# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.86014149
_cell_length_b   22.28293137
_cell_length_c   48.86789670
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.12810329
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe504 C168'
_cell_volume   14517.1888948
_cell_formula_units_Z   168
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  0.753973  0.762382  0.278477  1
  Fe  Fe2  1  0.253973  0.762382  0.278477  1
  Fe  Fe3  1  0.624936  0.059183  0.322606  1
  Fe  Fe4  1  0.690201  0.410697  0.300434  1
  Fe  Fe5  1  0.124936  0.059183  0.322606  1
  Fe  Fe6  1  0.190201  0.410697  0.300434  1
  Fe  Fe7  1  0.978561  0.635068  0.287010  1
  Fe  Fe8  1  0.478561  0.635068  0.287010  1
  Fe  Fe9  1  0.848558  0.934841  0.331425  1
  Fe  Fe10  1  0.913821  0.285382  0.308838  1
  Fe  Fe11  1  0.348558  0.934841  0.331425  1
  Fe  Fe12  1  0.413821  0.285382  0.308838  1
  Fe  Fe13  1  0.756831  0.570505  0.304551  1
  Fe  Fe14  1  0.256831  0.570505  0.304551  1
  Fe  Fe15  1  0.824478  0.922549  0.282589  1
  Fe  Fe16  1  0.692102  0.220744  0.326541  1
  Fe  Fe17  1  0.324478  0.922549  0.282589  1
  Fe  Fe18  1  0.192102  0.220744  0.326541  1
  Fe  Fe19  1  0.725034  0.490220  0.332780  1
  Fe  Fe20  1  0.225034  0.490220  0.332780  1
  Fe  Fe21  1  0.792752  0.840470  0.310764  1
  Fe  Fe22  1  0.864875  0.191210  0.289062  1
  Fe  Fe23  1  0.292752  0.840470  0.310764  1
  Fe  Fe24  1  0.364875  0.191210  0.289062  1
  Fe  Fe25  1  0.955956  0.741683  0.298708  1
  Fe  Fe26  1  0.455956  0.741683  0.298708  1
  Fe  Fe27  1  0.024092  0.088306  0.278150  1
  Fe  Fe28  1  0.890758  0.391335  0.321297  1
  Fe  Fe29  1  0.524092  0.088306  0.278150  1
  Fe  Fe30  1  0.390758  0.391335  0.321297  1
  Fe  Fe31  1  0.794468  0.651869  0.269620  1
  Fe  Fe32  1  0.294468  0.651869  0.269620  1
  Fe  Fe33  1  0.663492  0.951000  0.313743  1
  Fe  Fe34  1  0.729076  0.301151  0.291486  1
  Fe  Fe35  1  0.163492  0.951000  0.313743  1
  Fe  Fe36  1  0.229076  0.301151  0.291486  1
  Fe  Fe37  1  0.104014  0.527218  0.291346  1
  Fe  Fe38  1  0.604014  0.527218  0.291346  1
  Fe  Fe39  1  0.171318  0.876010  0.271000  1
  Fe  Fe40  1  0.038348  0.177147  0.312125  1
  Fe  Fe41  1  0.671318  0.876010  0.271000  1
  Fe  Fe42  1  0.538348  0.177147  0.312125  1
  Fe  Fe43  1  0.956298  0.556378  0.326225  1
  Fe  Fe44  1  0.456298  0.556378  0.326225  1
  Fe  Fe45  1  0.021198  0.906664  0.303853  1
  Fe  Fe46  1  0.084978  0.256964  0.281350  1
  Fe  Fe47  1  0.521198  0.906664  0.303853  1
  Fe  Fe48  1  0.584978  0.256964  0.281350  1
  Fe  Fe49  1  0.824642  0.468574  0.285282  1
  Fe  Fe50  1  0.324642  0.468574  0.285282  1
  Fe  Fe51  1  0.693599  0.769168  0.329935  1
  Fe  Fe52  1  0.759883  0.119795  0.308367  1
