# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.78883775
_cell_length_b   19.31729016
_cell_length_c   49.24170060
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   61.75938354
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe540 C180'
_cell_volume   17420.8647851
_cell_formula_units_Z   180
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  0.128451  0.936502  0.355065  1
  Fe  Fe2  1  0.795118  0.936502  0.355065  1
  Fe  Fe3  1  0.171154  0.499396  0.326854  1
  Fe  Fe4  1  0.461785  0.936502  0.355065  1
  Fe  Fe5  1  0.837821  0.499396  0.326854  1
  Fe  Fe6  1  0.221566  0.056098  0.299553  1
  Fe  Fe7  1  0.504488  0.499396  0.326854  1
  Fe  Fe8  1  0.888233  0.056098  0.299553  1
  Fe  Fe9  1  0.554900  0.056098  0.299553  1
  Fe  Fe10  1  0.355842  0.344246  0.316794  1
  Fe  Fe11  1  0.022509  0.344246  0.316794  1
  Fe  Fe12  1  0.262526  0.220598  0.373537  1
  Fe  Fe13  1  0.689175  0.344246  0.316794  1
  Fe  Fe14  1  0.929192  0.220598  0.373537  1
  Fe  Fe15  1  0.310967  0.780618  0.346334  1
  Fe  Fe16  1  0.595859  0.220598  0.373537  1
  Fe  Fe17  1  0.977633  0.780618  0.346334  1
  Fe  Fe18  1  0.644300  0.780618  0.346334  1
  Fe  Fe19  1  0.185320  0.686926  0.353380  1
  Fe  Fe20  1  0.851987  0.686926  0.353380  1
  Fe  Fe21  1  0.229502  0.253259  0.326993  1
  Fe  Fe22  1  0.518653  0.686926  0.353380  1
  Fe  Fe23  1  0.896168  0.253259  0.326993  1
  Fe  Fe24  1  0.276141  0.813979  0.299363  1
  Fe  Fe25  1  0.562835  0.253259  0.326993  1
  Fe  Fe26  1  0.942808  0.813979  0.299363  1
  Fe  Fe27  1  0.609475  0.813979  0.299363  1
  Fe  Fe28  1  0.286918  0.686972  0.313580  1
  Fe  Fe29  1  0.953585  0.686972  0.313580  1
  Fe  Fe30  1  0.193649  0.565644  0.369138  1
  Fe  Fe31  1  0.620251  0.686972  0.313580  1
  Fe  Fe32  1  0.860315  0.565644  0.369138  1
  Fe  Fe33  1  0.240403  0.127415  0.341280  1
  Fe  Fe34  1  0.526982  0.565644  0.369138  1
  Fe  Fe35  1  0.907069  0.127415  0.341280  1
  Fe  Fe36  1  0.573736  0.127415  0.341280  1
  Fe  Fe37  1  0.321649  0.458150  0.343679  1
  Fe  Fe38  1  0.988316  0.458150  0.343679  1
  Fe  Fe39  1  0.367258  0.014661  0.316265  1
  Fe  Fe40  1  0.654983  0.458150  0.343679  1
  Fe  Fe41  1  0.033924  0.014661  0.316265  1
  Fe  Fe42  1  0.274923  0.895728  0.372315  1
  Fe  Fe43  1  0.700591  0.014661  0.316265  1
  Fe  Fe44  1  0.941589  0.895728  0.372315  1
  Fe  Fe45  1  0.608256  0.895728  0.372315  1
  Fe  Fe46  1  0.177162  0.815979  0.331847  1
  Fe  Fe47  1  0.843829  0.815979  0.331847  1
  Fe  Fe48  1  0.220319  0.376358  0.303930  1
  Fe  Fe49  1  0.510496  0.815979  0.331847  1
  Fe  Fe50  1  0.886986  0.376358  0.303930  1
  Fe  Fe51  1  0.127875  0.255629  0.359461  1
  Fe  Fe52  1  0.553653  0.376358  0.303930  1
  Fe  Fe53  1  0.794541  0.255629  0.359461  1
  Fe  Fe54  1  0.461208  0.255629  0.359461  1
  Fe  Fe55  1  0.470054  0.203762  0.308930  1
  Fe  Fe56  1  0.136721  0.203762  0.308930  1
  Fe  Fe57  1  0.371440  0.089575  0.361220  1
  Fe  Fe58  1  0.803388  0.203762  0.308930  1
  Fe  Fe59  1  0.038106  0.089575  0.361220  1
  Fe  Fe60  1  0.421521  0.647898  0.334984  1
  Fe  Fe61  1  0.704773  0.089575  0.361220  1
  Fe  Fe62  1  0.088187  0.647898  0.334984  1
  Fe  Fe63  1  0.754854  0.647898  0.334984  1
  Fe  Fe64  1  0.329957  0.649885  0.371992  1
  Fe  Fe65  1  0.996624  0.649885  0.371992  1
  Fe  Fe66  1  0.374270  0.210563  0.343760  1
  Fe  Fe67  1  0.663291  0.649885  0.371992  1
