# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.17015688
_cell_length_b   14.50096785
_cell_length_c   47.21802707
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.64192389
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe378 C126'
_cell_volume   10815.2774948
_cell_formula_units_Z   126
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  0.813783  0.620954  0.273761  1
  Fe  Fe2  1  0.147116  0.287621  0.273761  1
  Fe  Fe3  1  0.085028  0.605448  0.294755  1
  Fe  Fe4  1  0.480450  0.954287  0.273761  1
  Fe  Fe5  1  0.418361  0.272115  0.294755  1
  Fe  Fe6  1  0.357335  0.588699  0.316701  1
  Fe  Fe7  1  0.751695  0.938782  0.294755  1
  Fe  Fe8  1  0.690669  0.255366  0.316701  1
  Fe  Fe9  1  0.024002  0.922033  0.316701  1
  Fe  Fe10  1  0.626350  0.438247  0.295455  1
  Fe  Fe11  1  0.959683  0.104914  0.295455  1
  Fe  Fe12  1  0.900604  0.420721  0.317848  1
  Fe  Fe13  1  0.293016  0.771580  0.295455  1
  Fe  Fe14  1  0.233938  0.087388  0.317848  1
  Fe  Fe15  1  0.355120  0.454105  0.274060  1
  Fe  Fe16  1  0.567271  0.754055  0.317848  1
  Fe  Fe17  1  0.688453  0.120771  0.274060  1
  Fe  Fe18  1  0.021786  0.787438  0.274060  1
  Fe  Fe19  1  0.778449  0.457481  0.284115  1
  Fe  Fe20  1  0.111782  0.124147  0.284115  1
  Fe  Fe21  1  0.057619  0.431749  0.305624  1
  Fe  Fe22  1  0.445116  0.790814  0.284115  1
  Fe  Fe23  1  0.390953  0.098415  0.305624  1
  Fe  Fe24  1  0.333252  0.412102  0.327341  1
  Fe  Fe25  1  0.724286  0.765082  0.305624  1
  Fe  Fe26  1  0.666585  0.078769  0.327341  1
  Fe  Fe27  1  -0.000081  0.745436  0.327341  1
  Fe  Fe28  1  0.511636  0.604531  0.300411  1
  Fe  Fe29  1  0.844970  0.271198  0.300411  1
  Fe  Fe30  1  0.784863  0.585241  0.323146  1
  Fe  Fe31  1  0.178303  0.937865  0.300411  1
  Fe  Fe32  1  0.118196  0.251908  0.323146  1
  Fe  Fe33  1  0.240393  0.619970  0.278569  1
  Fe  Fe34  1  0.451530  0.918575  0.323146  1
  Fe  Fe35  1  0.573727  0.286637  0.278569  1
  Fe  Fe36  1  0.907060  0.953304  0.278569  1
  Fe  Fe37  1  0.658981  0.608608  0.286151  1
  Fe  Fe38  1  0.992314  0.275274  0.286151  1
  Fe  Fe39  1  0.930480  0.590617  0.308481  1
  Fe  Fe40  1  0.325647  0.941941  0.286151  1
  Fe  Fe41  1  0.263813  0.257283  0.308481  1
  Fe  Fe42  1  0.198340  0.578633  0.330119  1
  Fe  Fe43  1  0.597147  0.923950  0.308481  1
  Fe  Fe44  1  0.531673  0.245299  0.330119  1
  Fe  Fe45  1  0.865007  0.911966  0.330119  1
  Fe  Fe46  1  0.474968  0.424237  0.312879  1
  Fe  Fe47  1  0.808301  0.090904  0.312879  1
  Fe  Fe48  1  0.930572  0.455796  0.269099  1
  Fe  Fe49  1  0.141634  0.757570  0.312879  1
  Fe  Fe50  1  0.263906  0.122463  0.269099  1
  Fe  Fe51  1  0.202817  0.439309  0.290630  1
  Fe  Fe52  1  0.597239  0.789130  0.269099  1
  Fe  Fe53  1  0.536150  0.105976  0.290630  1
  Fe  Fe54  1  0.869483  0.772642  0.290630  1
  Fe  Fe55  1  0.631624  0.569284  0.339850  1
  Fe  Fe56  1  0.964957  0.235951  0.339850  1
  Fe  Fe57  1  0.904045  0.552815  0.362017  1
