# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.02214954
_cell_length_b   16.38390672
_cell_length_c   47.86381568
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.40094473
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe432 C144'
_cell_volume   13543.946399
_cell_formula_units_Z   144
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  0.298749  0.396219  0.314005  1
  Fe  Fe2  1  0.677051  0.429975  0.292947  1
  Fe  Fe3  1  0.926414  0.347389  0.339890  1
  Fe  Fe4  1  0.298749  0.896219  0.314005  1
  Fe  Fe5  1  0.677051  0.929976  0.292947  1
  Fe  Fe6  1  0.926415  0.847388  0.339890  1
  Fe  Fe7  1  0.489310  0.234042  0.306423  1
  Fe  Fe8  1  0.756982  0.153843  0.352545  1
  Fe  Fe9  1  0.115035  0.201532  0.324519  1
  Fe  Fe10  1  0.489333  0.734043  0.306423  1
  Fe  Fe11  1  0.756982  0.653843  0.352545  1
  Fe  Fe12  1  0.115039  0.701531  0.324519  1
  Fe  Fe13  1  0.336259  0.122738  0.325982  1
  Fe  Fe14  1  0.711323  0.168908  0.305196  1
  Fe  Fe15  1  0.978292  0.077170  0.351290  1
  Fe  Fe16  1  0.336269  0.622740  0.325981  1
  Fe  Fe17  1  0.711337  0.668907  0.305196  1
  Fe  Fe18  1  0.978293  0.577170  0.351290  1
  Fe  Fe19  1  0.340398  0.990389  0.349557  1
  Fe  Fe20  1  0.712967  0.033119  0.327803  1
  Fe  Fe21  1  0.079201  0.076044  0.302049  1
  Fe  Fe22  1  0.340398  0.490389  0.349557  1
  Fe  Fe23  1  0.712967  0.533118  0.327802  1
  Fe  Fe24  1  0.079201  0.576043  0.302049  1
  Fe  Fe25  1  0.466775  0.372299  0.326009  1
  Fe  Fe26  1  0.835800  0.422730  0.302913  1
  Fe  Fe27  1  0.093407  0.334494  0.344923  1
  Fe  Fe28  1  0.466772  0.872299  0.326009  1
  Fe  Fe29  1  0.835796  0.922729  0.302913  1
  Fe  Fe30  1  0.093407  0.834494  0.344923  1
  Fe  Fe31  1  0.334548  0.254005  0.296131  1
  Fe  Fe32  1  0.608408  0.170246  0.344845  1
  Fe  Fe33  1  0.961371  0.212707  0.319423  1
  Fe  Fe34  1  0.334551  0.754002  0.296131  1
  Fe  Fe35  1  0.608408  0.670246  0.344845  1
  Fe  Fe36  1  0.961371  0.712707  0.319423  1
  Fe  Fe37  1  0.593642  0.096334  0.297981  1
  Fe  Fe38  1  0.866193  0.008170  0.342832  1
  Fe  Fe39  1  0.223149  0.056068  0.316678  1
  Fe  Fe40  1  0.593642  0.596341  0.297981  1
  Fe  Fe41  1  0.866194  0.508170  0.342832  1
  Fe  Fe42  1  0.223149  0.556070  0.316678  1
  Fe  Fe43  1  0.500586  0.104977  0.337395  1
  Fe  Fe44  1  0.864692  0.136178  0.315877  1
  Fe  Fe45  1  0.227774  0.186440  0.289243  1
  Fe  Fe46  1  0.500589  0.604974  0.337397  1
  Fe  Fe47  1  0.864692  0.636178  0.315877  1
  Fe  Fe48  1  0.227773  0.686440  0.289244  1
  Fe  Fe49  1  0.386147  0.997847  0.297903  1
  Fe  Fe50  1  0.658064  0.915097  0.345797  1
  Fe  Fe51  1  0.031274  0.956572  0.322424  1
  Fe  Fe52  1  0.386147  0.497847  0.297903  1
  Fe  Fe53  1  0.658068  0.415097  0.345796  1
  Fe  Fe54  1  0.031275  0.456572  0.322424  1
  Fe  Fe55  1  0.398075  0.247071  0.346040  1
  Fe  Fe56  1  0.790502  0.289700  0.324409  1
  Fe  Fe57  1  0.163655  0.335515  0.295203  1
  Fe  Fe58  1  0.398075  0.747072  0.346040  1
  Fe  Fe59  1  0.790502  0.789701  0.324410  1
  Fe  Fe60  1  0.163655  0.835515  0.295203  1
  Fe  Fe61  1  0.528894  0.983803  0.306592  1
  Fe  Fe62  1  0.804462  0.901287  0.358303  1
  Fe  Fe63  1  0.166095  0.949093  0.330133  1
  Fe  Fe64  1  0.528894  0.483802  0.306593  1
  Fe  Fe65  1  0.804463  0.401287  0.358303  1
  Fe  Fe66  1  0.166095  0.449093  0.330133  1