  Fe  Fe68  1  0.040937  0.210563  0.343760  1
  Fe  Fe69  1  0.418851  0.773254  0.315997  1
  Fe  Fe70  1  0.707604  0.210563  0.343760  1
  Fe  Fe71  1  0.085518  0.773254  0.315997  1
  Fe  Fe72  1  0.752184  0.773254  0.315997  1
  Fe  Fe73  1  0.248431  0.582873  0.320038  1
  Fe  Fe74  1  0.915097  0.582873  0.320038  1
  Fe  Fe75  1  0.284082  0.148194  0.294912  1
  Fe  Fe76  1  0.581764  0.582873  0.320038  1
  Fe  Fe77  1  0.950748  0.148194  0.294912  1
  Fe  Fe78  1  0.195942  0.024479  0.349440  1
  Fe  Fe79  1  0.617415  0.148194  0.294912  1
  Fe  Fe80  1  0.862609  0.024479  0.349440  1
  Fe  Fe81  1  0.529275  0.024479  0.349440  1
  Fe  Fe82  1  0.396185  0.466738  0.299728  1
  Fe  Fe83  1  0.062852  0.466738  0.299728  1
  Fe  Fe84  1  0.272780  0.346423  0.354276  1
  Fe  Fe85  1  0.729519  0.466738  0.299728  1
  Fe  Fe86  1  0.939447  0.346423  0.354276  1
  Fe  Fe87  1  0.315926  0.907325  0.327756  1
  Fe  Fe88  1  0.606114  0.346423  0.354276  1
  Fe  Fe89  1  0.982592  0.907325  0.327756  1
  Fe  Fe90  1  0.649259  0.907325  0.327756  1
  Fe  Fe91  1  0.377846  0.553006  0.338765  1
  Fe  Fe92  1  0.044513  0.553006  0.338765  1
  Fe  Fe93  1  0.416141  0.112140  0.308431  1
  Fe  Fe94  1  0.711179  0.553006  0.338765  1
  Fe  Fe95  1  0.082808  0.112140  0.308431  1
  Fe  Fe96  1  0.330001  0.992836  0.366073  1
  Fe  Fe97  1  0.749475  0.112140  0.308431  1
  Fe  Fe98  1  0.996668  0.992836  0.366073  1
  Fe  Fe99  1  0.663334  0.992836  0.366073  1
  Fe  Fe100  1  0.086160  0.831155  0.365476  1
  Fe  Fe101  1  0.752826  0.831155  0.365476  1
  Fe  Fe102  1  0.134429  0.386585  0.339774  1
  Fe  Fe103  1  0.419493  0.831155  0.365476  1
  Fe  Fe104  1  0.801095  0.386585  0.339774  1
  Fe  Fe105  1  0.179275  0.950488  0.310379  1
  Fe  Fe106  1  0.467762  0.386585  0.339774  1
  Fe  Fe107  1  0.845942  0.950488  0.310379  1
  Fe  Fe108  1  0.512609  0.950488  0.310379  1
  Fe  Fe109  1  0.987958  0.254971  0.438263  1
  Fe  Fe110  1  0.654625  0.254971  0.438263  1
  Fe  Fe111  1  0.035363  0.814779  0.410715  1
  Fe  Fe112  1  0.321292  0.254971  0.438263  1
  Fe  Fe113  1  0.702029  0.814779  0.410715  1
  Fe  Fe114  1  0.080468  0.374695  0.382784  1
  Fe  Fe115  1  0.368696  0.814779  0.410715  1
  Fe  Fe116  1  0.747135  0.374695  0.382784  1
  Fe  Fe117  1  0.413802  0.374695  0.382784  1
  Fe  Fe118  1  0.217116  0.658877  0.401976  1
  Fe  Fe119  1  0.883782  0.658877  0.401976  1
  Fe  Fe120  1  0.123387  0.537177  0.457472  1
  Fe  Fe121  1  0.550449  0.658877  0.401976  1
  Fe  Fe122  1  0.790053  0.537177  0.457472  1
  Fe  Fe123  1  0.170119  0.098408  0.429502  1
  Fe  Fe124  1  0.456720  0.537177  0.457472  1
  Fe  Fe125  1  0.836786  0.098408  0.429502  1
  Fe  Fe126  1  0.503453  0.098408  0.429502  1
  Fe  Fe127  1  0.044479  0.004730  0.436779  1
  Fe  Fe128  1  0.711145  0.004730  0.436779  1
  Fe  Fe129  1  0.091566  0.564927  0.408993  1
  Fe  Fe130  1  0.377812  0.004730  0.436779  1
  Fe  Fe131  1  0.758233  0.564927  0.408993  1
  Fe  Fe132  1  0.136807  0.126976  0.380699  1
  Fe  Fe133  1  0.424900  0.564927  0.408993  1
  Fe  Fe134  1  0.803473  0.126976  0.380699  1
  Fe  Fe135  1  0.470140  0.126976  0.380699  1
  Fe  Fe136  1  0.145023  0.004699  0.396596  1
  Fe  Fe137  1  0.811690  0.004699  0.396596  1
  Fe  Fe138  1  0.052801  0.882368  0.452535  1
  Fe  Fe139  1  0.478357  0.004699  0.396596  1
  Fe  Fe140  1  0.719467  0.882368  0.452535  1