  Fe  Fe58  1  0.298291  0.902618  0.339850  1
  Fe  Fe59  1  0.237378  0.219481  0.362017  1
  Fe  Fe60  1  0.176431  0.535960  0.384195  1
  Fe  Fe61  1  0.570712  0.886148  0.362017  1
  Fe  Fe62  1  0.509765  0.202626  0.384195  1
  Fe  Fe63  1  0.843098  0.869293  0.384195  1
  Fe  Fe64  1  0.445855  0.386488  0.362282  1
  Fe  Fe65  1  0.779188  0.053155  0.362282  1
  Fe  Fe66  1  0.718437  0.367809  0.384559  1
  Fe  Fe67  1  0.112521  0.719822  0.362282  1
  Fe  Fe68  1  0.051771  0.034476  0.384559  1
  Fe  Fe69  1  0.173256  0.401919  0.340336  1
  Fe  Fe70  1  0.385104  0.701142  0.384559  1
  Fe  Fe71  1  0.506590  0.068586  0.340336  1
  Fe  Fe72  1  0.839923  0.735252  0.340336  1
  Fe  Fe73  1  0.603525  0.396869  0.349527  1
  Fe  Fe74  1  0.936858  0.063535  0.349527  1
  Fe  Fe75  1  0.877889  0.377638  0.372125  1
  Fe  Fe76  1  0.270192  0.730202  0.349527  1
  Fe  Fe77  1  0.211222  0.044305  0.372125  1
  Fe  Fe78  1  0.149724  0.360917  0.394077  1
  Fe  Fe79  1  0.544555  0.710972  0.372125  1
  Fe  Fe80  1  0.483057  0.027583  0.394077  1
  Fe  Fe81  1  0.816391  0.694250  0.394077  1
  Fe  Fe82  1  0.329549  0.549480  0.366422  1
  Fe  Fe83  1  0.662882  0.216146  0.366422  1
  Fe  Fe84  1  0.602521  0.531607  0.388629  1
  Fe  Fe85  1  0.996216  0.882813  0.366422  1
  Fe  Fe86  1  0.935855  0.198274  0.388629  1
  Fe  Fe87  1  0.057313  0.565434  0.343912  1
  Fe  Fe88  1  0.269188  0.864941  0.388629  1
  Fe  Fe89  1  0.390646  0.232101  0.343912  1
  Fe  Fe90  1  0.723980  0.898768  0.343912  1
  Fe  Fe91  1  0.471671  0.561443  0.352293  1
  Fe  Fe92  1  0.805004  0.228110  0.352293  1
  Fe  Fe93  1  0.745655  0.542574  0.374790  1
  Fe  Fe94  1  0.138337  0.894776  0.352293  1
  Fe  Fe95  1  0.078988  0.209241  0.374790  1
  Fe  Fe96  1  0.018033  0.525474  0.396992  1
  Fe  Fe97  1  0.412321  0.875908  0.374790  1
  Fe  Fe98  1  0.351367  0.192141  0.396992  1
  Fe  Fe99  1  0.684700  0.858807  0.396992  1
  Fe  Fe100  1  0.292665  0.371896  0.380077  1
  Fe  Fe101  1  0.625999  0.038563  0.380077  1
  Fe  Fe102  1  0.746769  0.407371  0.335771  1
  Fe  Fe103  1  0.959332  0.705229  0.380077  1
  Fe  Fe104  1  0.080102  0.074038  0.335771  1
  Fe  Fe105  1  0.020350  0.389031  0.357993  1
  Fe  Fe106  1  0.413435  0.740705  0.335771  1
  Fe  Fe107  1  0.353683  0.055698  0.357993  1
  Fe  Fe108  1  0.687016  0.722364  0.357993  1
  Fe  Fe109  1  0.449232  0.517683  0.406588  1
  Fe  Fe110  1  0.782565  0.184350  0.406588  1
  Fe  Fe111  1  0.721642  0.500553  0.428644  1
  Fe  Fe112  1  0.115899  0.851016  0.406588  1
  Fe  Fe113  1  0.054975  0.167220  0.428644  1
  Fe  Fe114  1  0.994155  0.483613  0.450895  1
  Fe  Fe115  1  0.388309  0.833886  0.428644  1
  Fe  Fe116  1  0.327488  0.150280  0.450895  1
  Fe  Fe117  1  0.660822  0.816946  0.450895  1
  Fe  Fe118  1  0.263659  0.334036  0.429026  1
  Fe  Fe119  1  0.596992  1.000702  0.429026  1
  Fe  Fe120  1  0.536158  0.316628  0.451207  1
  Fe  Fe121  1  0.930325  0.667369  0.429026  1
