# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.29568160
_cell_length_b   16.30126267
_cell_length_c   48.88333743
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   135.60578749
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe432 C144'
_cell_volume   12986.7904827
_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  0.945367  0.892372  0.286173  1
  Fe  Fe2  1  0.612034  0.892372  0.286173  1
  Fe  Fe3  1  0.719963  0.773111  0.322347  1
  Fe  Fe4  1  0.278701  0.892372  0.286173  1
  Fe  Fe5  1  0.386630  0.773111  0.322347  1
  Fe  Fe6  1  0.330016  0.329709  0.303685  1
  Fe  Fe7  1  0.053296  0.773111  0.322347  1
  Fe  Fe8  1  0.996682  0.329709  0.303685  1
  Fe  Fe9  1  0.663349  0.329709  0.303685  1
  Fe  Fe10  1  0.070963  0.142138  0.286231  1
  Fe  Fe11  1  0.737630  0.142138  0.286231  1
  Fe  Fe12  1  0.843727  0.021602  0.323081  1
  Fe  Fe13  1  0.404296  0.142138  0.286231  1
  Fe  Fe14  1  0.510394  0.021602  0.323081  1
  Fe  Fe15  1  0.459220  0.582717  0.304599  1
  Fe  Fe16  1  0.177060  0.021602  0.323081  1
  Fe  Fe17  1  0.125886  0.582717  0.304599  1
  Fe  Fe18  1  0.792553  0.582717  0.304599  1
  Fe  Fe19  1  0.180490  0.141625  0.289812  1
  Fe  Fe20  1  0.847156  0.141625  0.289812  1
  Fe  Fe21  1  0.955412  0.015942  0.325552  1
  Fe  Fe22  1  0.513823  0.141625  0.289812  1
  Fe  Fe23  1  0.622078  0.015942  0.325552  1
  Fe  Fe24  1  0.565238  0.577560  0.307581  1
  Fe  Fe25  1  0.288745  0.015942  0.325552  1
  Fe  Fe26  1  0.231905  0.577560  0.307581  1
  Fe  Fe27  1  0.898572  0.577560  0.307581  1
  Fe  Fe28  1  0.116591  0.338134  0.302862  1
  Fe  Fe29  1  0.783257  0.338134  0.302862  1
  Fe  Fe30  1  0.731581  0.900534  0.285722  1
  Fe  Fe31  1  0.449924  0.338134  0.302862  1
  Fe  Fe32  1  0.398248  0.900534  0.285722  1
  Fe  Fe33  1  0.503436  0.779063  0.321662  1
  Fe  Fe34  1  0.064915  0.900534  0.285722  1
  Fe  Fe35  1  0.170102  0.779063  0.321662  1
  Fe  Fe36  1  0.836769  0.779063  0.321662  1
  Fe  Fe37  1  0.219770  0.332273  0.302132  1
  Fe  Fe38  1  0.886437  0.332273  0.302132  1
  Fe  Fe39  1  0.834899  0.894779  0.284148  1
  Fe  Fe40  1  0.553104  0.332273  0.302132  1
  Fe  Fe41  1  0.501565  0.894779  0.284148  1
  Fe  Fe42  1  0.609172  0.779496  0.320390  1
  Fe  Fe43  1  0.168232  0.894779  0.284148  1
  Fe  Fe44  1  0.275838  0.779496  0.320390  1
  Fe  Fe45  1  0.942505  0.779496  0.320390  1
  Fe  Fe46  1  0.950995  0.128262  0.287687  1
  Fe  Fe47  1  0.617661  0.128262  0.287687  1
  Fe  Fe48  1  0.726203  0.015175  0.325442  1
  Fe  Fe49  1  0.284328  0.128262  0.287687  1
  Fe  Fe50  1  0.392870  0.015175  0.325442  1
  Fe  Fe51  1  0.338688  0.573645  0.306312  1
  Fe  Fe52  1  0.059537  0.015175  0.325442  1
  Fe  Fe53  1  0.005354  0.573645  0.306312  1
  Fe  Fe54  1  0.672021  0.573645  0.306312  1
  Fe  Fe55  1  0.107121  0.214199  0.341180  1
  Fe  Fe56  1  0.773788  0.214199  0.341180  1
  Fe  Fe57  1  0.882218  0.097257  0.378386  1
  Fe  Fe58  1  0.440455  0.214199  0.341180  1
  Fe  Fe59  1  0.548885  0.097257  0.378386  1
  Fe  Fe60  1  0.494215  0.655187  0.359415  1
  Fe  Fe61  1  0.215552  0.097257  0.378386  1
  Fe  Fe62  1  0.160882  0.655187  0.359415  1
  Fe  Fe63  1  0.827548  0.655187  0.359415  1
  Fe  Fe64  1  0.230828  0.463262  0.341111  1
  Fe  Fe65  1  0.897494  0.463262  0.341111  1
  Fe  Fe66  1  0.006348  0.345988  0.378594  1
  Fe  Fe67  1  0.564161  0.463262  0.341111  1