  Fe  Fe67  1  0.247516  0.273149  0.336043  1
  Fe  Fe68  1  0.623658  0.313081  0.315274  1
  Fe  Fe69  1  0.004504  0.335916  0.301230  1
  Fe  Fe70  1  0.247516  0.773151  0.336044  1
  Fe  Fe71  1  0.623657  0.813093  0.315275  1
  Fe  Fe72  1  0.004504  0.835916  0.301230  1
  Fe  Fe73  1  0.197972  0.271254  0.384936  1
  Fe  Fe74  1  0.572699  0.311419  0.362927  1
  Fe  Fe75  1  0.836442  0.222233  0.412223  1
  Fe  Fe76  1  0.197972  0.771254  0.384936  1
  Fe  Fe77  1  0.572698  0.811421  0.362926  1
  Fe  Fe78  1  0.836441  0.722234  0.412223  1
  Fe  Fe79  1  0.386783  0.110599  0.375028  1
  Fe  Fe80  1  0.655690  0.027496  0.423588  1
  Fe  Fe81  1  0.013424  0.076376  0.397402  1
  Fe  Fe82  1  0.386783  0.610599  0.375028  1
  Fe  Fe83  1  0.655690  0.527496  0.423588  1
  Fe  Fe84  1  0.013424  0.576376  0.397402  1
  Fe  Fe85  1  0.234933  0.998823  0.395760  1
  Fe  Fe86  1  0.608615  0.039131  0.374491  1
  Fe  Fe87  1  0.877118  0.952735  0.424074  1
  Fe  Fe88  1  0.234934  0.498823  0.395760  1
  Fe  Fe89  1  0.608615  0.539131  0.374491  1
  Fe  Fe90  1  0.877118  0.452735  0.424074  1
  Fe  Fe91  1  0.241661  0.865905  0.419358  1
  Fe  Fe92  1  0.611767  0.906285  0.398565  1
  Fe  Fe93  1  0.980411  0.947057  0.376828  1
  Fe  Fe94  1  0.241661  0.365904  0.419358  1
  Fe  Fe95  1  0.611767  0.406285  0.398565  1
  Fe  Fe96  1  0.980411  0.447057  0.376828  1
  Fe  Fe97  1  0.365283  0.248709  0.394976  1
  Fe  Fe98  1  0.737022  0.288771  0.373022  1
  Fe  Fe99  1  0.993208  0.209089  0.417575  1
  Fe  Fe100  1  0.365283  0.748709  0.394976  1
  Fe  Fe101  1  0.737022  0.788771  0.373022  1
  Fe  Fe102  1  0.993208  0.709089  0.417575  1
  Fe  Fe103  1  0.233449  0.129954  0.367026  1
  Fe  Fe104  1  0.505639  0.045533  0.414984  1
  Fe  Fe105  1  0.869911  0.087322  0.394264  1
  Fe  Fe106  1  0.233449  0.629953  0.367027  1
  Fe  Fe107  1  0.505639  0.545532  0.414985  1
  Fe  Fe108  1  0.869911  0.587322  0.394264  1
  Fe  Fe109  1  0.488318  0.974876  0.363461  1
  Fe  Fe110  1  0.759471  0.887411  0.414549  1
  Fe  Fe111  1  0.119828  0.933180  0.386679  1
  Fe  Fe112  1  0.488320  0.474873  0.363460  1
  Fe  Fe113  1  0.759471  0.387411  0.414549  1
  Fe  Fe114  1  0.119828  0.433179  0.386679  1
  Fe  Fe115  1  0.399340  0.979185  0.407866  1
  Fe  Fe116  1  0.768912  0.017776  0.387553  1
  Fe  Fe117  1  0.128398  0.063857  0.360371  1
  Fe  Fe118  1  0.399340  0.479185  0.407866  1
  Fe  Fe119  1  0.768912  0.517776  0.387553  1
  Fe  Fe120  1  0.128398  0.563857  0.360371  1
  Fe  Fe121  1  0.283877  0.874513  0.367183  1
  Fe  Fe122  1  0.556941  0.788794  0.415895  1
  Fe  Fe123  1  0.927050  0.830701  0.394332  1
  Fe  Fe124  1  0.283878  0.374513  0.367183  1
  Fe  Fe125  1  0.556941  0.288794  0.415895  1
  Fe  Fe126  1  0.927050  0.330701  0.394332  1
  Fe  Fe127  1  0.299000  0.122395  0.416539  1
  Fe  Fe128  1  0.676961  0.162787  0.395121  1
  Fe  Fe129  1  0.033394  0.206279  0.369361  1
  Fe  Fe130  1  0.299000  0.622395  0.416539  1
  Fe  Fe131  1  0.676961  0.662788  0.395121  1
  Fe  Fe132  1  0.033394  0.706279  0.369361  1
  Fe  Fe133  1  0.433983  0.861459  0.377265  1
  Fe  Fe134  1  0.701961  0.776405  0.427656  1
  Fe  Fe135  1  0.066205  0.819885  0.401268  1
  Fe  Fe136  1  0.433983  0.361459  0.377265  1
  Fe  Fe137  1  0.701961  0.276404  0.427656  1
  Fe  Fe138  1  0.066205  0.319885  0.401268  1
  Fe  Fe139  1  0.146919  0.148362  0.406922  1