  Fe  Fe122  1  0.869492  0.983295  0.451207  1
  Fe  Fe123  1  0.991120  0.351023  0.406912  1
  Fe  Fe124  1  0.202825  0.649962  0.451207  1
  Fe  Fe125  1  0.324453  0.017690  0.406912  1
  Fe  Fe126  1  0.657787  0.684357  0.406912  1
  Fe  Fe127  1  0.422070  0.343910  0.416212  1
  Fe  Fe128  1  0.755404  0.010576  0.416212  1
  Fe  Fe129  1  0.694973  0.326350  0.438524  1
  Fe  Fe130  1  0.088737  0.677243  0.416212  1
  Fe  Fe131  1  0.028306  0.993017  0.438524  1
  Fe  Fe132  1  0.967508  0.308937  0.460794  1
  Fe  Fe133  1  0.361640  0.659684  0.438524  1
  Fe  Fe134  1  0.300841  0.975604  0.460794  1
  Fe  Fe135  1  0.634175  0.642270  0.460794  1
  Fe  Fe136  1  0.147520  0.497417  0.433147  1
  Fe  Fe137  1  0.480853  0.164084  0.433147  1
  Fe  Fe138  1  0.420012  0.479993  0.455345  1
  Fe  Fe139  1  0.814187  0.830751  0.433147  1
  Fe  Fe140  1  0.753345  0.146660  0.455345  1
  Fe  Fe141  1  0.875110  0.514625  0.411047  1
  Fe  Fe142  1  0.086679  0.813326  0.455345  1
  Fe  Fe143  1  0.208443  0.181292  0.411047  1
  Fe  Fe144  1  0.541776  0.847959  0.411047  1
  Fe  Fe145  1  0.290439  0.508616  0.419086  1
  Fe  Fe146  1  0.623772  0.175282  0.419086  1
  Fe  Fe147  1  0.563442  0.490641  0.441382  1
  Fe  Fe148  1  0.957105  0.841949  0.419086  1
  Fe  Fe149  1  0.896775  0.157307  0.441382  1
  Fe  Fe150  1  0.835690  0.473572  0.463651  1
  Fe  Fe151  1  0.230109  0.823974  0.441382  1
  Fe  Fe152  1  0.169023  0.140239  0.463651  1
  Fe  Fe153  1  0.502357  0.806906  0.463651  1
  Fe  Fe154  1  0.110325  0.319975  0.446789  1
  Fe  Fe155  1  0.443659  0.986641  0.446789  1
  Fe  Fe156  1  0.565206  0.354499  0.402142  1
  Fe  Fe157  1  0.776992  0.653308  0.446789  1
  Fe  Fe158  1  0.898540  0.021165  0.402142  1
  Fe  Fe159  1  0.838048  0.337072  0.424418  1
  Fe  Fe160  1  0.231873  0.687832  0.402142  1
  Fe  Fe161  1  0.171381  0.003739  0.424418  1
  Fe  Fe162  1  0.504714  0.670406  0.424418  1
  Fe  Fe163  1  0.266758  0.466219  0.473140  1
  Fe  Fe164  1  0.600091  0.132885  0.473140  1
  Fe  Fe165  1  0.539350  0.448666  0.495357  1
  Fe  Fe166  1  0.933425  0.799552  0.473140  1
  Fe  Fe167  1  0.872683  0.115333  0.495357  1
  Fe  Fe168  1  0.811815  0.431539  0.517583  1
  Fe  Fe169  1  0.206016  0.781999  0.495357  1
  Fe  Fe170  1  0.145148  0.098206  0.517583  1
  Fe  Fe171  1  0.478482  0.764873  0.517583  1
  Fe  Fe172  1  0.081322  0.281935  0.495713  1
  Fe  Fe173  1  0.414656  0.948601  0.495713  1
  Fe  Fe174  1  0.353945  0.264550  0.517953  1
  Fe  Fe175  1  0.747989  0.615268  0.495713  1
  Fe  Fe176  1  0.687278  0.931217  0.517953  1
  Fe  Fe177  1  0.808765  0.299059  0.473494  1
  Fe  Fe178  1  0.020612  0.597884  0.517953  1
  Fe  Fe179  1  0.142099  0.965726  0.473494  1
  Fe  Fe180  1  0.475432  0.632393  0.473494  1
  Fe  Fe181  1  0.239800  0.291904  0.482981  1
  Fe  Fe182  1  0.573133  0.958571  0.482981  1
  Fe  Fe183  1  0.512317  0.274379  0.505142  1
  Fe  Fe184  1  0.906466  0.625237  0.482981  1