  Fe  Fe68  1  0.673015  0.345988  0.378594  1
  Fe  Fe69  1  0.618601  0.903263  0.360337  1
  Fe  Fe70  1  0.339681  0.345988  0.378594  1
  Fe  Fe71  1  0.285268  0.903263  0.360337  1
  Fe  Fe72  1  0.951934  0.903263  0.360337  1
  Fe  Fe73  1  0.342490  0.456175  0.343789  1
  Fe  Fe74  1  0.009156  0.456175  0.343789  1
  Fe  Fe75  1  0.117676  0.340057  0.380814  1
  Fe  Fe76  1  0.675823  0.456175  0.343789  1
  Fe  Fe77  1  0.784342  0.340057  0.380814  1
  Fe  Fe78  1  0.729621  0.897500  0.362395  1
  Fe  Fe79  1  0.451009  0.340057  0.380814  1
  Fe  Fe80  1  0.396287  0.897500  0.362395  1
  Fe  Fe81  1  0.062954  0.897500  0.362395  1
  Fe  Fe82  1  0.278471  0.661051  0.357156  1
  Fe  Fe83  1  0.945137  0.661051  0.357156  1
  Fe  Fe84  1  0.890500  0.220613  0.340341  1
  Fe  Fe85  1  0.611804  0.661051  0.357156  1
  Fe  Fe86  1  0.557167  0.220613  0.340341  1
  Fe  Fe87  1  0.666010  0.103480  0.376297  1
  Fe  Fe88  1  0.223834  0.220613  0.340341  1
  Fe  Fe89  1  0.332677  0.103480  0.376297  1
  Fe  Fe90  1  0.999343  0.103480  0.376297  1
  Fe  Fe91  1  0.383280  0.661775  0.357514  1
  Fe  Fe92  1  0.049946  0.661775  0.357514  1
  Fe  Fe93  1  0.995334  0.221276  0.339247  1
  Fe  Fe94  1  0.716613  0.661775  0.357514  1
  Fe  Fe95  1  0.662000  0.221276  0.339247  1
  Fe  Fe96  1  0.771463  0.105186  0.376277  1
  Fe  Fe97  1  0.328667  0.221276  0.339247  1
  Fe  Fe98  1  0.438130  0.105186  0.376277  1
  Fe  Fe99  1  0.104796  0.105186  0.376277  1
  Fe  Fe100  1  0.113954  0.455870  0.343408  1
  Fe  Fe101  1  0.780621  0.455870  0.343408  1
  Fe  Fe102  1  0.889214  0.340148  0.380677  1
  Fe  Fe103  1  0.447288  0.455870  0.343408  1
  Fe  Fe104  1  0.555881  0.340148  0.380677  1
  Fe  Fe105  1  0.501272  0.898346  0.362700  1
  Fe  Fe106  1  0.222547  0.340148  0.380677  1
  Fe  Fe107  1  0.167939  0.898346  0.362700  1
  Fe  Fe108  1  0.834606  0.898346  0.362700  1
  Fe  Fe109  1  0.269586  0.539058  0.396715  1
  Fe  Fe110  1  0.936253  0.539058  0.396715  1
  Fe  Fe111  1  0.045133  0.423405  0.433836  1
  Fe  Fe112  1  0.602919  0.539058  0.396715  1
  Fe  Fe113  1  0.711799  0.423405  0.433836  1
  Fe  Fe114  1  0.657625  0.981306  0.415565  1
  Fe  Fe115  1  0.378466  0.423405  0.433836  1
  Fe  Fe116  1  0.324292  0.981306  0.415565  1
  Fe  Fe117  1  0.990959  0.981306  0.415565  1
  Fe  Fe118  1  0.394015  0.787754  0.397165  1
  Fe  Fe119  1  0.060682  0.787754  0.397165  1
  Fe  Fe120  1  0.169603  0.672380  0.434046  1
  Fe  Fe121  1  0.727349  0.787754  0.397165  1
  Fe  Fe122  1  0.836269  0.672380  0.434046  1
  Fe  Fe123  1  0.782015  0.230444  0.415722  1
  Fe  Fe124  1  0.502936  0.672380  0.434046  1
  Fe  Fe125  1  0.448682  0.230444  0.415722  1
  Fe  Fe126  1  0.115348  0.230444  0.415722  1
  Fe  Fe127  1  0.505066  0.781198  0.399051  1
  Fe  Fe128  1  0.171732  0.781198  0.399051  1
  Fe  Fe129  1  0.280590  0.665381  0.436194  1
  Fe  Fe130  1  0.838399  0.781198  0.399051  1
  Fe  Fe131  1  0.947257  0.665381  0.436194  1
  Fe  Fe132  1  0.893079  0.223900  0.417785  1
  Fe  Fe133  1  0.613923  0.665381  0.436194  1
  Fe  Fe134  1  0.559746  0.223900  0.417785  1
  Fe  Fe135  1  0.226413  0.223900  0.417785  1
  Fe  Fe136  1  0.441365  0.987626  0.413450  1
  Fe  Fe137  1  0.108032  0.987626  0.413450  1
  Fe  Fe138  1  0.053829  0.545441  0.394518  1
  Fe  Fe139  1  0.774698  0.987626  0.413450  1