  Fe  Fe140  1  0.519015  0.188865  0.383681  1
  Fe  Fe141  1  0.888883  0.223558  0.365662  1
  Fe  Fe142  1  0.146919  0.648362  0.406922  1
  Fe  Fe143  1  0.519016  0.688864  0.383681  1
  Fe  Fe144  1  0.888884  0.723558  0.365662  1
  Fe  Fe145  1  0.096669  0.143788  0.456463  1
  Fe  Fe146  1  0.471658  0.185903  0.432831  1
  Fe  Fe147  1  0.741956  0.100537  0.483164  1
  Fe  Fe148  1  0.096669  0.643788  0.456463  1
  Fe  Fe149  1  0.471658  0.685903  0.432831  1
  Fe  Fe150  1  0.741956  0.600538  0.483164  1
  Fe  Fe151  1  0.285799  0.986823  0.444970  1
  Fe  Fe152  1  0.554942  0.902013  0.494252  1
  Fe  Fe153  1  0.921722  0.945336  0.471943  1
  Fe  Fe154  1  0.285799  0.486823  0.444970  1
  Fe  Fe155  1  0.554942  0.402013  0.494252  1
  Fe  Fe156  1  0.921722  0.445336  0.471943  1
  Fe  Fe157  1  0.142167  0.865890  0.467513  1
  Fe  Fe158  1  0.507412  0.911398  0.444906  1
  Fe  Fe159  1  0.776522  0.827917  0.494884  1
  Fe  Fe160  1  0.142167  0.365890  0.467513  1
  Fe  Fe161  1  0.507412  0.411398  0.444906  1
  Fe  Fe162  1  0.776522  0.327917  0.494884  1
  Fe  Fe163  1  0.143885  0.739230  0.492211  1
  Fe  Fe164  1  0.509169  0.780884  0.468944  1
  Fe  Fe165  1  0.880120  0.822369  0.448582  1
  Fe  Fe166  1  0.143885  0.239230  0.492211  1
  Fe  Fe167  1  0.509169  0.280884  0.468944  1
  Fe  Fe168  1  0.880120  0.322369  0.448582  1
  Fe  Fe169  1  0.265086  0.123453  0.464926  1
  Fe  Fe170  1  0.634542  0.164590  0.443632  1
  Fe  Fe171  1  0.903176  0.080710  0.492607  1
  Fe  Fe172  1  0.265086  0.623453  0.464926  1
  Fe  Fe173  1  0.634542  0.664590  0.443632  1
  Fe  Fe174  1  0.903176  0.580710  0.492607  1
  Fe  Fe175  1  0.131980  0.006060  0.438051  1
  Fe  Fe176  1  0.403553  0.920287  0.485513  1
  Fe  Fe177  1  0.775954  0.960059  0.465292  1
  Fe  Fe178  1  0.131980  0.506061  0.438051  1
  Fe  Fe179  1  0.403553  0.420287  0.485513  1
  Fe  Fe180  1  0.775954  0.460059  0.465292  1
  Fe  Fe181  1  0.388816  0.848773  0.433833  1
  Fe  Fe182  1  0.657420  0.764122  0.484519  1
  Fe  Fe183  1  0.024949  0.805903  0.459648  1
  Fe  Fe184  1  0.388816  0.348773  0.433833  1
  Fe  Fe185  1  0.657419  0.264122  0.484519  1
  Fe  Fe186  1  0.024949  0.305903  0.459648  1
  Fe  Fe187  1  0.297475  0.854420  0.478513  1
  Fe  Fe188  1  0.667307  0.894499  0.457599  1
  Fe  Fe189  1  0.037552  0.935267  0.434126  1
  Fe  Fe190  1  0.297475  0.354420  0.478513  1
  Fe  Fe191  1  0.667308  0.394499  0.457599  1
  Fe  Fe192  1  0.037552  0.435267  0.434126  1
  Fe  Fe193  1  0.185553  0.748102  0.437805  1
  Fe  Fe194  1  0.455596  0.664200  0.486936  1
  Fe  Fe195  1  0.824602  0.705150  0.466076  1
  Fe  Fe196  1  0.185553  0.248102  0.437805  1
  Fe  Fe197  1  0.455597  0.164200  0.486936  1
  Fe  Fe198  1  0.824602  0.205150  0.466076  1
  Fe  Fe199  1  0.200115  0.996695  0.486525  1
  Fe  Fe200  1  0.569408  0.037604  0.465682  1
  Fe  Fe201  1  0.943805  0.079410  0.443630  1
  Fe  Fe202  1  0.200115  0.496695  0.486525  1
  Fe  Fe203  1  0.569408  0.537604  0.465682  1
  Fe  Fe204  1  0.943804  0.579410  0.443630  1
  Fe  Fe205  1  0.334318  0.736563  0.447797  1
  Fe  Fe206  1  0.601733  0.651904  0.497458  1
  Fe  Fe207  1  0.971206  0.692501  0.475587  1
  Fe  Fe208  1  0.334318  0.236563  0.447797  1
  Fe  Fe209  1  0.601733  0.151904  0.497458  1
  Fe  Fe210  1  0.971206  0.192501  0.475587  1
  Fe  Fe211  1  0.055717  0.017519  0.482724  1