  Fe  Fe185  1  0.845651  0.941046  0.505142  1
  Fe  Fe186  1  0.785057  0.257210  0.527436  1
  Fe  Fe187  1  0.178984  0.607713  0.505142  1
  Fe  Fe188  1  0.118390  0.923876  0.527436  1
  Fe  Fe189  1  0.451723  0.590543  0.527436  1
  Fe  Fe190  1  0.965214  0.445375  0.499836  1
  Fe  Fe191  1  0.298547  0.112041  0.499836  1
  Fe  Fe192  1  0.237837  0.427972  0.522014  1
  Fe  Fe193  1  0.631881  0.778708  0.499836  1
  Fe  Fe194  1  0.571171  0.094639  0.522014  1
  Fe  Fe195  1  0.692692  0.462539  0.477552  1
  Fe  Fe196  1  0.904504  0.761306  0.522014  1
  Fe  Fe197  1  0.026026  0.129206  0.477552  1
  Fe  Fe198  1  0.359359  0.795873  0.477552  1
  Fe  Fe199  1  0.108285  0.456262  0.485829  1
  Fe  Fe200  1  0.441618  0.122929  0.485829  1
  Fe  Fe201  1  0.380937  0.438954  0.508039  1
  Fe  Fe202  1  0.774951  0.789596  0.485829  1
  Fe  Fe203  1  0.714270  0.105621  0.508039  1
  Fe  Fe204  1  0.653613  0.421683  0.530306  1
  Fe  Fe205  1  0.047603  0.772288  0.508039  1
  Fe  Fe206  1  0.986946  0.088350  0.530306  1
  Fe  Fe207  1  0.320280  0.755017  0.530306  1
  Fe  Fe208  1  0.928025  0.267948  0.513408  1
  Fe  Fe209  1  0.261358  0.934615  0.513408  1
  Fe  Fe210  1  0.382756  0.302609  0.469023  1
  Fe  Fe211  1  0.594692  0.601282  0.513408  1
  Fe  Fe212  1  0.716090  0.969276  0.469023  1
  Fe  Fe213  1  0.655426  0.285314  0.491170  1
  Fe  Fe214  1  0.049423  0.635942  0.469023  1
  Fe  Fe215  1  0.988759  0.951981  0.491170  1
  Fe  Fe216  1  0.322093  0.618647  0.491170  1
  Fe  Fe217  1  0.084449  0.414092  0.539841  1
  Fe  Fe218  1  0.417783  0.080758  0.539841  1
  Fe  Fe219  1  0.357003  0.396899  0.562031  1
  Fe  Fe220  1  0.751116  0.747425  0.539841  1
  Fe  Fe221  1  0.690336  0.063566  0.562031  1
  Fe  Fe222  1  0.629525  0.379407  0.584167  1
  Fe  Fe223  1  0.023669  0.730232  0.562031  1
  Fe  Fe224  1  0.962858  0.046074  0.584167  1
  Fe  Fe225  1  0.296192  0.712741  0.584167  1
  Fe  Fe226  1  0.898944  0.230090  0.562417  1
  Fe  Fe227  1  0.232277  0.896756  0.562417  1
  Fe  Fe228  1  0.171610  0.212559  0.584614  1
  Fe  Fe229  1  0.565610  0.563423  0.562417  1
  Fe  Fe230  1  0.504944  0.879226  0.584614  1
  Fe  Fe231  1  0.626453  0.247157  0.540084  1
  Fe  Fe232  1  0.838277  0.545893  0.584614  1
  Fe  Fe233  1  0.959786  0.913824  0.540084  1
  Fe  Fe234  1  0.293119  0.580491  0.540084  1
  Fe  Fe235  1  0.057585  0.239863  0.549655  1
  Fe  Fe236  1  0.390918  0.906530  0.549655  1
  Fe  Fe237  1  0.329970  0.222333  0.571822  1
  Fe  Fe238  1  0.724251  0.573197  0.549655  1
  Fe  Fe239  1  0.663304  0.888999  0.571822  1
  Fe  Fe240  1  0.602355  0.204900  0.593953  1
  Fe  Fe241  1  0.996637  0.555666  0.571822  1
  Fe  Fe242  1  0.935688  0.871566  0.593953  1
  Fe  Fe243  1  0.269021  0.538233  0.593953  1
  Fe  Fe244  1  0.782816  0.393472  0.566452  1
  Fe  Fe245  1  0.116149  0.060139  0.566452  1
  Fe  Fe246  1  0.055440  0.375871  0.588734  1
  Fe  Fe247  1  0.449482  0.726806  0.566452  1