  Fe  Fe140  1  0.720496  0.545441  0.394518  1
  Fe  Fe141  1  0.829239  0.429870  0.431753  1
  Fe  Fe142  1  0.387162  0.545441  0.394518  1
  Fe  Fe143  1  0.495906  0.429870  0.431753  1
  Fe  Fe144  1  0.162573  0.429870  0.431753  1
  Fe  Fe145  1  0.546440  0.987771  0.413321  1
  Fe  Fe146  1  0.213107  0.987771  0.413321  1
  Fe  Fe147  1  0.158683  0.545923  0.394681  1
  Fe  Fe148  1  0.879774  0.987771  0.413321  1
  Fe  Fe149  1  0.825350  0.545923  0.394681  1
  Fe  Fe150  1  0.934189  0.429920  0.431774  1
  Fe  Fe151  1  0.492017  0.545923  0.394681  1
  Fe  Fe152  1  0.600856  0.429920  0.431774  1
  Fe  Fe153  1  0.267523  0.429920  0.431774  1
  Fe  Fe154  1  0.277221  0.781553  0.398947  1
  Fe  Fe155  1  0.943888  0.781553  0.398947  1
  Fe  Fe156  1  0.052276  0.665611  0.436056  1
  Fe  Fe157  1  0.610554  0.781553  0.398947  1
  Fe  Fe158  1  0.718942  0.665611  0.436056  1
  Fe  Fe159  1  0.664523  0.223848  0.417762  1
  Fe  Fe160  1  0.385609  0.665611  0.436056  1
  Fe  Fe161  1  0.331190  0.223848  0.417762  1
  Fe  Fe162  1  0.997856  0.223848  0.417762  1
  Fe  Fe163  1  0.432819  0.865307  0.452362  1
  Fe  Fe164  1  0.099486  0.865307  0.452362  1
  Fe  Fe165  1  0.208206  0.749475  0.489314  1
  Fe  Fe166  1  0.766152  0.865307  0.452362  1
  Fe  Fe167  1  0.874872  0.749475  0.489314  1
  Fe  Fe168  1  0.820566  0.307554  0.470929  1
  Fe  Fe169  1  0.541539  0.749475  0.489314  1
  Fe  Fe170  1  0.487233  0.307554  0.470929  1
  Fe  Fe171  1  0.153900  0.307554  0.470929  1
  Fe  Fe172  1  0.557372  0.114464  0.452742  1
  Fe  Fe173  1  0.224039  0.114464  0.452742  1
  Fe  Fe174  1  0.332666  0.998364  0.489751  1
  Fe  Fe175  1  0.890706  0.114464  0.452742  1
  Fe  Fe176  1  0.999333  0.998364  0.489751  1
  Fe  Fe177  1  0.945017  0.556498  0.471170  1
  Fe  Fe178  1  0.665999  0.998364  0.489751  1
  Fe  Fe179  1  0.611683  0.556498  0.471170  1
  Fe  Fe180  1  0.278350  0.556498  0.471170  1
  Fe  Fe181  1  0.668296  0.107989  0.454785  1
  Fe  Fe182  1  0.334963  0.107989  0.454785  1
  Fe  Fe183  1  0.443679  0.992065  0.491849  1
  Fe  Fe184  1  0.001629  0.107989  0.454785  1
  Fe  Fe185  1  0.110345  0.992065  0.491849  1
  Fe  Fe186  1  0.056029  0.549827  0.473297  1
  Fe  Fe187  1  0.777012  0.992065  0.491849  1
  Fe  Fe188  1  0.722696  0.549827  0.473297  1
  Fe  Fe189  1  0.389363  0.549827  0.473297  1
  Fe  Fe190  1  0.604609  0.313949  0.468820  1
  Fe  Fe191  1  0.271276  0.313949  0.468820  1
  Fe  Fe192  1  0.216944  0.871894  0.450421  1
  Fe  Fe193  1  0.937943  0.313949  0.468820  1
  Fe  Fe194  1  0.883611  0.871894  0.450421  1
  Fe  Fe195  1  0.992371  0.755933  0.487346  1
  Fe  Fe196  1  0.550277  0.871894  0.450421  1
  Fe  Fe197  1  0.659037  0.755933  0.487346  1
  Fe  Fe198  1  0.325704  0.755933  0.487346  1
  Fe  Fe199  1  0.709559  0.314155  0.468825  1
  Fe  Fe200  1  0.376225  0.314155  0.468825  1
  Fe  Fe201  1  0.321849  0.871747  0.450320  1
  Fe  Fe202  1  0.042892  0.314155  0.468825  1
  Fe  Fe203  1  0.988515  0.871747  0.450320  1
  Fe  Fe204  1  0.097216  0.755696  0.487315  1
  Fe  Fe205  1  0.655182  0.871747  0.450320  1
  Fe  Fe206  1  0.763883  0.755696  0.487315  1
  Fe  Fe207  1  0.430549  0.755696  0.487315  1
  Fe  Fe208  1  0.439834  0.107939  0.454809  1
  Fe  Fe209  1  0.106501  0.107939  0.454809  1
  Fe  Fe210  1  0.215072  0.991898  0.491857  1
  Fe  Fe211  1  0.773167  0.107939  0.454809  1