  Fe  Fe212  1  0.416770  0.064028  0.453838  1
  Fe  Fe213  1  0.785986  0.103931  0.434086  1
  Fe  Fe214  1  0.055717  0.517519  0.482724  1
  Fe  Fe215  1  0.416770  0.564028  0.453838  1
  Fe  Fe216  1  0.785986  0.603931  0.434086  1
  Fe  Fe217  1  1.001537  0.015914  0.530157  1
  Fe  Fe218  1  0.369553  0.060997  0.503309  1
  Fe  Fe219  1  0.640474  0.976434  0.553066  1
  Fe  Fe220  1  1.001537  0.515914  0.530157  1
  Fe  Fe221  1  0.369553  0.560997  0.503309  1
  Fe  Fe222  1  0.640473  0.476435  0.553066  1
  Fe  Fe223  1  0.182099  0.866102  0.514923  1
  Fe  Fe224  1  0.453755  0.777341  0.564426  1
  Fe  Fe225  1  0.825030  0.817102  0.544225  1
  Fe  Fe226  1  0.182099  0.366102  0.514923  1
  Fe  Fe227  1  0.453755  0.277341  0.564426  1
  Fe  Fe228  1  0.825030  0.317102  0.544225  1
  Fe  Fe229  1  0.046211  0.741506  0.541998  1
  Fe  Fe230  1  0.403862  0.789322  0.515066  1
  Fe  Fe231  1  0.675304  0.702447  0.564986  1
  Fe  Fe232  1  0.046211  0.241506  0.541998  1
  Fe  Fe233  1  0.403862  0.289322  0.515066  1
  Fe  Fe234  1  0.675304  0.202447  0.564986  1
  Fe  Fe235  1  0.047951  0.613273  0.567211  1
  Fe  Fe236  1  0.409120  0.656271  0.538873  1
  Fe  Fe237  1  0.779654  0.695987  0.518699  1
  Fe  Fe238  1  0.047951  0.113273  0.567211  1
  Fe  Fe239  1  0.409120  0.156271  0.538873  1
  Fe  Fe240  1  0.779654  0.195987  0.518699  1
  Fe  Fe241  1  0.161368  0.998536  0.534955  1
  Fe  Fe242  1  0.533794  0.039683  0.514541  1
  Fe  Fe243  1  0.805173  0.954899  0.564896  1
  Fe  Fe244  1  0.161368  0.498536  0.534955  1
  Fe  Fe245  1  0.533794  0.539683  0.514541  1
  Fe  Fe246  1  0.805173  0.454899  0.564896  1
  Fe  Fe247  1  0.032206  0.882443  0.512046  1
  Fe  Fe248  1  0.299899  0.795269  0.556070  1
  Fe  Fe249  1  0.674633  0.835622  0.535257  1
  Fe  Fe250  1  0.032206  0.382443  0.512046  1
  Fe  Fe251  1  0.299899  0.295269  0.556070  1
  Fe  Fe252  1  0.674633  0.335622  0.535257  1
  Fe  Fe253  1  0.288328  0.723166  0.504570  1
  Fe  Fe254  1  0.556669  0.639802  0.553870  1
  Fe  Fe255  1  0.927759  0.678931  0.532705  1
  Fe  Fe256  1  0.288328  0.223166  0.504570  1
  Fe  Fe257  1  0.556669  0.139802  0.553870  1
  Fe  Fe258  1  0.927759  0.178931  0.532705  1
  Fe  Fe259  1  0.199407  0.726605  0.550366  1
  Fe  Fe260  1  0.566713  0.769948  0.527709  1
  Fe  Fe261  1  0.939944  0.809482  0.507145  1
  Fe  Fe262  1  0.199407  0.226605  0.550366  1
  Fe  Fe263  1  0.566713  0.269948  0.527709  1
  Fe  Fe264  1  0.939944  0.309482  0.507145  1
  Fe  Fe265  1  0.095317  0.620953  0.512373  1
  Fe  Fe266  1  0.352058  0.540225  0.556352  1
  Fe  Fe267  1  0.725095  0.578857  0.536349  1
  Fe  Fe268  1  0.095317  0.120953  0.512373  1
  Fe  Fe269  1  0.352058  0.040225  0.556352  1
  Fe  Fe270  1  0.725095  0.078857  0.536349  1
  Fe  Fe271  1  0.110377  0.871019  0.559072  1
  Fe  Fe272  1  0.467586  0.912805  0.535995  1
  Fe  Fe273  1  0.845109  0.952415  0.515852  1
  Fe  Fe274  1  0.110377  0.371019  0.559072  1
  Fe  Fe275  1  0.467586  0.412805  0.535995  1
  Fe  Fe276  1  0.845109  0.452415  0.515852  1
  Fe  Fe277  1  0.234706  0.611296  0.518701  1
  Fe  Fe278  1  0.501407  0.528108  0.567446  1
  Fe  Fe279  1  0.873020  0.566878  0.547532  1
  Fe  Fe280  1  0.234706  0.111296  0.518701  1
  Fe  Fe281  1  0.501407  0.028108  0.567446  1
  Fe  Fe282  1  0.873020  0.066878  0.547532  1
  Fe  Fe283  1  0.959270  0.890108  0.555988  1
