0.052124  0.836436  0.657547  1
  C  C476  1  0.052035  0.837234  0.991094  1
  C  C477  1  0.301997  0.169799  0.324201  1
  C  C478  1  0.302131  0.169983  0.657775  1
  C  C479  1  0.301904  0.169357  0.990961  1
  C  C480  1  0.301722  0.502413  0.323976  1
  C  C481  1  0.301877  0.503282  0.657678  1
  C  C482  1  0.301713  0.502749  0.991440  1
  C  C483  1  0.301367  0.837879  0.323916  1
  C  C484  1  0.302036  0.836392  0.657434  1
  C  C485  1  0.302026  0.837146  0.991207  1
  C  C486  1  0.552140  0.170239  0.324263  1
  C  C487  1  0.552105  0.170016  0.657677  1
  C  C488  1  0.552214  0.170173  0.990920  1
  C  C489  1  0.551722  0.503535  0.324270  1
  C  C490  1  0.551918  0.503432  0.657688  1
  C  C491  1  0.551911  0.503603  0.991012  1
  C  C492  1  0.551620  0.836074  0.324240  1
  C  C493  1  0.551962  0.836197  0.657591  1
  C  C494  1  0.551928  0.835869  0.990982  1
  C  C495  1  0.801561  0.169997  0.324413  1
  C  C496  1  0.801899  0.170021  0.657693  1
  C  C497  1  0.802071  0.170036  0.991071  1
  C  C498  1  0.802397  0.503744  0.324203  1
  C  C499  1  0.802158  0.503346  0.657678  1
  C  C500  1  0.802480  0.503285  0.991045  1
  C  C501  1  0.801705  0.835781  0.324330  1
  C  C502  1  0.801986  0.836206  0.657663  1
  C  C503  1  0.801849  0.836109  0.990935  1
  C  C504  1  0.070428  0.168627  0.157548  1
  C  C505  1  0.070566  0.171303  0.491332  1
  C  C506  1  0.070798  0.170997  0.824456  1
  C  C507  1  0.071418  0.503324  0.157663  1
  C  C508  1  0.071081  0.504277  0.490774  1
  C  C509  1  0.071025  0.504567  0.824487  1
  C  C510  1  0.071780  0.840545  0.157457  1
  C  C511  1  0.071053  0.837943  0.490900  1
  C  C512  1  0.070974  0.837786  0.824239  1
  C  C513  1  0.321379  0.171157  0.156867  1
  C  C514  1  0.321085  0.171358  0.491184  1
  C  C515  1  0.321037  0.171089  0.824345  1
  C  C516  1  0.320306  0.503303  0.157783  1
  C  C517  1  0.320757  0.504257  0.490714  1
  C  C518  1  0.320766  0.504615  0.824528  1
  C  C519  1  0.320430  0.839803  0.157695  1
  C  C520  1  0.320902  0.837890  0.490759  1
  C  C521  1  0.321011  0.837709  0.824249  1
  C  C522  1  0.571191  0.171517  0.157600  1
  C  C523  1  0.571076  0.171370  0.491007  1
  C  C524  1  0.571066  0.171351  0.824340  1
  C  C525  1  0.570778  0.504973  0.157595  1
  C  C526  1  0.570776  0.504733  0.490858  1
  C  C527  1  0.570862  0.504581  0.824293  1
  C  C528  1  0.570601  0.836980  0.157690  1
  C  C529  1  0.570804  0.837433  0.490974  1
  C  C530  1  0.570949  0.837410  0.824333  1
  C  C531  1  0.820555  0.171347  0.157750  1
  C  C532  1  0.820688  0.171303  0.491019  1
  C  C533  1  0.820869  0.171302  0.824321  1
  C  C534  1  0.821590  0.504785  0.157613  1
  C  C535  1  0.821121  0.504782  0.490914  1
  C  C536  1  0.821203  0.504420  0.824475  1
  C  C537  1  0.820772  0.837052  0.157631  1
  C  C538  1  0.820873  0.837363  0.491061  1
  C  C539  1  0.820886  0.837501  0.824310  1
  C  C540  1  0.196594  0.332182  0.170928  1
  C  C541  1  0.195905  0.336277  0.504123  1
  C  C542  1  0.195906  0.336377  0.837463  1
  C  C543  1  0.195821  0.670364  0.170698  1
  C  C544  1  0.195920  0.669797  0.503650  1
  C  C545  1  0.195973  0.670071  0.837593  1
  C  C546  1  0.195006  0.008536  0.169938  1
  C  C547  1  0.195967  1.003766  0.504276  1
  C  C548  1  0.195986  1.003043  0.836971  1
  C  C549  1  0.446177  0.336750  0.170645  1
  C  C550  1  0.445970  0.336716  0.504100  1
  C  C551  1  0.445915  0.336669  0.837372  1
  C  C552  1  0.445167  0.670048  0.170697  1
  C  C553  1  0.445671  0.669705  0.503902  1
  C  C554  1  0.445792  0.669708  0.837561  1
  C  C555  1  0.446275  1.003212  0.170519  1
  C  C556  1  0.446079  1.003311  0.503994  1
  C  C557  1  0.446082  1.003078  0.837269  1
  C  C558  1  0.696094  0.337498  0.170688  1
  C  C559  1  0.695935  0.337115  0.503997  1
  C  C560  1  0.695996  0.336928  0.837407  1
  C  C561  1  0.695991  0.669447  0.170695  1
  C  C562  1  0.695903  0.669658  0.504089  1
  C  C563  1  0.696049  0.669506  0.837411  1
  C  C564  1  0.695673  1.002653  0.170742  1
  C  C565  1  0.695901  1.002890  0.504067  1
  C  C566  1  0.695874  1.003030  0.837396  1
  C  C567  1  0.946326  0.335828  0.170734  1
  C  C568  1  0.945872  0.336755  0.504092  1
  C  C569  1  0.946104  0.336145  0.837655  1
  C  C570  1  0.946713  0.670502  0.170684  1
  C  C571  1  0.946145  0.669994  0.503804  1
  C  C572  1  0.946152  0.670014  0.837502  1
  C  C573  1  0.944810  1.002741  0.170785  1
  C  C574  1  0.945751  1.002919  0.504299  1
  C  C575  1  0.945765  1.003028  0.837254  1