  Fe  Fe212  1  0.881739  0.991898  0.491857  1
  Fe  Fe213  1  0.827609  0.549890  0.473220  1
  Fe  Fe214  1  0.548406  0.991898  0.491857  1
  Fe  Fe215  1  0.494276  0.549890  0.473220  1
  Fe  Fe216  1  0.160943  0.549890  0.473220  1
  Fe  Fe217  1  0.595900  0.191557  0.507949  1
  Fe  Fe218  1  0.262567  0.191557  0.507949  1
  Fe  Fe219  1  0.371100  0.075332  0.544981  1
  Fe  Fe220  1  0.929233  0.191557  0.507949  1
  Fe  Fe221  1  0.037767  0.075332  0.544981  1
  Fe  Fe222  1  0.983534  0.633489  0.526430  1
  Fe  Fe223  1  0.704433  0.075332  0.544981  1
  Fe  Fe224  1  0.650201  0.633489  0.526430  1
  Fe  Fe225  1  0.316868  0.633489  0.526430  1
  Fe  Fe226  1  0.720389  0.440582  0.508285  1
  Fe  Fe227  1  0.387056  0.440582  0.508285  1
  Fe  Fe228  1  0.495768  0.324611  0.545281  1
  Fe  Fe229  1  0.053723  0.440582  0.508285  1
  Fe  Fe230  1  0.162435  0.324611  0.545281  1
  Fe  Fe231  1  0.107961  0.882328  0.526833  1
  Fe  Fe232  1  0.829101  0.324611  0.545281  1
  Fe  Fe233  1  0.774628  0.882328  0.526833  1
  Fe  Fe234  1  0.441295  0.882328  0.526833  1
  Fe  Fe235  1  0.831370  0.433987  0.510317  1
  Fe  Fe236  1  0.498036  0.433987  0.510317  1
  Fe  Fe237  1  0.606580  0.318014  0.547249  1
  Fe  Fe238  1  0.164703  0.433987  0.510317  1
  Fe  Fe239  1  0.273247  0.318014  0.547249  1
  Fe  Fe240  1  0.219007  0.875940  0.528835  1
  Fe  Fe241  1  0.939914  0.318014  0.547249  1
  Fe  Fe242  1  0.885674  0.875940  0.528835  1
  Fe  Fe243  1  0.552341  0.875940  0.528835  1
  Fe  Fe244  1  0.767761  0.640000  0.524309  1
  Fe  Fe245  1  0.434427  0.640000  0.524309  1
  Fe  Fe246  1  0.379857  0.197909  0.505871  1
  Fe  Fe247  1  0.101094  0.640000  0.524309  1
  Fe  Fe248  1  0.046524  0.197909  0.505871  1
  Fe  Fe249  1  0.155295  0.082007  0.542891  1
  Fe  Fe250  1  0.713190  0.197909  0.505871  1
  Fe  Fe251  1  0.821962  0.082007  0.542891  1
  Fe  Fe252  1  0.488628  0.082007  0.542891  1
  Fe  Fe253  1  0.872561  0.639954  0.524358  1
  Fe  Fe254  1  0.539227  0.639954  0.524358  1
  Fe  Fe255  1  0.484832  0.198082  0.505834  1
  Fe  Fe256  1  0.205894  0.639954  0.524358  1
  Fe  Fe257  1  0.151499  0.198082  0.505834  1
  Fe  Fe258  1  0.260208  0.082030  0.542870  1
  Fe  Fe259  1  0.818166  0.198082  0.505834  1
  Fe  Fe260  1  0.926874  0.082030  0.542870  1
  Fe  Fe261  1  0.593541  0.082030  0.542870  1
  Fe  Fe262  1  0.603001  0.434052  0.510315  1
  Fe  Fe263  1  0.269668  0.434052  0.510315  1
  Fe  Fe264  1  0.378369  0.318206  0.547364  1
  Fe  Fe265  1  0.936335  0.434052  0.510315  1
  Fe  Fe266  1  0.045036  0.318206  0.547364  1
  Fe  Fe267  1  0.990585  0.875987  0.528859  1
  Fe  Fe268  1  0.711703  0.318206  0.547364  1
  Fe  Fe269  1  0.657251  0.875987  0.528859  1
  Fe  Fe270  1  0.323918  0.875987  0.528859  1
  Fe  Fe271  1  0.758816  0.517412  0.563537  1
  Fe  Fe272  1  0.425483  0.517412  0.563537  1
  Fe  Fe273  1  0.534562  0.402087  0.600485  1
  Fe  Fe274  1  0.092149  0.517412  0.563537  1
  Fe  Fe275  1  0.201229  0.402087  0.600485  1
  Fe  Fe276  1  0.146460  0.959527  0.582078  1
  Fe  Fe277  1  0.867896  0.402087  0.600485  1
  Fe  Fe278  1  0.813126  0.959527  0.582078  1
  Fe  Fe279  1  0.479793  0.959527  0.582078  1
  Fe  Fe280  1  0.883389  0.766496  0.563811  1
  Fe  Fe281  1  0.550055  0.766496  0.563811  1
  Fe  Fe282  1  0.658979  0.650850  0.600714  1
  Fe  Fe283  1  0.216722  0.766496  0.563811  1