  Fe  Fe284  1  0.315506  0.938398  0.524542  1
  Fe  Fe285  1  0.686570  0.979686  0.503663  1
  Fe  Fe286  1  0.959270  0.390108  0.555988  1
  Fe  Fe287  1  0.315506  0.438398  0.524542  1
  Fe  Fe288  1  0.686570  0.479686  0.503663  1
  Fe  Fe289  1  0.907564  0.890487  0.602493  1
  Fe  Fe290  1  0.262139  0.935936  0.574105  1
  Fe  Fe291  1  0.539238  0.852525  0.623049  1
  Fe  Fe292  1  0.907564  0.390487  0.602493  1
  Fe  Fe293  1  0.262139  0.435936  0.574105  1
  Fe  Fe294  1  0.539238  0.352525  0.623049  1
  Fe  Fe295  1  0.082007  0.743297  0.587666  1
  Fe  Fe296  1  0.351192  0.654613  0.634302  1
  Fe  Fe297  1  0.723897  0.691869  0.614430  1
  Fe  Fe298  1  0.082007  0.243297  0.587666  1
  Fe  Fe299  1  0.351192  0.154613  0.634302  1
  Fe  Fe300  1  0.723897  0.191869  0.614430  1
  Fe  Fe301  1  0.945666  0.620985  0.614082  1
  Fe  Fe302  1  0.303228  0.663309  0.584845  1
  Fe  Fe303  1  0.572810  0.578952  0.635003  1
  Fe  Fe304  1  0.945666  0.120985  0.614082  1
  Fe  Fe305  1  0.303228  0.163309  0.584845  1
  Fe  Fe306  1  0.572810  0.078952  0.635003  1
  Fe  Fe307  1  0.950471  0.488010  0.637996  1
  Fe  Fe308  1  0.308803  0.532128  0.609008  1
  Fe  Fe309  1  0.678162  0.571091  0.588764  1
  Fe  Fe310  1  0.950471  0.988010  0.637996  1
  Fe  Fe311  1  0.308803  0.032128  0.609008  1
  Fe  Fe312  1  0.678162  0.071091  0.588764  1
  Fe  Fe313  1  0.061821  0.872810  0.607897  1
  Fe  Fe314  1  0.432164  0.915015  0.584618  1
  Fe  Fe315  1  0.701988  0.828941  0.634055  1
  Fe  Fe316  1  0.061821  0.372810  0.607897  1
  Fe  Fe317  1  0.432164  0.415015  0.584618  1
  Fe  Fe318  1  0.701988  0.328941  0.634055  1
  Fe  Fe319  1  0.942134  0.751440  0.584845  1
  Fe  Fe320  1  0.192552  0.673912  0.628256  1
  Fe  Fe321  1  0.573215  0.710798  0.605339  1
  Fe  Fe322  1  0.942134  0.251440  0.584845  1
  Fe  Fe323  1  0.192552  0.173912  0.628256  1
  Fe  Fe324  1  0.573215  0.210798  0.605339  1
  Fe  Fe325  1  0.191777  0.596283  0.576697  1
  Fe  Fe326  1  0.453754  0.516220  0.623543  1
  Fe  Fe327  1  0.826759  0.554217  0.603844  1
  Fe  Fe328  1  0.191777  0.096283  0.576697  1
  Fe  Fe329  1  0.453754  0.016220  0.623543  1
  Fe  Fe330  1  0.826759  0.054217  0.603844  1
  Fe  Fe331  1  0.107316  0.597924  0.625421  1
  Fe  Fe332  1  0.464569  0.646223  0.597895  1
  Fe  Fe333  1  0.837051  0.684653  0.577538  1
  Fe  Fe334  1  0.107316  0.097924  0.625421  1
  Fe  Fe335  1  0.464569  0.146223  0.597895  1
  Fe  Fe336  1  0.837051  0.184653  0.577539  1
  Fe  Fe337  1  0.996602  0.496099  0.585511  1
  Fe  Fe338  1  0.252610  0.416003  0.627485  1
  Fe  Fe339  1  0.623285  0.454464  0.606405  1
  Fe  Fe340  1  0.996602  0.996099  0.585511  1
  Fe  Fe341  1  0.252610  0.916003  0.627485  1
  Fe  Fe342  1  0.623285  0.954464  0.606405  1
  Fe  Fe343  1  0.019742  0.744702  0.634045  1
  Fe  Fe344  1  0.365958  0.789000  0.605650  1
  Fe  Fe345  1  0.737604  0.827711  0.585742  1
  Fe  Fe346  1  0.019742  0.244702  0.634045  1
  Fe  Fe347  1  0.365958  0.289000  0.605650  1
  Fe  Fe348  1  0.737604  0.327711  0.585742  1
  Fe  Fe349  1  0.138372  0.485140  0.592807  1
  Fe  Fe350  1  0.398165  0.404172  0.636934  1
  Fe  Fe351  1  0.771797  0.442691  0.617347  1
  Fe  Fe352  1  0.138372  0.985140  0.592807  1
  Fe  Fe353  1  0.398165  0.904172  0.636934  1
  Fe  Fe354  1  0.771797  0.942691  0.617347  1