  Fe  Fe141  1  0.100112  0.443365  0.424789  1
  Fe  Fe142  1  0.386134  0.882368  0.452535  1
  Fe  Fe143  1  0.766779  0.443365  0.424789  1
  Fe  Fe144  1  0.433446  0.443365  0.424789  1
  Fe  Fe145  1  0.181453  0.773841  0.427788  1
  Fe  Fe146  1  0.848119  0.773841  0.427788  1
  Fe  Fe147  1  0.226680  0.336742  0.398988  1
  Fe  Fe148  1  0.514786  0.773841  0.427788  1
  Fe  Fe149  1  0.893347  0.336742  0.398988  1
  Fe  Fe150  1  0.134458  0.213726  0.455343  1
  Fe  Fe151  1  0.560014  0.336742  0.398988  1
  Fe  Fe152  1  0.801125  0.213726  0.455343  1
  Fe  Fe153  1  0.467792  0.213726  0.455343  1
  Fe  Fe154  1  0.035164  0.134153  0.415052  1
  Fe  Fe155  1  0.701830  0.134153  0.415052  1
  Fe  Fe156  1  0.082382  0.695257  0.387359  1
  Fe  Fe157  1  0.368497  0.134153  0.415052  1
  Fe  Fe158  1  0.749048  0.695257  0.387359  1
  Fe  Fe159  1  0.988904  0.573140  0.443058  1
  Fe  Fe160  1  0.415715  0.695257  0.387359  1
  Fe  Fe161  1  0.655571  0.573140  0.443058  1
  Fe  Fe162  1  0.322237  0.573140  0.443058  1
  Fe  Fe163  1  0.325043  0.528075  0.389437  1
  Fe  Fe164  1  0.991710  0.528075  0.389437  1
  Fe  Fe165  1  0.231602  0.406998  0.444629  1
  Fe  Fe166  1  0.658377  0.528075  0.389437  1
  Fe  Fe167  1  0.898268  0.406998  0.444629  1
  Fe  Fe168  1  0.278738  0.967357  0.417019  1
  Fe  Fe169  1  0.564935  0.406998  0.444629  1
  Fe  Fe170  1  0.945404  0.967357  0.417019  1
  Fe  Fe171  1  0.612071  0.967357  0.417019  1
  Fe  Fe172  1  0.187897  0.968008  0.455200  1
  Fe  Fe173  1  0.854564  0.968008  0.455200  1
  Fe  Fe174  1  0.235091  0.528637  0.427370  1
  Fe  Fe175  1  0.521230  0.968008  0.455200  1
  Fe  Fe176  1  0.901758  0.528637  0.427370  1
  Fe  Fe177  1  0.280970  0.089834  0.399648  1
  Fe  Fe178  1  0.568425  0.528637  0.427370  1
  Fe  Fe179  1  0.947637  0.089834  0.399648  1
  Fe  Fe180  1  0.614303  0.089834  0.399648  1
  Fe  Fe181  1  0.105736  0.901078  0.405440  1
  Fe  Fe182  1  0.772403  0.901078  0.405440  1
  Fe  Fe183  1  0.152797  0.462645  0.376717  1
  Fe  Fe184  1  0.439070  0.901078  0.405440  1
  Fe  Fe185  1  0.819463  0.462645  0.376717  1
  Fe  Fe186  1  0.057815  0.341095  0.432220  1
  Fe  Fe187  1  0.486130  0.462645  0.376717  1
  Fe  Fe188  1  0.724482  0.341095  0.432220  1
  Fe  Fe189  1  0.391148  0.341095  0.432220  1
  Fe  Fe190  1  0.223437  0.784605  0.382923  1
  Fe  Fe191  1  0.890104  0.784605  0.382923  1
  Fe  Fe192  1  0.129269  0.662737  0.438538  1
  Fe  Fe193  1  0.556771  0.784605  0.382923  1
  Fe  Fe194  1  0.795936  0.662737  0.438538  1
  Fe  Fe195  1  0.176237  0.223975  0.410672  1
  Fe  Fe196  1  0.462602  0.662737  0.438538  1
  Fe  Fe197  1  0.842904  0.223975  0.410672  1
  Fe  Fe198  1  0.509571  0.223975  0.410672  1
  Fe  Fe199  1  0.237346  0.870734  0.421295  1
  Fe  Fe200  1  0.904012  0.870734  0.421295  1
  Fe  Fe201  1  0.281689  0.431207  0.392532  1
  Fe  Fe202  1  0.570679  0.870734  0.421295  1
  Fe  Fe203  1  0.948356  0.431207  0.392532  1
  Fe  Fe204  1  0.190202  0.309670  0.448831  1
  Fe  Fe205  1  0.615023  0.431207  0.392532  1
  Fe  Fe206  1  0.856869  0.309670  0.448831  1
  Fe  Fe207  1  0.523535  0.309670  0.448831  1
  Fe  Fe208  1  0.945671  0.147882  0.448760  1
  Fe  Fe209  1  0.612338  0.147882  0.448760  1
  Fe  Fe210  1  0.992405  0.708655  0.421072  1
  Fe  Fe211  1  0.279005  0.147882  0.448760  1
  Fe  Fe212  1  0.659072  0.708655  0.421072  1