  Fe  Fe284  1  0.325646  0.650850  0.600714  1
  Fe  Fe285  1  0.271263  0.208724  0.582105  1
  Fe  Fe286  1  0.992313  0.650850  0.600714  1
  Fe  Fe287  1  0.937930  0.208724  0.582105  1
  Fe  Fe288  1  0.604596  0.208724  0.582105  1
  Fe  Fe289  1  0.994299  0.759958  0.565788  1
  Fe  Fe290  1  0.660965  0.759958  0.565788  1
  Fe  Fe291  1  0.770041  0.644514  0.603020  1
  Fe  Fe292  1  0.327632  0.759958  0.565788  1
  Fe  Fe293  1  0.436708  0.644514  0.603020  1
  Fe  Fe294  1  0.381955  0.202256  0.584299  1
  Fe  Fe295  1  0.103374  0.644514  0.603020  1
  Fe  Fe296  1  0.048621  0.202256  0.584299  1
  Fe  Fe297  1  0.715288  0.202256  0.584299  1
  Fe  Fe298  1  0.930972  0.966315  0.579941  1
  Fe  Fe299  1  0.597639  0.966315  0.579941  1
  Fe  Fe300  1  0.543375  0.524351  0.561430  1
  Fe  Fe301  1  0.264306  0.966315  0.579941  1
  Fe  Fe302  1  0.210041  0.524351  0.561430  1
  Fe  Fe303  1  0.318912  0.408649  0.598557  1
  Fe  Fe304  1  0.876708  0.524351  0.561430  1
  Fe  Fe305  1  0.985579  0.408649  0.598557  1
  Fe  Fe306  1  0.652246  0.408649  0.598557  1
  Fe  Fe307  1  0.035897  0.966232  0.580078  1
  Fe  Fe308  1  0.702564  0.966232  0.580078  1
  Fe  Fe309  1  0.648209  0.524275  0.561539  1
  Fe  Fe310  1  0.369230  0.966232  0.580078  1
  Fe  Fe311  1  0.314875  0.524275  0.561539  1
  Fe  Fe312  1  0.423899  0.408435  0.598651  1
  Fe  Fe313  1  0.981542  0.524275  0.561539  1
  Fe  Fe314  1  0.090566  0.408435  0.598651  1
  Fe  Fe315  1  0.757232  0.408435  0.598651  1
  Fe  Fe316  1  0.766087  0.760177  0.565857  1
  Fe  Fe317  1  0.432754  0.760177  0.565857  1
  Fe  Fe318  1  0.541160  0.644055  0.602896  1
  Fe  Fe319  1  0.099421  0.760177  0.565857  1
  Fe  Fe320  1  0.207827  0.644055  0.602896  1
  Fe  Fe321  1  0.153544  0.202021  0.584373  1
  Fe  Fe322  1  0.874493  0.644055  0.602896  1
  Fe  Fe323  1  0.820211  0.202021  0.584373  1
  Fe  Fe324  1  0.486878  0.202021  0.584373  1
  Fe  Fe325  1  0.921954  0.843705  0.619078  1
  Fe  Fe326  1  0.588621  0.843705  0.619078  1
  Fe  Fe327  1  0.696850  0.727423  0.656162  1
  Fe  Fe328  1  0.255288  0.843705  0.619078  1
  Fe  Fe329  1  0.363516  0.727423  0.656162  1
  Fe  Fe330  1  0.310457  0.286744  0.637278  1
  Fe  Fe331  1  0.030183  0.727423  0.656162  1
  Fe  Fe332  1  0.977124  0.286744  0.637278  1
  Fe  Fe333  1  0.643790  0.286744  0.637278  1
  Fe  Fe334  1  0.046601  0.092969  0.619291  1
  Fe  Fe335  1  0.713267  0.092969  0.619291  1
  Fe  Fe336  1  0.821101  0.975761  0.656631  1
  Fe  Fe337  1  0.379934  0.092969  0.619291  1
  Fe  Fe338  1  0.487767  0.975761  0.656631  1
  Fe  Fe339  1  0.434252  0.534828  0.638114  1
  Fe  Fe340  1  0.154434  0.975761  0.656631  1
  Fe  Fe341  1  0.100919  0.534828  0.638114  1
  Fe  Fe342  1  0.767586  0.534828  0.638114  1
  Fe  Fe343  1  0.157448  0.086579  0.621469  1
  Fe  Fe344  1  0.824115  0.086579  0.621469  1
  Fe  Fe345  1  0.932339  0.970140  0.658709  1
  Fe  Fe346  1  0.490782  0.086579  0.621469  1
  Fe  Fe347  1  0.599006  0.970140  0.658709  1
  Fe  Fe348  1  0.545892  0.529086  0.640419  1
  Fe  Fe349  1  0.265672  0.970140  0.658709  1
  Fe  Fe350  1  0.212559  0.529086  0.640419  1
  Fe  Fe351  1  0.879225  0.529086  0.640419  1
  Fe  Fe352  1  0.093065  0.291537  0.635306  1
  Fe  Fe353  1  0.759732  0.291537  0.635306  1
  Fe  Fe354  1  0.706191  0.850451  0.617008  1
  Fe  Fe355  1  0.426399  0.291537  0.635306  1