  Fe  Fe248  1  0.388773  0.042537  0.588734  1
  Fe  Fe249  1  0.510413  0.410752  0.544195  1
  Fe  Fe250  1  0.722106  0.709204  0.588734  1
  Fe  Fe251  1  0.843747  0.077419  0.544195  1
  Fe  Fe252  1  0.177080  0.744086  0.544195  1
  Fe  Fe253  1  0.925951  0.404275  0.552499  1
  Fe  Fe254  1  0.259284  0.070942  0.552499  1
  Fe  Fe255  1  0.198615  0.386787  0.574772  1
  Fe  Fe256  1  0.592617  0.737608  0.552499  1
  Fe  Fe257  1  0.531949  0.053454  0.574772  1
  Fe  Fe258  1  0.471474  0.369783  0.596950  1
  Fe  Fe259  1  0.865282  0.720121  0.574772  1
  Fe  Fe260  1  0.804807  0.036450  0.596950  1
  Fe  Fe261  1  0.138141  0.703117  0.596950  1
  Fe  Fe262  1  0.745652  0.216347  0.580039  1
  Fe  Fe263  1  0.078986  0.883014  0.580039  1
  Fe  Fe264  1  0.200549  0.250672  0.535680  1
  Fe  Fe265  1  0.412319  0.549681  0.580039  1
  Fe  Fe266  1  0.533882  0.917338  0.535680  1
  Fe  Fe267  1  0.473053  0.233087  0.557908  1
  Fe  Fe268  1  0.867215  0.584005  0.535680  1
  Fe  Fe269  1  0.806386  0.899754  0.557908  1
  Fe  Fe270  1  0.139720  0.566421  0.557908  1
  Fe  Fe271  1  0.901759  0.362566  0.606672  1
  Fe  Fe272  1  0.235092  0.029233  0.606672  1
  Fe  Fe273  1  0.174991  0.344145  0.628624  1
  Fe  Fe274  1  0.568425  0.695900  0.606672  1
  Fe  Fe275  1  0.508324  0.010812  0.628624  1
  Fe  Fe276  1  0.446957  0.328121  0.650754  1
  Fe  Fe277  1  0.841657  0.677478  0.628624  1
  Fe  Fe278  1  0.780291  0.994787  0.650754  1
  Fe  Fe279  1  0.113624  0.661454  0.650754  1
  Fe  Fe280  1  0.716646  0.178160  0.628908  1
  Fe  Fe281  1  0.049980  0.844827  0.628908  1
  Fe  Fe282  1  0.988903  0.161335  0.651740  1
  Fe  Fe283  1  0.383313  0.511493  0.628908  1
  Fe  Fe284  1  0.322236  0.828002  0.651740  1
  Fe  Fe285  1  0.444308  0.194870  0.606699  1
  Fe  Fe286  1  0.655570  0.494669  0.651740  1
  Fe  Fe287  1  0.777641  0.861536  0.606699  1
  Fe  Fe288  1  0.110974  0.528203  0.606699  1
  Fe  Fe289  1  0.875468  0.188598  0.616452  1
  Fe  Fe290  1  0.208801  0.855264  0.616452  1
  Fe  Fe291  1  0.147083  0.169534  0.638367  1
  Fe  Fe292  1  0.542135  0.521931  0.616452  1
  Fe  Fe293  1  0.480417  0.836201  0.638367  1
  Fe  Fe294  1  0.420255  0.153224  0.660811  1
  Fe  Fe295  1  0.813750  0.502867  0.638367  1
  Fe  Fe296  1  0.753588  0.819891  0.660811  1
  Fe  Fe297  1  0.086921  0.486557  0.660811  1
  Fe  Fe298  1  0.600681  0.341928  0.632842  1
  Fe  Fe299  1  0.934015  0.008595  0.632842  1
  Fe  Fe300  1  0.872695  0.324512  0.655423  1
  Fe  Fe301  1  0.267348  0.675262  0.632842  1
  Fe  Fe302  1  0.206028  0.991179  0.655423  1
  Fe  Fe303  1  0.328315  0.358648  0.610890  1
  Fe  Fe304  1  0.539361  0.657846  0.655423  1
  Fe  Fe305  1  0.661649  0.025315  0.610890  1
  Fe  Fe306  1  0.994982  0.691982  0.610890  1
  Fe  Fe307  1  0.744029  0.352917  0.619270  1
  Fe  Fe308  1  0.077362  0.019584  0.619270  1
  Fe  Fe309  1  0.015805  0.334317  0.641362  1
  Fe  Fe310  1  0.410696  0.686251  0.619270  1