  Fe  Fe53  1  0.193599  0.769168  0.329935  1
  Fe  Fe54  1  0.259883  0.119795  0.308367  1
  Fe  Fe55  1  0.839376  0.664700  0.321314  1
  Fe  Fe56  1  0.339376  0.664700  0.321314  1
  Fe  Fe57  1  0.909141  0.015528  0.299371  1
  Fe  Fe58  1  0.976106  0.367325  0.277626  1
  Fe  Fe59  1  0.409141  0.015528  0.299371  1
  Fe  Fe60  1  0.476106  0.367325  0.277626  1
  Fe  Fe61  1  0.007576  0.457490  0.304387  1
  Fe  Fe62  1  0.507576  0.457490  0.304387  1
  Fe  Fe63  1  0.065294  0.806800  0.281289  1
  Fe  Fe64  1  0.942541  0.107626  0.326410  1
  Fe  Fe65  1  0.565294  0.806800  0.281289  1
  Fe  Fe66  1  0.442541  0.107626  0.326410  1
  Fe  Fe67  1  0.653997  0.686744  0.300362  1
  Fe  Fe68  1  0.153997  0.686744  0.300362  1
  Fe  Fe69  1  0.722101  0.035289  0.280125  1
  Fe  Fe70  1  0.587832  0.336359  0.322160  1
  Fe  Fe71  1  0.222101  0.035289  0.280125  1
  Fe  Fe72  1  0.087832  0.336359  0.322160  1
  Fe  Fe73  1  0.558577  0.708062  0.344870  1
  Fe  Fe74  1  0.058577  0.708062  0.344870  1
  Fe  Fe75  1  0.427689  0.007752  0.389335  1
  Fe  Fe76  1  0.493304  0.357474  0.367216  1
  Fe  Fe77  1  0.927689  0.007752  0.389335  1
  Fe  Fe78  1  0.993304  0.357474  0.367216  1
  Fe  Fe79  1  0.782687  0.584237  0.353860  1
  Fe  Fe80  1  0.282687  0.584237  0.353860  1
  Fe  Fe81  1  0.651217  0.883322  0.398260  1
  Fe  Fe82  1  0.716983  0.233840  0.376094  1
  Fe  Fe83  1  0.151217  0.883322  0.398260  1
  Fe  Fe84  1  0.216983  0.233840  0.376094  1
  Fe  Fe85  1  0.561052  0.519062  0.371179  1
  Fe  Fe86  1  0.061052  0.519062  0.371179  1
  Fe  Fe87  1  0.626953  0.869651  0.348732  1
  Fe  Fe88  1  0.495438  0.168491  0.393290  1
  Fe  Fe89  1  0.126953  0.869651  0.348732  1
  Fe  Fe90  1  0.995438  0.168491  0.393290  1
  Fe  Fe91  1  0.528367  0.438635  0.399625  1
  Fe  Fe92  1  0.028367  0.438635  0.399625  1
  Fe  Fe93  1  0.594337  0.789195  0.377249  1
  Fe  Fe94  1  0.659948  0.139707  0.355001  1
  Fe  Fe95  1  0.094337  0.789195  0.377249  1
  Fe  Fe96  1  0.159948  0.139707  0.355001  1
  Fe  Fe97  1  0.758686  0.689791  0.365628  1
  Fe  Fe98  1  0.258686  0.689791  0.365628  1
  Fe  Fe99  1  0.824605  0.040342  0.343396  1
  Fe  Fe100  1  0.693189  0.339394  0.388123  1
  Fe  Fe101  1  0.324605  0.040342  0.343396  1
  Fe  Fe102  1  0.193189  0.339394  0.388123  1
  Fe  Fe103  1  0.598013  0.600271  0.335708  1
  Fe  Fe104  1  0.098013  0.600271  0.335708  1
  Fe  Fe105  1  0.465875  0.899709  0.380478  1
  Fe  Fe106  1  0.531780  0.250031  0.358108  1
  Fe  Fe107  1  0.965875  0.899709  0.380478  1
  Fe  Fe108  1  0.031780  0.250031  0.358108  1
  Fe  Fe109  1  0.906090  0.476932  0.356307  1
  Fe  Fe110  1  0.406090  0.476932  0.356307  1
  Fe  Fe111  1  0.971588  0.827314  0.334259  1
  Fe  Fe112  1  0.840363  0.126383  0.378515  1