  Fe  Fe356  1  0.372857  0.850451  0.617008  1
  Fe  Fe357  1  0.481904  0.734472  0.653931  1
  Fe  Fe358  1  0.039524  0.850451  0.617008  1
  Fe  Fe359  1  0.148571  0.734472  0.653931  1
  Fe  Fe360  1  0.815237  0.734472  0.653931  1
  Fe  Fe361  1  0.197552  0.291312  0.634931  1
  Fe  Fe362  1  0.864219  0.291312  0.634931  1
  Fe  Fe363  1  0.811140  0.850168  0.617040  1
  Fe  Fe364  1  0.530885  0.291312  0.634931  1
  Fe  Fe365  1  0.477806  0.850168  0.617040  1
  Fe  Fe366  1  0.586504  0.733769  0.654088  1
  Fe  Fe367  1  0.144473  0.850168  0.617040  1
  Fe  Fe368  1  0.253171  0.733769  0.654088  1
  Fe  Fe369  1  0.919837  0.733769  0.654088  1
  Fe  Fe370  1  0.927886  0.084966  0.621401  1
  Fe  Fe371  1  0.594553  0.084966  0.621401  1
  Fe  Fe372  1  0.703063  0.969049  0.658615  1
  Fe  Fe373  1  0.261219  0.084966  0.621401  1
  Fe  Fe374  1  0.369730  0.969049  0.658615  1
  Fe  Fe375  1  0.316706  0.528272  0.640079  1
  Fe  Fe376  1  0.036397  0.969049  0.658615  1
  Fe  Fe377  1  0.983372  0.528272  0.640079  1
  Fe  Fe378  1  0.650039  0.528272  0.640079  1
  Fe  Fe379  1  0.083799  0.168923  0.674648  1
  Fe  Fe380  1  0.750466  0.168923  0.674648  1
  Fe  Fe381  1  0.858723  0.048406  0.711240  1
  Fe  Fe382  1  0.417133  0.168923  0.674648  1
  Fe  Fe383  1  0.525390  0.048406  0.711240  1
  Fe  Fe384  1  0.471664  0.606627  0.692879  1
  Fe  Fe385  1  0.192056  0.048406  0.711240  1
  Fe  Fe386  1  0.138331  0.606627  0.692879  1
  Fe  Fe387  1  0.804998  0.606627  0.692879  1
  Fe  Fe388  1  0.208988  0.417379  0.675166  1
  Fe  Fe389  1  0.875655  0.417379  0.675166  1
  Fe  Fe390  1  0.982917  0.301802  0.711638  1
  Fe  Fe391  1  0.542321  0.417379  0.675166  1
  Fe  Fe392  1  0.649583  0.301802  0.711638  1
  Fe  Fe393  1  0.595911  0.859059  0.693354  1
  Fe  Fe394  1  0.316250  0.301802  0.711638  1
  Fe  Fe395  1  0.262578  0.859059  0.693354  1
  Fe  Fe396  1  0.929244  0.859059  0.693354  1
  Fe  Fe397  1  0.319417  0.411118  0.675705  1
  Fe  Fe398  1  0.986084  0.411118  0.675705  1
  Fe  Fe399  1  0.093896  0.290243  0.712450  1
  Fe  Fe400  1  0.652750  0.411118  0.675705  1
  Fe  Fe401  1  0.760562  0.290243  0.712450  1
  Fe  Fe402  1  0.707090  0.852461  0.694588  1
  Fe  Fe403  1  0.427229  0.290243  0.712450  1
  Fe  Fe404  1  0.373757  0.852461  0.694588  1
  Fe  Fe405  1  0.040424  0.852461  0.694588  1
  Fe  Fe406  1  0.250918  0.612217  0.689788  1
  Fe  Fe407  1  0.917584  0.612217  0.689788  1
  Fe  Fe408  1  0.868498  0.174817  0.672060  1
  Fe  Fe409  1  0.584251  0.612217  0.689788  1
  Fe  Fe410  1  0.535165  0.174817  0.672060  1
  Fe  Fe411  1  0.639018  0.055974  0.708372  1
  Fe  Fe412  1  0.201832  0.174817  0.672060  1
  Fe  Fe413  1  0.305684  0.055974  0.708372  1
  Fe  Fe414  1  0.972351  0.055974  0.708372  1
  Fe  Fe415  1  0.360867  0.616982  0.691315  1
  Fe  Fe416  1  0.027533  0.616982  0.691315  1
  Fe  Fe417  1  0.973577  0.175731  0.672446  1
  Fe  Fe418  1  0.694200  0.616982  0.691315  1
  Fe  Fe419  1  0.640244  0.175731  0.672446  1
  Fe  Fe420  1  0.749089  0.060078  0.709789  1
  Fe  Fe421  1  0.306910  0.175731  0.672446  1
  Fe  Fe422  1  0.415756  0.060078  0.709789  1
  Fe  Fe423  1  0.082423  0.060078  0.709789  1
  Fe  Fe424  1  0.092787  0.412433  0.677205  1
  Fe  Fe425  1  0.759454  0.412433  0.677205  1
  Fe  Fe426  1  0.869200  0.295483  0.713482  1