  Fe  Fe213  1  0.038443  0.269794  0.393180  1
  Fe  Fe214  1  0.325738  0.708655  0.421072  1
  Fe  Fe215  1  0.705110  0.269794  0.393180  1
  Fe  Fe216  1  0.371776  0.269794  0.393180  1
  Fe  Fe217  1  0.849004  0.571514  0.521850  1
  Fe  Fe218  1  0.515671  0.571514  0.521850  1
  Fe  Fe219  1  0.895321  0.132621  0.493986  1
  Fe  Fe220  1  0.182337  0.571514  0.521850  1
  Fe  Fe221  1  0.561988  0.132621  0.493986  1
  Fe  Fe222  1  0.942029  0.693381  0.466236  1
  Fe  Fe223  1  0.228654  0.132621  0.493986  1
  Fe  Fe224  1  0.608696  0.693381  0.466236  1
  Fe  Fe225  1  0.275362  0.693381  0.466236  1
  Fe  Fe226  1  0.076812  0.976611  0.485117  1
  Fe  Fe227  1  0.743479  0.976611  0.485117  1
  Fe  Fe228  1  0.983777  0.854676  0.540850  1
  Fe  Fe229  1  0.410146  0.976611  0.485117  1
  Fe  Fe230  1  0.650443  0.854676  0.540850  1
  Fe  Fe231  1  0.030255  0.415514  0.513073  1
  Fe  Fe232  1  0.317110  0.854676  0.540850  1
  Fe  Fe233  1  0.696922  0.415514  0.513073  1
  Fe  Fe234  1  0.363588  0.415514  0.513073  1
  Fe  Fe235  1  0.904703  0.321632  0.520030  1
  Fe  Fe236  1  0.571370  0.321632  0.520030  1
  Fe  Fe237  1  0.951203  0.882898  0.492320  1
  Fe  Fe238  1  0.238036  0.321632  0.520030  1
  Fe  Fe239  1  0.617869  0.882898  0.492320  1
  Fe  Fe240  1  0.997814  0.443227  0.464241  1
  Fe  Fe241  1  0.284536  0.882898  0.492320  1
  Fe  Fe242  1  0.664481  0.443227  0.464241  1
  Fe  Fe243  1  0.331148  0.443227  0.464241  1
  Fe  Fe244  1  0.005481  0.321974  0.479994  1
  Fe  Fe245  1  0.672147  0.321974  0.479994  1
  Fe  Fe246  1  0.912587  0.199751  0.535723  1
  Fe  Fe247  1  0.338814  0.321974  0.479994  1
  Fe  Fe248  1  0.579254  0.199751  0.535723  1
  Fe  Fe249  1  0.959310  0.760707  0.508046  1
  Fe  Fe250  1  0.245920  0.199751  0.535723  1
  Fe  Fe251  1  0.625976  0.760707  0.508046  1
  Fe  Fe252  1  0.292643  0.760707  0.508046  1
  Fe  Fe253  1  0.041183  0.091566  0.510974  1
  Fe  Fe254  1  0.707850  0.091566  0.510974  1
  Fe  Fe255  1  0.088157  0.652183  0.483505  1
  Fe  Fe256  1  0.374517  0.091566  0.510974  1
  Fe  Fe257  1  0.754824  0.652183  0.483505  1
  Fe  Fe258  1  0.994831  0.530318  0.539050  1
  Fe  Fe259  1  0.421490  0.652183  0.483505  1
  Fe  Fe260  1  0.661497  0.530318  0.539050  1
  Fe  Fe261  1  0.328164  0.530318  0.539050  1
  Fe  Fe262  1  0.895614  0.451585  0.498557  1
  Fe  Fe263  1  0.562280  0.451585  0.498557  1
  Fe  Fe264  1  0.942386  0.011964  0.470790  1
  Fe  Fe265  1  0.228947  0.451585  0.498557  1
  Fe  Fe266  1  0.609053  0.011964  0.470790  1
  Fe  Fe267  1  0.849161  0.890058  0.526312  1
  Fe  Fe268  1  0.275719  0.011964  0.470790  1
  Fe  Fe269  1  0.515827  0.890058  0.526312  1
  Fe  Fe270  1  0.182494  0.890058  0.526312  1
  Fe  Fe271  1  0.185438  0.845656  0.472512  1
  Fe  Fe272  1  0.852105  0.845656  0.472512  1
  Fe  Fe273  1  0.092255  0.723719  0.528171  1
  Fe  Fe274  1  0.518771  0.845656  0.472512  1
  Fe  Fe275  1  0.758921  0.723719  0.528171  1
  Fe  Fe276  1  0.138595  0.285129  0.500144  1
  Fe  Fe277  1  0.425588  0.723719  0.528171  1
  Fe  Fe278  1  0.805261  0.285129  0.500144  1
  Fe  Fe279  1  0.471928  0.285129  0.500144  1
  Fe  Fe280  1  0.048650  0.284958  0.538410  1
  Fe  Fe281  1  0.715316  0.284958  0.538410  1
  Fe  Fe282  1  0.094992  0.846009  0.511055  1
  Fe  Fe283  1  0.381983  0.284958  0.538410  1
  Fe  Fe284  1  0.761659  0.846009  0.511055  1