  Fe  Fe355  1  0.856527  0.768342  0.624459  1
  Fe  Fe356  1  0.217205  0.810359  0.599021  1
  Fe  Fe357  1  0.584521  0.855239  0.573824  1
  Fe  Fe358  1  0.856527  0.268342  0.624459  1
  Fe  Fe359  1  0.217205  0.310359  0.599021  1
  Fe  Fe360  1  0.584521  0.355239  0.573824  1
  Fe  Fe361  1  0.807041  0.767304  0.672996  1
  Fe  Fe362  1  0.159932  0.807092  0.646835  1
  Fe  Fe363  1  0.447336  0.729708  0.693114  1
  Fe  Fe364  1  0.807041  0.267304  0.672996  1
  Fe  Fe365  1  0.159932  0.307092  0.646835  1
  Fe  Fe366  1  0.447336  0.229708  0.693114  1
  Fe  Fe367  1  0.989242  0.611750  0.662552  1
  Fe  Fe368  1  0.245783  0.546172  0.704981  1
  Fe  Fe369  1  0.620810  0.569176  0.684172  1
  Fe  Fe370  1  0.989242  0.111750  0.662552  1
  Fe  Fe371  1  0.245783  0.046172  0.704981  1
  Fe  Fe372  1  0.620810  0.069176  0.684172  1
  Fe  Fe373  1  0.841968  0.494894  0.683405  1
  Fe  Fe374  1  0.209284  0.532244  0.657485  1
  Fe  Fe375  1  0.466889  0.459058  0.702386  1
  Fe  Fe376  1  0.841968  0.994894  0.683405  1
  Fe  Fe377  1  0.209284  0.032244  0.657485  1
  Fe  Fe378  1  0.466889  0.959058  0.702386  1
  Fe  Fe379  1  0.846731  0.363808  0.707684  1
  Fe  Fe380  1  0.216604  0.406769  0.682637  1
  Fe  Fe381  1  0.575496  0.446995  0.658628  1
  Fe  Fe382  1  0.846731  0.863808  0.707684  1
  Fe  Fe383  1  0.216604  0.906769  0.682637  1
  Fe  Fe384  1  0.575496  0.946995  0.658628  1
  Fe  Fe385  1  0.969192  0.745241  0.682766  1
  Fe  Fe386  1  0.330272  0.790961  0.653966  1
  Fe  Fe387  1  0.604281  0.707985  0.705267  1
  Fe  Fe388  1  0.969192  0.245241  0.682766  1
  Fe  Fe389  1  0.330272  0.290961  0.653966  1
  Fe  Fe390  1  0.604281  0.207985  0.705267  1
  Fe  Fe391  1  0.841724  0.626516  0.655255  1
  Fe  Fe392  1  0.111430  0.536218  0.702545  1
  Fe  Fe393  1  0.471311  0.584050  0.675217  1
  Fe  Fe394  1  0.841724  0.126516  0.655255  1
  Fe  Fe395  1  0.111430  0.036218  0.702545  1
  Fe  Fe396  1  0.471311  0.084050  0.675217  1
  Fe  Fe397  1  0.094756  0.468593  0.651142  1
  Fe  Fe398  1  0.353603  0.392908  0.693093  1
  Fe  Fe399  1  0.724563  0.431740  0.673214  1
  Fe  Fe400  1  0.094756  0.968593  0.651142  1
  Fe  Fe401  1  0.353603  0.892908  0.693093  1
  Fe  Fe402  1  0.724563  0.931740  0.673214  1
  Fe  Fe403  1  0.004231  0.474140  0.697097  1
  Fe  Fe404  1  0.360684  0.522554  0.667484  1
  Fe  Fe405  1  0.734978  0.560593  0.648028  1
  Fe  Fe406  1  0.004231  0.974140  0.697097  1
  Fe  Fe407  1  0.360684  0.022554  0.667484  1
  Fe  Fe408  1  0.734978  0.060593  0.648028  1
  Fe  Fe409  1  0.892204  0.370333  0.656058  1
  Fe  Fe410  1  0.154498  0.302498  0.700060  1
  Fe  Fe411  1  0.520800  0.330824  0.676451  1
  Fe  Fe412  1  0.892204  0.870333  0.656058  1
  Fe  Fe413  1  0.154498  0.802498  0.700060  1
  Fe  Fe414  1  0.520800  0.830824  0.676451  1
  Fe  Fe415  1  0.896637  0.620733  0.704409  1
  Fe  Fe416  1  0.261785  0.665413  0.675690  1
  Fe  Fe417  1  0.633390  0.703590  0.655602  1
  Fe  Fe418  1  0.896637  0.120733  0.704409  1
  Fe  Fe419  1  0.261785  0.165413  0.675690  1
  Fe  Fe420  1  0.633390  0.203590  0.655602  1
  Fe  Fe421  1  0.038123  0.356837  0.667020  1
  Fe  Fe422  1  0.306843  0.265336  0.706740  1
  Fe  Fe423  1  0.669316  0.317819  0.687714  1
  Fe  Fe424  1  0.038123  0.856837  0.667020  1
  Fe  Fe425  1  0.306843  0.765336  0.706740  1
  Fe  Fe426  1  0.669316  0.817819  0.687714  1