  Fe  Fe427  1  0.426121  0.412433  0.677205  1
  Fe  Fe428  1  0.535867  0.295483  0.713482  1
  Fe  Fe429  1  0.481789  0.857120  0.695584  1
  Fe  Fe430  1  0.202533  0.295483  0.713482  1
  Fe  Fe431  1  0.148455  0.857120  0.695584  1
  Fe  Fe432  1  0.815122  0.857120  0.695584  1
  C  C433  1  0.031979  0.176572  0.313849  1
  C  C434  1  0.698646  0.176572  0.313849  1
  C  C435  1  0.646157  0.736489  0.294544  1
  C  C436  1  0.365312  0.176572  0.313849  1
  C  C437  1  0.312824  0.736489  0.294544  1
  C  C438  1  0.419142  0.616541  0.331891  1
  C  C439  1  0.979491  0.736489  0.294544  1
  C  C440  1  0.085809  0.616541  0.331891  1
  C  C441  1  0.752475  0.616541  0.331891  1
  C  C442  1  0.063195  0.016598  0.286164  1
  C  C443  1  0.729862  0.016598  0.286164  1
  C  C444  1  0.837728  0.897759  0.323440  1
  C  C445  1  0.396529  0.016598  0.286164  1
  C  C446  1  0.504394  0.897759  0.323440  1
  C  C447  1  0.447852  0.453793  0.304111  1
  C  C448  1  0.171061  0.897759  0.323440  1
  C  C449  1  0.114519  0.453793  0.304111  1
  C  C450  1  0.781185  0.453793  0.304111  1
  C  C451  1  0.194749  0.500764  0.369140  1
  C  C452  1  0.861416  0.500764  0.369140  1
  C  C453  1  0.806908  0.058511  0.350957  1
  C  C454  1  0.528082  0.500764  0.369140  1
  C  C455  1  0.473575  0.058511  0.350957  1
  C  C456  1  0.582818  0.942657  0.387925  1
  C  C457  1  0.140241  0.058511  0.350957  1
  C  C458  1  0.249485  0.942657  0.387925  1
  C  C459  1  0.916151  0.942657  0.387925  1
  C  C460  1  0.224896  0.339497  0.341395  1
  C  C461  1  0.891563  0.339497  0.341395  1
  C  C462  1  0.000025  0.221843  0.378493  1
  C  C463  1  0.558229  0.339497  0.341395  1
  C  C464  1  0.666692  0.221843  0.378493  1
  C  C465  1  0.612047  0.778911  0.359670  1
  C  C466  1  0.333358  0.221843  0.378493  1
  C  C467  1  0.278714  0.778911  0.359670  1
  C  C468  1  0.945380  0.778911  0.359670  1
  C  C469  1  0.357808  0.826429  0.424778  1
  C  C470  1  0.024474  0.826429  0.424778  1
  C  C471  1  0.970255  0.384768  0.406228  1
  C  C472  1  0.691141  0.826429  0.424778  1
  C  C473  1  0.636922  0.384768  0.406228  1
  C  C474  1  0.745709  0.269002  0.443325  1
  C  C475  1  0.303588  0.384768  0.406228  1
  C  C476  1  0.412375  0.269002  0.443325  1
  C  C477  1  0.079042  0.269002  0.443325  1
  C  C478  1  0.387397  0.663335  0.396783  1
  C  C479  1  0.054064  0.663335  0.396783  1
  C  C480  1  0.162935  0.547909  0.433948  1
  C  C481  1  0.720730  0.663335  0.396783  1
  C  C482  1  0.829602  0.547909  0.433948  1
  C  C483  1  0.775417  0.106042  0.415541  1
  C  C484  1  0.496269  0.547909  0.433948  1
  C  C485  1  0.442084  0.106042  0.415541  1
  C  C486  1  0.108750  0.106042  0.415541  1
  C  C487  1  0.521054  0.153015  0.480341  1
  C  C488  1  0.187721  0.153015  0.480341  1
  C  C489  1  0.133254  0.710665  0.461712  1
  C  C490  1  0.854387  0.153015  0.480341  1
  C  C491  1  0.799921  0.710665  0.461712  1
  C  C492  1  0.908710  0.594933  0.498809  1
  C  C493  1  0.466587  0.710665  0.461712  1
  C  C494  1  0.575377  0.594933  0.498809  1
  C  C495  1  0.242043  0.594933  0.498809  1
  C  C496  1  0.550619  0.989912  0.452590  1
  C  C497  1  0.217285  0.989912  0.452590  1
  C  C498  1  0.326012  0.873905  0.489590  1
  C  C499  1  0.883952  0.989912  0.452590  1
  C  C500  1  0.992678  0.873905  0.489590  1
  C  C501  1  0.938369  0.432047  0.471043  1