  Fe  Fe285  1  0.142036  0.406798  0.482990  1
  Fe  Fe286  1  0.428326  0.846009  0.511055  1
  Fe  Fe287  1  0.808702  0.406798  0.482990  1
  Fe  Fe288  1  0.475369  0.406798  0.482990  1
  Fe  Fe289  1  0.965503  0.218534  0.488490  1
  Fe  Fe290  1  0.632170  0.218534  0.488490  1
  Fe  Fe291  1  0.012092  0.779522  0.460933  1
  Fe  Fe292  1  0.298837  0.218534  0.488490  1
  Fe  Fe293  1  0.678758  0.779522  0.460933  1
  Fe  Fe294  1  0.918937  0.657625  0.516631  1
  Fe  Fe295  1  0.345425  0.779522  0.460933  1
  Fe  Fe296  1  0.585603  0.657625  0.516631  1
  Fe  Fe297  1  0.252270  0.657625  0.516631  1
  Fe  Fe298  1  0.082970  0.102185  0.466096  1
  Fe  Fe299  1  0.749636  0.102185  0.466096  1
  Fe  Fe300  1  0.989669  0.979936  0.521969  1
  Fe  Fe301  1  0.416303  0.102185  0.466096  1
  Fe  Fe302  1  0.656336  0.979936  0.521969  1
  Fe  Fe303  1  0.035904  0.541028  0.494104  1
  Fe  Fe304  1  0.323002  0.979936  0.521969  1
  Fe  Fe305  1  0.702570  0.541028  0.494104  1
  Fe  Fe306  1  0.369237  0.541028  0.494104  1
  Fe  Fe307  1  0.097296  0.187756  0.504349  1
  Fe  Fe308  1  0.763963  0.187756  0.504349  1
  Fe  Fe309  1  0.144281  0.748901  0.476927  1
  Fe  Fe310  1  0.430630  0.187756  0.504349  1
  Fe  Fe311  1  0.810948  0.748901  0.476927  1
  Fe  Fe312  1  0.050944  0.627349  0.532440  1
  Fe  Fe313  1  0.477615  0.748901  0.476927  1
  Fe  Fe314  1  0.717611  0.627349  0.532440  1
  Fe  Fe315  1  0.384277  0.627349  0.532440  1
  Fe  Fe316  1  0.805912  0.465134  0.532175  1
  Fe  Fe317  1  0.472578  0.465134  0.532175  1
  Fe  Fe318  1  0.852504  0.026083  0.504250  1
  Fe  Fe319  1  0.139245  0.465134  0.532175  1
  Fe  Fe320  1  0.519171  0.026083  0.504250  1
  Fe  Fe321  1  0.898974  0.587070  0.476602  1
  Fe  Fe322  1  0.185838  0.026083  0.504250  1
  Fe  Fe323  1  0.565641  0.587070  0.476602  1
  Fe  Fe324  1  0.232307  0.587070  0.476602  1
  Fe  Fe325  1  0.709402  0.888710  0.605370  1
  Fe  Fe326  1  0.376069  0.888710  0.605370  1
  Fe  Fe327  1  0.756043  0.449898  0.577418  1
  Fe  Fe328  1  0.042735  0.888710  0.605370  1
  Fe  Fe329  1  0.422709  0.449898  0.577418  1
  Fe  Fe330  1  0.802153  0.010803  0.549538  1
  Fe  Fe331  1  0.089376  0.449898  0.577418  1
  Fe  Fe332  1  0.468819  0.010803  0.549538  1
  Fe  Fe333  1  0.135486  0.010803  0.549538  1
  Fe  Fe334  1  0.937164  0.293473  0.568501  1
  Fe  Fe335  1  0.603831  0.293473  0.568501  1
  Fe  Fe336  1  0.843311  0.172227  0.624276  1
  Fe  Fe337  1  0.270498  0.293473  0.568501  1
  Fe  Fe338  1  0.509978  0.172227  0.624276  1
  Fe  Fe339  1  0.890244  0.734188  0.596503  1
  Fe  Fe340  1  0.176645  0.172227  0.624276  1
  Fe  Fe341  1  0.556911  0.734188  0.596503  1
  Fe  Fe342  1  0.223578  0.734188  0.596503  1
  Fe  Fe343  1  0.764679  0.640379  0.602994  1
  Fe  Fe344  1  0.431346  0.640379  0.602994  1
  Fe  Fe345  1  0.811592  0.199641  0.575561  1
  Fe  Fe346  1  0.098012  0.640379  0.602994  1
  Fe  Fe347  1  0.478258  0.199641  0.575561  1
  Fe  Fe348  1  0.858172  0.760918  0.547959  1
  Fe  Fe349  1  0.144925  0.199641  0.575561  1
  Fe  Fe350  1  0.524839  0.760918  0.547959  1
  Fe  Fe351  1  0.191506  0.760918  0.547959  1
  Fe  Fe352  1  0.866054  0.638781  0.563904  1
  Fe  Fe353  1  0.532721  0.638781  0.563904  1
  Fe  Fe354  1  0.775731  0.516753  0.618581  1
  Fe  Fe355  1  0.199387  0.638781  0.563904  1
  Fe  Fe356  1  0.442397  0.516753  0.618581  1
  Fe  Fe357  1  0.819362  0.077834  0.591218  1