  Fe  Fe311  1  0.349138  0.000984  0.641362  1
  Fe  Fe312  1  0.289988  0.317752  0.663713  1
  Fe  Fe313  1  0.682471  0.667650  0.641362  1
  Fe  Fe314  1  0.623322  0.984419  0.663713  1
  Fe  Fe315  1  0.956655  0.651085  0.663713  1
  Fe  Fe316  1  0.563582  0.163477  0.646860  1
  Fe  Fe317  1  0.896915  0.830143  0.646860  1
  Fe  Fe318  1  0.018069  0.198230  0.602457  1
  Fe  Fe319  1  0.230248  0.496810  0.646860  1
  Fe  Fe320  1  0.351403  0.864896  0.602457  1
  Fe  Fe321  1  0.290733  0.181404  0.624533  1
  Fe  Fe322  1  0.684736  0.531563  0.602457  1
  Fe  Fe323  1  0.624066  0.848071  0.624533  1
  Fe  Fe324  1  0.957400  0.514738  0.624533  1
  Fe  Fe325  1  0.718476  0.310745  0.673662  1
  Fe  Fe326  1  0.051809  0.977411  0.673662  1
  Fe  Fe327  1  0.993786  0.291288  0.695162  1
  Fe  Fe328  1  0.385142  0.644078  0.673662  1
  Fe  Fe329  1  0.327119  0.957954  0.695162  1
  Fe  Fe330  1  0.268835  0.270983  0.716926  1
  Fe  Fe331  1  0.660453  0.624621  0.695162  1
  Fe  Fe332  1  0.602168  0.937650  0.716926  1
  Fe  Fe333  1  0.935502  0.604316  0.716926  1
  Fe  Fe334  1  0.534915  0.124503  0.695418  1
  Fe  Fe335  1  0.868248  0.791170  0.695418  1
  Fe  Fe336  1  0.805628  0.110718  0.718210  1
  Fe  Fe337  1  0.201582  0.457836  0.695418  1
  Fe  Fe338  1  0.138962  0.777384  0.718210  1
  Fe  Fe339  1  0.262062  0.142137  0.672999  1
  Fe  Fe340  1  0.472295  0.444051  0.718210  1
  Fe  Fe341  1  0.595396  0.808804  0.672999  1
  Fe  Fe342  1  0.928729  0.475471  0.672999  1
  Fe  Fe343  1  0.692079  0.134494  0.682091  1
  Fe  Fe344  1  0.025412  0.801161  0.682091  1
  Fe  Fe345  1  0.962265  0.115346  0.704280  1
  Fe  Fe346  1  0.358746  0.467827  0.682091  1
  Fe  Fe347  1  0.295598  0.782012  0.704280  1
  Fe  Fe348  1  0.233587  0.094040  0.725268  1
  Fe  Fe349  1  0.628932  0.448679  0.704280  1
  Fe  Fe350  1  0.566920  0.760707  0.725268  1
  Fe  Fe351  1  0.900254  0.427374  0.725268  1
  Fe  Fe352  1  0.417681  0.286034  0.699619  1
  Fe  Fe353  1  0.751014  0.952701  0.699619  1
  Fe  Fe354  1  0.684793  0.265222  0.721976  1
  Fe  Fe355  1  0.084348  0.619367  0.699619  1
  Fe  Fe356  1  0.018126  0.931889  0.721976  1
  Fe  Fe357  1  0.146478  0.306875  0.677456  1
  Fe  Fe358  1  0.351460  0.598556  0.721976  1
  Fe  Fe359  1  0.479811  0.973542  0.677456  1
  Fe  Fe360  1  0.813145  0.640209  0.677456  1
  Fe  Fe361  1  0.561015  0.300420  0.685648  1
  Fe  Fe362  1  0.894348  0.967087  0.685648  1
  Fe  Fe363  1  0.835171  0.286391  0.708640  1
  Fe  Fe364  1  0.227682  0.633754  0.685648  1
  Fe  Fe365  1  0.168504  0.953058  0.708640  1
  Fe  Fe366  1  0.111647  0.271122  0.730122  1
  Fe  Fe367  1  0.501838  0.619724  0.708640  1
  Fe  Fe368  1  0.444980  0.937788  0.730122  1
  Fe  Fe369  1  0.778313  0.604455  0.730122  1
  Fe  Fe370  1  0.381316  0.114017  0.712930  1
  Fe  Fe371  1  0.714649  0.780684  0.712930  1
  Fe  Fe372  1  0.835494  0.146889  0.669052  1
  Fe  Fe373  1  0.047982  0.447350  0.712930  1