  Fe  Fe113  1  0.471588  0.827314  0.334259  1
  Fe  Fe114  1  0.340363  0.126383  0.378515  1
  Fe  Fe115  1  0.758622  0.505004  0.392800  1
  Fe  Fe116  1  0.258622  0.505004  0.392800  1
  Fe  Fe117  1  0.824818  0.855294  0.370588  1
  Fe  Fe118  1  0.890656  0.205785  0.348409  1
  Fe  Fe119  1  0.324818  0.855294  0.370588  1
  Fe  Fe120  1  0.390656  0.205785  0.348409  1
  Fe  Fe121  1  0.628652  0.418425  0.352567  1
  Fe  Fe122  1  0.128652  0.418425  0.352567  1
  Fe  Fe123  1  0.496218  0.717533  0.396805  1
  Fe  Fe124  1  0.562123  0.068048  0.374579  1
  Fe  Fe125  1  0.996218  0.717533  0.396805  1
  Fe  Fe126  1  0.062123  0.068048  0.374579  1
  Fe  Fe127  1  0.640760  0.613812  0.388565  1
  Fe  Fe128  1  0.140760  0.613812  0.388565  1
  Fe  Fe129  1  0.706721  0.964310  0.366358  1
  Fe  Fe130  1  0.772143  0.314914  0.344203  1
  Fe  Fe131  1  0.206721  0.964310  0.366358  1
  Fe  Fe132  1  0.272143  0.314914  0.344203  1
  Fe  Fe133  1  0.810862  0.406829  0.371050  1
  Fe  Fe134  1  0.310862  0.406829  0.371050  1
  Fe  Fe135  1  0.876412  0.757329  0.348814  1
  Fe  Fe136  1  0.745332  0.056343  0.393261  1
  Fe  Fe137  1  0.376412  0.757329  0.348814  1
  Fe  Fe138  1  0.245332  0.056343  0.393261  1
  Fe  Fe139  1  0.456373  0.635856  0.366145  1
  Fe  Fe140  1  0.956373  0.635856  0.366145  1
  Fe  Fe141  1  0.522382  0.986159  0.344246  1
  Fe  Fe142  1  0.390628  0.285300  0.388610  1
  Fe  Fe143  1  0.022382  0.986159  0.344246  1
  Fe  Fe144  1  0.890628  0.285300  0.388610  1
  Fe  Fe145  1  0.361859  0.657094  0.411649  1
  Fe  Fe146  1  0.861859  0.657094  0.411649  1
  Fe  Fe147  1  0.230613  0.956086  0.456058  1
  Fe  Fe148  1  0.296264  0.306620  0.433868  1
  Fe  Fe149  1  0.730613  0.956086  0.456058  1
  Fe  Fe150  1  0.796264  0.306620  0.433868  1
  Fe  Fe151  1  0.585469  0.532905  0.420544  1
  Fe  Fe152  1  0.085469  0.532905  0.420544  1
  Fe  Fe153  1  0.454107  0.831865  0.464955  1
  Fe  Fe154  1  0.519837  0.182378  0.442733  1
  Fe  Fe155  1  0.954107  0.831865  0.464955  1
  Fe  Fe156  1  0.019837  0.182378  0.442733  1
  Fe  Fe157  1  0.363924  0.467656  0.437825  1
  Fe  Fe158  1  0.863924  0.467656  0.437825  1
  Fe  Fe159  1  0.429678  0.817997  0.415478  1
  Fe  Fe160  1  0.298298  0.117124  0.460014  1
  Fe  Fe161  1  0.929678  0.817997  0.415478  1
  Fe  Fe162  1  0.798298  0.117124  0.460014  1
  Fe  Fe163  1  0.331134  0.387181  0.466234  1
  Fe  Fe164  1  0.831134  0.387181  0.466234  1
  Fe  Fe165  1  0.396886  0.737731  0.443929  1
  Fe  Fe166  1  0.462458  0.088204  0.421711  1
  Fe  Fe167  1  0.896886  0.737731  0.443929  1
  Fe  Fe168  1  0.962458  0.088204  0.421711  1
  Fe  Fe169  1  0.561692  0.638403  0.432556  1
  Fe  Fe170  1  0.061692  0.638403  0.432556  1