  Fe  Fe358  1  0.109064  0.516753  0.618581  1
  Fe  Fe359  1  0.486028  0.077834  0.591218  1
  Fe  Fe360  1  0.152695  0.077834  0.591218  1
  Fe  Fe361  1  0.901651  0.408080  0.594410  1
  Fe  Fe362  1  0.568318  0.408080  0.594410  1
  Fe  Fe363  1  0.948234  0.969424  0.566848  1
  Fe  Fe364  1  0.234985  0.408080  0.594410  1
  Fe  Fe365  1  0.614901  0.969424  0.566848  1
  Fe  Fe366  1  0.854477  0.847915  0.622548  1
  Fe  Fe367  1  0.281568  0.969424  0.566848  1
  Fe  Fe368  1  0.521144  0.847915  0.622548  1
  Fe  Fe369  1  0.187811  0.847915  0.622548  1
  Fe  Fe370  1  0.755840  0.768310  0.582185  1
  Fe  Fe371  1  0.422506  0.768310  0.582185  1
  Fe  Fe372  1  0.802753  0.329344  0.554114  1
  Fe  Fe373  1  0.089173  0.768310  0.582185  1
  Fe  Fe374  1  0.469420  0.329344  0.554114  1
  Fe  Fe375  1  0.709384  0.207862  0.609619  1
  Fe  Fe376  1  0.136086  0.329344  0.554114  1
  Fe  Fe377  1  0.376051  0.207862  0.609619  1
  Fe  Fe378  1  0.042717  0.207862  0.609619  1
  Fe  Fe379  1  0.045515  0.162968  0.555722  1
  Fe  Fe380  1  0.712181  0.162968  0.555722  1
  Fe  Fe381  1  0.952062  0.041171  0.611230  1
  Fe  Fe382  1  0.378848  0.162968  0.555722  1
  Fe  Fe383  1  0.618729  0.041171  0.611230  1
  Fe  Fe384  1  0.999264  0.602252  0.583691  1
  Fe  Fe385  1  0.285396  0.041171  0.611230  1
  Fe  Fe386  1  0.665931  0.602252  0.583691  1
  Fe  Fe387  1  0.332597  0.602252  0.583691  1
  Fe  Fe388  1  0.907978  0.602252  0.622630  1
  Fe  Fe389  1  0.574645  0.602252  0.622630  1
  Fe  Fe390  1  0.956023  0.162782  0.593941  1
  Fe  Fe391  1  0.241311  0.602252  0.622630  1
  Fe  Fe392  1  0.622690  0.162782  0.593941  1
  Fe  Fe393  1  0.001182  0.724414  0.566868  1
  Fe  Fe394  1  0.289357  0.162782  0.593941  1
  Fe  Fe395  1  0.667849  0.724414  0.566868  1
  Fe  Fe396  1  0.334516  0.724414  0.566868  1
  Fe  Fe397  1  0.825405  0.536234  0.572202  1
  Fe  Fe398  1  0.492071  0.536234  0.572202  1
  Fe  Fe399  1  0.872111  0.096604  0.544146  1
  Fe  Fe400  1  0.158738  0.536234  0.572202  1
  Fe  Fe401  1  0.538777  0.096604  0.544146  1
  Fe  Fe402  1  0.779264  0.974347  0.599990  1
  Fe  Fe403  1  0.205444  0.096604  0.544146  1
  Fe  Fe404  1  0.445931  0.974347  0.599990  1
  Fe  Fe405  1  0.112597  0.974347  0.599990  1
  Fe  Fe406  1  0.942706  0.419311  0.549464  1
  Fe  Fe407  1  0.609372  0.419311  0.549464  1
  Fe  Fe408  1  0.848858  0.297012  0.605188  1
  Fe  Fe409  1  0.276039  0.419311  0.549464  1
  Fe  Fe410  1  0.515525  0.297012  0.605188  1
  Fe  Fe411  1  0.896345  0.857969  0.577546  1
  Fe  Fe412  1  0.182191  0.297012  0.605188  1
  Fe  Fe413  1  0.563012  0.857969  0.577546  1
  Fe  Fe414  1  0.229678  0.857969  0.577546  1
  Fe  Fe415  1  0.957788  0.505772  0.588093  1
  Fe  Fe416  1  0.624455  0.505772  0.588093  1
  Fe  Fe417  1  0.004528  0.065567  0.560117  1
  Fe  Fe418  1  0.291122  0.505772  0.588093  1
  Fe  Fe419  1  0.671195  0.065567  0.560117  1
  Fe  Fe420  1  0.911089  0.944580  0.615720  1
  Fe  Fe421  1  0.337862  0.065567  0.560117  1
  Fe  Fe422  1  0.577756  0.944580  0.615720  1
  Fe  Fe423  1  0.244422  0.944580  0.615720  1
  Fe  Fe424  1  0.666301  0.782066  0.615823  1
  Fe  Fe425  1  0.332967  0.782066  0.615823  1
  Fe  Fe426  1  0.712766  0.343497  0.587274  1
  Fe  Fe427  1  0.999634  0.782066  0.615823  1
  Fe  Fe428  1  0.379432  0.343497  0.587274  1
  Fe  Fe429  1  0.759417  0.904031  0.559908  1