  Fe  Fe374  1  0.168827  0.813555  0.669052  1
  Fe  Fe375  1  0.106568  0.131086  0.691350  1
  Fe  Fe376  1  0.502161  0.480222  0.669052  1
  Fe  Fe377  1  0.439902  0.797753  0.691350  1
  Fe  Fe378  1  0.773235  0.464419  0.691350  1
  C  C379  1  0.552975  0.499265  0.325033  1
  C  C380  1  0.886308  0.165932  0.325033  1
  C  C381  1  0.009198  0.531710  0.280008  1
  C  C382  1  0.219642  0.832599  0.325033  1
  C  C383  1  0.342531  0.198377  0.280008  1
  C  C384  1  0.280077  0.514560  0.303289  1
  C  C385  1  0.675865  0.865044  0.280008  1
  C  C386  1  0.613410  0.181226  0.303289  1
  C  C387  1  0.946744  0.847893  0.303289  1
  C  C388  1  0.674792  0.667627  0.321592  1
  C  C389  1  0.008126  0.334294  0.321592  1
  C  C390  1  0.130337  0.702266  0.276485  1
  C  C391  1  0.341459  0.000960  0.321592  1
  C  C392  1  0.463670  0.368933  0.276485  1
  C  C393  1  0.401740  0.687389  0.299118  1
  C  C394  1  0.797004  0.035599  0.276485  1
  C  C395  1  0.735073  0.354056  0.299118  1
  C  C396  1  0.068407  0.020722  0.299118  1
  C  C397  1  0.371546  0.446450  0.391765  1
  C  C398  1  0.704879  0.113117  0.391765  1
  C  C399  1  0.827074  0.479904  0.347639  1
  C  C400  1  0.038212  0.779783  0.391765  1
  C  C401  1  0.160407  0.146571  0.347639  1
  C  C402  1  0.099251  0.463579  0.369666  1
  C  C403  1  0.493740  0.813238  0.347639  1
  C  C404  1  0.432585  0.130246  0.369666  1
  C  C405  1  0.765918  0.796912  0.369666  1
  C  C406  1  0.492918  0.615164  0.388057  1
  C  C407  1  0.826251  0.281830  0.388057  1
  C  C408  1  0.948290  0.650187  0.343636  1
  C  C409  1  0.159584  0.948497  0.388057  1
  C  C410  1  0.281623  0.316854  0.343636  1
  C  C411  1  0.220143  0.633414  0.365653  1
  C  C412  1  0.614957  0.983521  0.343636  1
  C  C413  1  0.553476  0.300081  0.365653  1
  C  C414  1  0.886810  0.966747  0.365653  1
  C  C415  1  0.189383  0.394313  0.458474  1
  C  C416  1  0.522716  0.060980  0.458474  1
  C  C417  1  0.644327  0.428560  0.413983  1
  C  C418  1  0.856050  0.727647  0.458474  1
  C  C419  1  0.977660  0.095226  0.413983  1
  C  C420  1  0.916852  0.411410  0.436348  1
  C  C421  1  0.310994  0.761893  0.413983  1
  C  C422  1  0.250185  0.078077  0.436348  1
  C  C423  1  0.583518  0.744744  0.436348  1
  C  C424  1  0.310556  0.563843  0.454728  1
  C  C425  1  0.643889  0.230510  0.454728  1
  C  C426  1  0.765584  0.598319  0.410366  1
  C  C427  1  0.977223  0.897176  0.454728  1
  C  C428  1  0.098917  0.264985  0.410366  1
  C  C429  1  0.038070  0.581276  0.432549  1
  C  C430  1  0.432250  0.931652  0.410366  1
  C  C431  1  0.371403  0.247942  0.432549  1
  C  C432  1  0.704737  0.914609  0.432549  1
  C  C433  1  0.007051  0.342245  0.525158  1
  C  C434  1  0.340384  0.008912  0.525158  1
  C  C435  1  0.461913  0.376880  0.480666  1
  C  C436  1  0.673717  0.675579  0.525158  1
  C  C437  1  0.795246  0.043547  0.480666  1
  C  C438  1  0.734510  0.359537  0.502921  1