  C  C502  1  0.659345  0.873905  0.489590  1
  C  C503  1  0.605036  0.432047  0.471043  1
  C  C504  1  0.271703  0.432047  0.471043  1
  C  C505  1  0.684132  0.479173  0.535901  1
  C  C506  1  0.350799  0.479173  0.535901  1
  C  C507  1  0.296347  0.036915  0.517350  1
  C  C508  1  0.017466  0.479173  0.535901  1
  C  C509  1  0.963014  0.036915  0.517350  1
  C  C510  1  0.071755  0.921086  0.554421  1
  C  C511  1  0.629680  0.036915  0.517350  1
  C  C512  1  0.738421  0.921086  0.554421  1
  C  C513  1  0.405088  0.921086  0.554421  1
  C  C514  1  0.713702  0.316093  0.508093  1
  C  C515  1  0.380368  0.316093  0.508093  1
  C  C516  1  0.488897  0.199945  0.545104  1
  C  C517  1  0.047035  0.316093  0.508093  1
  C  C518  1  0.155564  0.199945  0.545104  1
  C  C519  1  0.101341  0.757903  0.526587  1
  C  C520  1  0.822230  0.199945  0.545104  1
  C  C521  1  0.768007  0.757903  0.526587  1
  C  C522  1  0.434674  0.757903  0.526587  1
  C  C523  1  0.847279  0.805336  0.591418  1
  C  C524  1  0.513946  0.805336  0.591418  1
  C  C525  1  0.459615  0.363360  0.572895  1
  C  C526  1  0.180612  0.805336  0.591418  1
  C  C527  1  0.126282  0.363360  0.572895  1
  C  C528  1  0.235103  0.247307  0.609763  1
  C  C529  1  0.792949  0.363360  0.572895  1
  C  C530  1  0.901769  0.247307  0.609763  1
  C  C531  1  0.568436  0.247307  0.609763  1
  C  C532  1  0.876618  0.641926  0.563628  1
  C  C533  1  0.543284  0.641926  0.563628  1
  C  C534  1  0.652367  0.526437  0.600810  1
  C  C535  1  0.209951  0.641926  0.563628  1
  C  C536  1  0.319034  0.526437  0.600810  1
  C  C537  1  0.264267  0.083941  0.582139  1
  C  C538  1  0.985701  0.526437  0.600810  1
  C  C539  1  0.930933  0.083941  0.582139  1
  C  C540  1  0.597600  0.083941  0.582139  1
  C  C541  1  0.009502  0.130593  0.646813  1
  C  C542  1  0.676169  0.130593  0.646813  1
  C  C543  1  0.622603  0.689251  0.628329  1
  C  C544  1  0.342835  0.130593  0.646813  1
  C  C545  1  0.289269  0.689251  0.628329  1
  C  C546  1  0.398046  0.573835  0.665629  1
  C  C547  1  0.955936  0.689251  0.628329  1
  C  C548  1  0.064713  0.573835  0.665629  1
  C  C549  1  0.731380  0.573835  0.665629  1
  C  C550  1  0.039751  0.968324  0.619355  1
  C  C551  1  0.706418  0.968324  0.619355  1
  C  C552  1  0.814679  0.851523  0.656316  1
  C  C553  1  0.373084  0.968324  0.619355  1
  C  C554  1  0.481345  0.851523  0.656316  1
  C  C555  1  0.428264  0.411008  0.637922  1
  C  C556  1  0.148012  0.851523  0.656316  1
  C  C557  1  0.094930  0.411008  0.637922  1
  C  C558  1  0.761597  0.411008  0.637922  1
  C  C559  1  0.172051  0.453769  0.703146  1
  C  C560  1  0.838718  0.453769  0.703146  1
  C  C561  1  0.784600  0.014610  0.684059  1
  C  C562  1  0.505385  0.453769  0.703146  1
  C  C563  1  0.451267  0.014610  0.684059  1
  C  C564  1  0.560625  0.897242  0.721536  1
  C  C565  1  0.117933  0.014610  0.684059  1
  C  C566  1  0.227292  0.897242  0.721536  1
  C  C567  1  0.893959  0.897242  0.721536  1
  C  C568  1  0.201644  0.292286  0.674188  1
  C  C569  1  0.868311  0.292286  0.674188  1
  C  C570  1  0.976271  0.177348  0.711740  1
  C  C571  1  0.534977  0.292286  0.674188  1
  C  C572  1  0.642938  0.177348  0.711740  1
  C  C573  1  0.589291  0.734632  0.693377  1
  C  C574  1  0.309604  0.177348  0.711740  1
  C  C575  1  0.255958  0.734632  0.693377  1
  C  C576  1  0.922625  0.734632  0.693377  1