  Fe  Fe430  1  0.046099  0.343497  0.587274  1
  Fe  Fe431  1  0.426084  0.904031  0.559908  1
  Fe  Fe432  1  0.092750  0.904031  0.559908  1
  Fe  Fe433  1  0.582581  0.203449  0.689133  1
  Fe  Fe434  1  0.249248  0.203449  0.689133  1
  Fe  Fe435  1  0.617519  0.767726  0.661292  1
  Fe  Fe436  1  0.915915  0.203449  0.689133  1
  Fe  Fe437  1  0.284186  0.767726  0.661292  1
  Fe  Fe438  1  0.663020  0.327788  0.632863  1
  Fe  Fe439  1  0.950853  0.767726  0.661292  1
  Fe  Fe440  1  0.329687  0.327788  0.632863  1
  Fe  Fe441  1  0.996353  0.327788  0.632863  1
  Fe  Fe442  1  0.797130  0.613663  0.652215  1
  Fe  Fe443  1  0.463797  0.613663  0.652215  1
  Fe  Fe444  1  0.687236  0.504761  0.704771  1
  Fe  Fe445  1  0.130463  0.613663  0.652215  1
  Fe  Fe446  1  0.353903  0.504761  0.704771  1
  Fe  Fe447  1  0.748008  0.053476  0.679974  1
  Fe  Fe448  1  0.020570  0.504761  0.704771  1
  Fe  Fe449  1  0.414675  0.053476  0.679974  1
  Fe  Fe450  1  0.081341  0.053476  0.679974  1
  Fe  Fe451  1  0.622576  0.959672  0.685977  1
  Fe  Fe452  1  0.289242  0.959672  0.685977  1
  Fe  Fe453  1  0.671605  0.519533  0.656755  1
  Fe  Fe454  1  0.955909  0.959672  0.685977  1
  Fe  Fe455  1  0.338272  0.519533  0.656755  1
  Fe  Fe456  1  0.717900  0.078223  0.631193  1
  Fe  Fe457  1  0.004939  0.519533  0.656755  1
  Fe  Fe458  1  0.384567  0.078223  0.631193  1
  Fe  Fe459  1  0.051234  0.078223  0.631193  1
  Fe  Fe460  1  0.725756  0.956120  0.647198  1
  Fe  Fe461  1  0.392422  0.956120  0.647198  1
  Fe  Fe462  1  0.631717  0.836122  0.702027  1
  Fe  Fe463  1  0.059089  0.956120  0.647198  1
  Fe  Fe464  1  0.298384  0.836122  0.702027  1
  Fe  Fe465  1  0.683239  0.395574  0.674376  1
  Fe  Fe466  1  0.965050  0.836122  0.702027  1
  Fe  Fe467  1  0.349905  0.395574  0.674376  1
  Fe  Fe468  1  0.016572  0.395574  0.674376  1
  Fe  Fe469  1  0.763057  0.726583  0.679254  1
  Fe  Fe470  1  0.429723  0.726583  0.679254  1
  Fe  Fe471  1  0.808387  0.286148  0.650706  1
  Fe  Fe472  1  0.096390  0.726583  0.679254  1
  Fe  Fe473  1  0.475053  0.286148  0.650706  1
  Fe  Fe474  1  0.717902  0.167936  0.707486  1
  Fe  Fe475  1  0.141720  0.286148  0.650706  1
  Fe  Fe476  1  0.384569  0.167936  0.707486  1
  Fe  Fe477  1  0.051235  0.167936  0.707486  1
  Fe  Fe478  1  0.615133  0.083781  0.664559  1
  Fe  Fe479  1  0.281799  0.083781  0.664559  1
  Fe  Fe480  1  0.661005  0.647985  0.638167  1
  Fe  Fe481  1  0.948466  0.083781  0.664559  1
  Fe  Fe482  1  0.327672  0.647985  0.638167  1
  Fe  Fe483  1  0.567734  0.520948  0.692977  1
  Fe  Fe484  1  0.994338  0.647985  0.638167  1
  Fe  Fe485  1  0.234400  0.520948  0.692977  1
  Fe  Fe486  1  0.901067  0.520948  0.692977  1
  Fe  Fe487  1  0.907004  0.479113  0.639329  1
  Fe  Fe488  1  0.573671  0.479113  0.639329  1
  Fe  Fe489  1  0.810356  0.361255  0.693043  1
  Fe  Fe490  1  0.240338  0.479113  0.639329  1
  Fe  Fe491  1  0.477023  0.361255  0.693043  1
  Fe  Fe492  1  0.858176  0.921599  0.666512  1
  Fe  Fe493  1  0.143690  0.361255  0.693043  1
  Fe  Fe494  1  0.524842  0.921599  0.666512  1
  Fe  Fe495  1  0.191509  0.921599  0.666512  1
  Fe  Fe496  1  0.768468  0.919407  0.705345  1
  Fe  Fe497  1  0.435135  0.919407  0.705345  1
  Fe  Fe498  1  0.813166  0.480378  0.677684  1
  Fe  Fe499  1  0.101802  0.919407  0.705345  1
  Fe  Fe500  1  0.479832  0.480378  0.677684  1
  Fe  Fe501  1  0.860766  0.042071  0.650230  1