  Fe  Fe171  1  0.627508  0.988881  0.410331  1
  Fe  Fe172  1  0.496022  0.287755  0.454861  1
  Fe  Fe173  1  0.127508  0.988881  0.410331  1
  Fe  Fe174  1  0.996022  0.287755  0.454861  1
  Fe  Fe175  1  0.400252  0.549165  0.402782  1
  Fe  Fe176  1  0.900252  0.549165  0.402782  1
  Fe  Fe177  1  0.268849  0.848111  0.447160  1
  Fe  Fe178  1  0.334500  0.198684  0.424969  1
  Fe  Fe179  1  0.768849  0.848111  0.447160  1
  Fe  Fe180  1  0.834500  0.198684  0.424969  1
  Fe  Fe181  1  0.708813  0.425323  0.423071  1
  Fe  Fe182  1  0.208813  0.425323  0.423071  1
  Fe  Fe183  1  0.774598  0.775765  0.400775  1
  Fe  Fe184  1  0.643179  0.074762  0.445258  1
  Fe  Fe185  1  0.274598  0.775765  0.400775  1
  Fe  Fe186  1  0.143179  0.074762  0.445258  1
  Fe  Fe187  1  0.561825  0.453381  0.459556  1
  Fe  Fe188  1  0.061825  0.453381  0.459556  1
  Fe  Fe189  1  0.627322  0.803923  0.437260  1
  Fe  Fe190  1  0.692961  0.154477  0.415009  1
  Fe  Fe191  1  0.127322  0.803923  0.437260  1
  Fe  Fe192  1  0.192961  0.154477  0.415009  1
  Fe  Fe193  1  0.430737  0.367149  0.419263  1
  Fe  Fe194  1  0.930737  0.367149  0.419263  1
  Fe  Fe195  1  0.299249  0.666127  0.463713  1
  Fe  Fe196  1  0.365072  0.016620  0.441475  1
  Fe  Fe197  1  0.799249  0.666127  0.463713  1
  Fe  Fe198  1  0.865072  0.016620  0.441475  1
  Fe  Fe199  1  0.443647  0.562330  0.455346  1
  Fe  Fe200  1  0.943647  0.562330  0.455346  1
  Fe  Fe201  1  0.509461  0.912751  0.433006  1
  Fe  Fe202  1  0.575084  0.263173  0.410810  1
  Fe  Fe203  1  0.009461  0.912751  0.433006  1
  Fe  Fe204  1  0.075084  0.263173  0.410810  1
  Fe  Fe205  1  0.613987  0.355358  0.437808  1
  Fe  Fe206  1  0.113987  0.355358  0.437808  1
  Fe  Fe207  1  0.679303  0.705730  0.415471  1
  Fe  Fe208  1  0.548264  0.004789  0.459971  1
  Fe  Fe209  1  0.179303  0.705730  0.415471  1
  Fe  Fe210  1  0.048264  0.004789  0.459971  1
  Fe  Fe211  1  0.259276  0.584230  0.433086  1
  Fe  Fe212  1  0.759276  0.584230  0.433086  1
  Fe  Fe213  1  0.324963  0.934678  0.410844  1
  Fe  Fe214  1  0.193563  0.233681  0.455315  1
  Fe  Fe215  1  0.824963  0.934678  0.410844  1
  Fe  Fe216  1  0.693563  0.233681  0.455315  1
  Fe  Fe217  1  0.164847  0.605568  0.478313  1
  Fe  Fe218  1  0.664847  0.605568  0.478313  1
  Fe  Fe219  1  0.033435  0.904531  0.522761  1
  Fe  Fe220  1  0.099152  0.254974  0.500556  1
  Fe  Fe221  1  0.533435  0.904531  0.522761  1
  Fe  Fe222  1  0.599152  0.254974  0.500556  1
  Fe  Fe223  1  0.388390  0.481344  0.487263  1
  Fe  Fe224  1  0.888390  0.481344  0.487263  1
  Fe  Fe225  1  0.257008  0.780335  0.531668  1
  Fe  Fe226  1  0.322706  0.130837  0.509446  1
  Fe  Fe227  1  0.757008  0.780335  0.531668  1
  Fe  Fe228  1  0.822706  0.130837  0.509446  1