  Fe  Fe427  1  0.751938  0.646845  0.692922  1
  Fe  Fe428  1  0.122052  0.681058  0.675187  1
  Fe  Fe429  1  0.482951  0.730851  0.643269  1
  Fe  Fe430  1  0.751938  0.146845  0.692922  1
  Fe  Fe431  1  0.122052  0.181058  0.675187  1
  Fe  Fe432  1  0.482951  0.230851  0.643269  1
  C  C433  1  0.285737  0.988275  0.287857  1
  C  C434  1  0.557426  0.903996  0.336878  1
  C  C435  1  0.932402  0.937967  0.315311  1
  C  C436  1  0.285738  0.488275  0.287857  1
  C  C437  1  0.557416  0.404003  0.336879  1
  C  C438  1  0.932398  0.437967  0.315311  1
  C  C439  1  0.372397  0.369127  0.344076  1
  C  C440  1  0.748166  0.411424  0.323782  1
  C  C441  1  0.110774  0.455310  0.295513  1
  C  C442  1  0.372399  0.869126  0.344076  1
  C  C443  1  0.748171  0.911422  0.323781  1
  C  C444  1  0.110775  0.955309  0.295512  1
  C  C445  1  0.417072  0.170844  0.314616  1
  C  C446  1  0.791547  0.216684  0.292912  1
  C  C447  1  0.049424  0.134553  0.336870  1
  C  C448  1  0.417054  0.670838  0.314616  1
  C  C449  1  0.791543  0.716681  0.292912  1
  C  C450  1  0.049423  0.634552  0.336870  1
  C  C451  1  0.600259  0.208550  0.306723  1
  C  C452  1  0.867881  0.118825  0.355616  1
  C  C453  1  0.225664  0.167028  0.328792  1
  C  C454  1  0.600229  0.708542  0.306722  1
  C  C455  1  0.867880  0.618825  0.355616  1
  C  C456  1  0.225655  0.667029  0.328790  1
  C  C457  1  0.183206  0.862947  0.358558  1
  C  C458  1  0.456248  0.778319  0.406714  1
  C  C459  1  0.826353  0.816774  0.387342  1
  C  C460  1  0.183205  0.362948  0.358559  1
  C  C461  1  0.456249  0.278319  0.406714  1
  C  C462  1  0.826353  0.316774  0.387342  1
  C  C463  1  0.273263  0.244421  0.414468  1
  C  C464  1  0.645787  0.285016  0.393151  1
  C  C465  1  0.007012  0.328177  0.367462  1
  C  C466  1  0.273263  0.744422  0.414468  1
  C  C467  1  0.645788  0.785016  0.393152  1
  C  C468  1  0.007012  0.828177  0.367462  1
  C  C469  1  0.316594  0.046446  0.385063  1
  C  C470  1  0.690049  0.086998  0.363684  1
  C  C471  1  0.954513  0.004890  0.411956  1
  C  C472  1  0.316593  0.546447  0.385063  1
  C  C473  1  0.690049  0.586998  0.363684  1
  C  C474  1  0.954513  0.504890  0.411956  1
  C  C475  1  0.497783  0.082215  0.376703  1
  C  C476  1  0.766472  0.996493  0.426980  1
  C  C477  1  0.124529  0.042463  0.399744  1
  C  C478  1  0.497784  0.582217  0.376702  1
  C  C479  1  0.766472  0.496493  0.426980  1
  C  C480  1  0.124529  0.542463  0.399744  1
  C  C481  1  0.084268  0.736233  0.430524  1
  C  C482  1  0.355394  0.653369  0.477227  1
  C  C483  1  0.724073  0.693649  0.457220  1
  C  C484  1  0.084268  0.236233  0.430524  1
  C  C485  1  0.355394  0.153369  0.477227  1
  C  C486  1  0.724073  0.193649  0.457220  1
  C  C487  1  0.174394  0.118789  0.485196  1
  C  C488  1  0.543295  0.159640  0.463502  1
  C  C489  1  0.910891  0.201633  0.442028  1
  C  C490  1  0.174394  0.618789  0.485196  1
  C  C491  1  0.543295  0.659640  0.463502  1
  C  C492  1  0.910891  0.701633  0.442028  1
  C  C493  1  0.216613  0.921401  0.454893  1
  C  C494  1  0.586765  0.962274  0.434040  1
  C  C495  1  0.857312  0.877048  0.484340  1
  C  C496  1  0.216613  0.421400  0.454893  1
  C  C497  1  0.586764  0.462275  0.434039  1
  C  C498  1  0.857312  0.377048  0.484340  1
  C  C499  1  0.396780  0.956579  0.447196  1
  C  C500  1  0.665814  0.872627  0.497005  1
  C  C501  1  0.032848  0.913262  0.473426  1