  C  C439  1  0.128580  0.710213  0.480666  1
  C  C440  1  0.067844  0.026203  0.502921  1
  C  C441  1  0.401177  0.692870  0.502921  1
  C  C442  1  0.128317  0.511695  0.521445  1
  C  C443  1  0.461651  0.178362  0.521445  1
  C  C444  1  0.583201  0.546325  0.476985  1
  C  C445  1  0.794984  0.845029  0.521445  1
  C  C446  1  0.916534  0.212991  0.476985  1
  C  C447  1  0.855741  0.529189  0.499235  1
  C  C448  1  0.249868  0.879658  0.476985  1
  C  C449  1  0.189075  0.195856  0.499235  1
  C  C450  1  0.522408  0.862522  0.499235  1
  C  C451  1  0.824688  0.290558  0.591844  1
  C  C452  1  0.158022  0.957224  0.591844  1
  C  C453  1  0.279640  0.324955  0.547378  1
  C  C454  1  0.491355  0.623891  0.591844  1
  C  C455  1  0.612973  0.991621  0.547378  1
  C  C456  1  0.552114  0.307543  0.569502  1
  C  C457  1  0.946307  0.658288  0.547378  1
  C  C458  1  0.885448  0.974210  0.569502  1
  C  C459  1  0.218781  0.640876  0.569502  1
  C  C460  1  0.945954  0.459662  0.588125  1
  C  C461  1  0.279287  0.126329  0.588125  1
  C  C462  1  0.400904  0.494497  0.543645  1
  C  C463  1  0.612621  0.792995  0.588125  1
  C  C464  1  0.734237  0.161164  0.543645  1
  C  C465  1  0.673351  0.477311  0.565922  1
  C  C466  1  0.067571  0.827831  0.543645  1
  C  C467  1  0.006684  0.143978  0.565922  1
  C  C468  1  0.340017  0.810644  0.565922  1
  C  C469  1  0.642112  0.238887  0.658228  1
  C  C470  1  0.975446  0.905553  0.658228  1
  C  C471  1  0.097158  0.272666  0.614042  1
  C  C472  1  0.308779  0.572220  0.658228  1
  C  C473  1  0.430491  0.939332  0.614042  1
  C  C474  1  0.370175  0.255353  0.636153  1
  C  C475  1  0.763824  0.605999  0.614042  1
  C  C476  1  0.703508  0.922019  0.636153  1
  C  C477  1  0.036842  0.588686  0.636153  1
  C  C478  1  0.762904  0.407694  0.655106  1
  C  C479  1  0.096238  0.074361  0.655106  1
  C  C480  1  0.218689  0.442168  0.610394  1
  C  C481  1  0.429571  0.741028  0.655106  1
  C  C482  1  0.552023  0.108835  0.610394  1
  C  C483  1  0.491210  0.425742  0.632514  1
  C  C484  1  0.885356  0.775502  0.610394  1
  C  C485  1  0.824544  0.092409  0.632514  1
  C  C486  1  0.157877  0.759076  0.632514  1
  C  C487  1  0.462426  0.184867  0.725302  1
  C  C488  1  0.795760  0.851534  0.725302  1
  C  C489  1  0.913832  0.221833  0.680966  1
  C  C490  1  0.129093  0.518200  0.725302  1
  C  C491  1  0.247165  0.888499  0.680966  1
  C  C492  1  0.188212  0.202884  0.702482  1
  C  C493  1  0.580499  0.555166  0.680966  1
  C  C494  1  0.521545  0.869551  0.702482  1
  C  C495  1  0.854879  0.536218  0.702482  1
  C  C496  1  0.578221  0.354591  0.721735  1
  C  C497  1  0.911554  0.021258  0.721735  1
  C  C498  1  0.036606  0.389878  0.676877  1
  C  C499  1  0.244888  0.687925  0.721735  1
  C  C500  1  0.369940  0.056545  0.676877  1
  C  C501  1  0.309534  0.372496  0.699494  1
  C  C502  1  0.703273  0.723212  0.676877  1
  C  C503  1  0.642867  0.039163  0.699494  1
  C  C504  1  0.976200  0.705829  0.699494  1