  Fe  Fe502  1  0.146499  0.480378  0.677684  1
  Fe  Fe503  1  0.527433  0.042071  0.650230  1
  Fe  Fe504  1  0.194099  0.042071  0.650230  1
  Fe  Fe505  1  0.685192  0.853511  0.655720  1
  Fe  Fe506  1  0.351859  0.853511  0.655720  1
  Fe  Fe507  1  0.732355  0.413670  0.627593  1
  Fe  Fe508  1  0.018525  0.853511  0.655720  1
  Fe  Fe509  1  0.399021  0.413670  0.627593  1
  Fe  Fe510  1  0.635508  0.301033  0.683620  1
  Fe  Fe511  1  0.065688  0.413670  0.627593  1
  Fe  Fe512  1  0.302175  0.301033  0.683620  1
  Fe  Fe513  1  0.968842  0.301033  0.683620  1
  Fe  Fe514  1  0.805509  0.735752  0.633612  1
  Fe  Fe515  1  0.472176  0.735752  0.633612  1
  Fe  Fe516  1  0.707015  0.616739  0.687370  1
  Fe  Fe517  1  0.138843  0.735752  0.633612  1
  Fe  Fe518  1  0.373682  0.616739  0.687370  1
  Fe  Fe519  1  0.752195  0.176714  0.660244  1
  Fe  Fe520  1  0.040348  0.616739  0.687370  1
  Fe  Fe521  1  0.418862  0.176714  0.660244  1
  Fe  Fe522  1  0.085529  0.176714  0.660244  1
  Fe  Fe523  1  0.818479  0.822066  0.671566  1
  Fe  Fe524  1  0.485146  0.822066  0.671566  1
  Fe  Fe525  1  0.864960  0.383081  0.643593  1
  Fe  Fe526  1  0.151812  0.822066  0.671566  1
  Fe  Fe527  1  0.531627  0.383081  0.643593  1
  Fe  Fe528  1  0.778020  0.251724  0.697727  1
  Fe  Fe529  1  0.198293  0.383081  0.643593  1
  Fe  Fe530  1  0.444687  0.251724  0.697727  1
  Fe  Fe531  1  0.111354  0.251724  0.697727  1
  Fe  Fe532  1  0.523951  0.102663  0.697428  1
  Fe  Fe533  1  0.190618  0.102663  0.697428  1
  Fe  Fe534  1  0.577640  0.653623  0.674463  1
  Fe  Fe535  1  0.857284  0.102663  0.697428  1
  Fe  Fe536  1  0.244307  0.653623  0.674463  1
  Fe  Fe537  1  0.619448  0.221765  0.642596  1
  Fe  Fe538  1  0.910973  0.653623  0.674463  1
  Fe  Fe539  1  0.286115  0.221765  0.642596  1
  Fe  Fe540  1  0.952782  0.221765  0.642596  1
  C  C541  1  0.157920  0.590960  0.307066  1
  C  C542  1  0.824587  0.590960  0.307066  1
  C  C543  1  0.064443  0.467112  0.362936  1
  C  C544  1  0.491254  0.590960  0.307066  1
  C  C545  1  0.731110  0.467112  0.362936  1
  C  C546  1  0.109159  0.028430  0.334237  1
  C  C547  1  0.397777  0.467112  0.362936  1
  C  C548  1  0.775826  0.028430  0.334237  1
  C  C549  1  0.442493  0.028430  0.334237  1
  C  C550  1  0.334049  0.578004  0.303326  1
  C  C551  1  0.000715  0.578004  0.303326  1
  C  C552  1  0.235295  0.458035  0.357552  1
  C  C553  1  0.667382  0.578004  0.303326  1
  C  C554  1  0.901962  0.458035  0.357552  1
  C  C555  1  0.280713  0.018412  0.331638  1
  C  C556  1  0.568629  0.458035  0.357552  1
  C  C557  1  0.947380  0.018412  0.331638  1
  C  C558  1  0.614047  0.018412  0.331638  1
  C  C559  1  0.254047  0.726412  0.349543  1
  C  C560  1  0.920714  0.726412  0.349543  1
  C  C561  1  0.300754  0.288247  0.320833  1
  C  C562  1  0.587381  0.726412  0.349543  1
  C  C563  1  0.967421  0.288247  0.320833  1
  C  C564  1  0.344904  0.852669  0.293672  1
  C  C565  1  0.634088  0.288247  0.320833  1
  C  C566  1  0.011571  0.852669  0.293672  1
  C  C567  1  0.678238  0.852669  0.293672  1
  C  C568  1  0.458364  0.300407  0.324362  1
  C  C569  1  0.125031  0.300407  0.324362  1
  C  C570  1  0.504970  0.861489  0.296665  1
  C  C571  1  0.791698  0.300407  0.324362  1
  C  C572  1  0.171637  0.861489  0.296665  1
  C  C573  1  0.413774  0.740507  0.352429  1
  C  C574  1  0.838303  0.861489  0.296665  1
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