  C  C502  1  0.396779  0.456579  0.447195  1
  C  C503  1  0.665814  0.372627  0.497005  1
  C  C504  1  0.032848  0.413262  0.473426  1
  C  C505  1  0.993934  0.609451  0.505069  1
  C  C506  1  0.252021  0.526901  0.547711  1
  C  C507  1  0.624399  0.568871  0.526928  1
  C  C508  1  0.993934  0.109451  0.505069  1
  C  C509  1  0.252021  0.026901  0.547711  1
  C  C510  1  0.624399  0.068871  0.526928  1
  C  C511  1  0.078085  0.993333  0.559280  1
  C  C512  1  0.441663  0.034827  0.533843  1
  C  C513  1  0.814162  0.074584  0.513674  1
  C  C514  1  0.078085  0.493333  0.559280  1
  C  C515  1  0.441663  0.534827  0.533843  1
  C  C516  1  0.814162  0.574584  0.513674  1
  C  C517  1  0.118690  0.796809  0.527411  1
  C  C518  1  0.485302  0.837317  0.504395  1
  C  C519  1  0.755653  0.751949  0.554213  1
  C  C520  1  0.118690  0.296809  0.527411  1
  C  C521  1  0.485301  0.337317  0.504395  1
  C  C522  1  0.755653  0.251949  0.554213  1
  C  C523  1  0.293112  0.832251  0.517821  1
  C  C524  1  0.564648  0.747766  0.567081  1
  C  C525  1  0.936041  0.786239  0.546391  1
  C  C526  1  0.293112  0.332251  0.517821  1
  C  C527  1  0.564648  0.247766  0.567081  1
  C  C528  1  0.936041  0.286239  0.546391  1
  C  C529  1  0.895931  0.484151  0.577108  1
  C  C530  1  0.152282  0.399968  0.621451  1
  C  C531  1  0.522453  0.445031  0.596907  1
  C  C532  1  0.895931  0.984151  0.577108  1
  C  C533  1  0.152282  0.899968  0.621451  1
  C  C534  1  0.522453  0.945031  0.596907  1
  C  C535  1  0.980185  0.866651  0.632879  1
  C  C536  1  0.338788  0.911048  0.603222  1
  C  C537  1  0.712343  0.949709  0.583661  1
  C  C538  1  0.980185  0.366651  0.632879  1
  C  C539  1  0.338788  0.411048  0.603222  1
  C  C540  1  0.712343  0.449708  0.583661  1
  C  C541  1  0.026432  0.669286  0.602806  1
  C  C542  1  0.383670  0.712861  0.574225  1
  C  C543  1  0.654167  0.627008  0.624285  1
  C  C544  1  0.026432  0.169286  0.602806  1
  C  C545  1  0.383670  0.212861  0.574225  1
  C  C546  1  0.654167  0.127008  0.624285  1
  C  C547  1  0.193107  0.706720  0.589750  1
  C  C548  1  0.462102  0.623553  0.637228  1
  C  C549  1  0.834827  0.662287  0.616891  1
  C  C550  1  0.193107  0.206720  0.589750  1
  C  C551  1  0.462102  0.123553  0.637228  1
  C  C552  1  0.834827  0.162287  0.616891  1
  C  C553  1  0.791994  0.358981  0.646610  1
  C  C554  1  0.058518  0.274177  0.696634  1
  C  C555  1  0.420679  0.320678  0.666278  1
  C  C556  1  0.791994  0.858981  0.646610  1
  C  C557  1  0.058518  0.774177  0.696634  1
  C  C558  1  0.420679  0.820678  0.666278  1
  C  C559  1  0.878933  0.742046  0.703609  1
  C  C560  1  0.239977  0.787193  0.674656  1
  C  C561  1  0.610277  0.825480  0.653893  1
  C  C562  1  0.878933  0.242046  0.703609  1
  C  C563  1  0.239977  0.287193  0.674656  1
  C  C564  1  0.610277  0.325481  0.653893  1
  C  C565  1  0.924077  0.542803  0.673583  1
  C  C566  1  0.280443  0.590742  0.643882  1
  C  C567  1  0.553296  0.502017  0.694363  1
  C  C568  1  0.924077  0.042803  0.673583  1
  C  C569  1  0.280443  0.090742  0.643882  1
  C  C570  1  0.553296  0.002017  0.694363  1
  C  C571  1  0.100303  0.577068  0.664714  1
  C  C572  1  0.356603  0.502066  0.706917  1
  C  C573  1  0.731622  0.539029  0.687412  1
  C  C574  1  0.100303  0.077068  0.664714  1
  C  C575  1  0.356603  0.002066  0.706917  1
  C  C576  1  0.731622  0.039029  0.687412  1