  Fe  Fe229  1  0.166850  0.416062  0.504519  1
  Fe  Fe230  1  0.666850  0.416062  0.504519  1
  Fe  Fe231  1  0.232555  0.766629  0.482240  1
  Fe  Fe232  1  0.101161  0.065564  0.526713  1
  Fe  Fe233  1  0.732555  0.766629  0.482240  1
  Fe  Fe234  1  0.601161  0.065564  0.526713  1
  Fe  Fe235  1  0.134041  0.335615  0.532926  1
  Fe  Fe236  1  0.634041  0.335615  0.532926  1
  Fe  Fe237  1  0.199769  0.686137  0.510669  1
  Fe  Fe238  1  0.265428  0.036650  0.488434  1
  Fe  Fe239  1  0.699769  0.686137  0.510669  1
  Fe  Fe240  1  0.765428  0.036650  0.488434  1
  Fe  Fe241  1  0.364622  0.586797  0.499339  1
  Fe  Fe242  1  0.864622  0.586797  0.499339  1
  Fe  Fe243  1  0.430295  0.937299  0.477055  1
  Fe  Fe244  1  0.298915  0.236245  0.521572  1
  Fe  Fe245  1  0.930295  0.937299  0.477055  1
  Fe  Fe246  1  0.798915  0.236245  0.521572  1
  Fe  Fe247  1  0.203220  0.497565  0.469402  1
  Fe  Fe248  1  0.703220  0.497565  0.469402  1
  Fe  Fe249  1  0.071731  0.796528  0.513851  1
  Fe  Fe250  1  0.137457  0.147101  0.491612  1
  Fe  Fe251  1  0.571731  0.796528  0.513851  1
  Fe  Fe252  1  0.637457  0.147101  0.491612  1
  Fe  Fe253  1  0.511749  0.373763  0.489748  1
  Fe  Fe254  1  0.011749  0.373763  0.489748  1
  Fe  Fe255  1  0.577457  0.724259  0.467538  1
  Fe  Fe256  1  0.446039  0.023263  0.511943  1
  Fe  Fe257  1  0.077457  0.724259  0.467538  1
  Fe  Fe258  1  0.946039  0.023263  0.511943  1
  Fe  Fe259  1  0.364405  0.401937  0.526279  1
  Fe  Fe260  1  0.864405  0.401937  0.526279  1
  Fe  Fe261  1  0.430126  0.752437  0.504005  1
  Fe  Fe262  1  0.496048  0.102881  0.481735  1
  Fe  Fe263  1  0.930126  0.752437  0.504005  1
  Fe  Fe264  1  0.996048  0.102881  0.481735  1
  Fe  Fe265  1  0.233523  0.315627  0.485986  1
  Fe  Fe266  1  0.733523  0.315627  0.485986  1
  Fe  Fe267  1  0.102159  0.614615  0.530466  1
  Fe  Fe268  1  0.167829  0.965104  0.508191  1
  Fe  Fe269  1  0.602159  0.614615  0.530466  1
  Fe  Fe270  1  0.667829  0.965104  0.508191  1
  Fe  Fe271  1  0.246523  0.510715  0.522026  1
  Fe  Fe272  1  0.746523  0.510715  0.522026  1
  Fe  Fe273  1  0.312256  0.861205  0.499742  1
  Fe  Fe274  1  0.378000  0.211721  0.477521  1
  Fe  Fe275  1  0.812256  0.861205  0.499742  1
  Fe  Fe276  1  0.878000  0.211721  0.477521  1
  Fe  Fe277  1  0.416805  0.303829  0.504503  1
  Fe  Fe278  1  0.916805  0.303829  0.504503  1
  Fe  Fe279  1  0.482534  0.654320  0.482268  1
  Fe  Fe280  1  0.351121  0.953278  0.526700  1
  Fe  Fe281  1  0.982534  0.654320  0.482268  1
  Fe  Fe282  1  0.851121  0.953278  0.526700  1
  Fe  Fe283  1  0.062108  0.532681  0.499780  1
  Fe  Fe284  1  0.562108  0.532681  0.499780  1
  Fe  Fe285  1  0.127862  0.883189  0.477512  1
  Fe  Fe286  1  0.996381  0.182189  0.521997  1
  Fe  Fe287  1  0.627862  0.883189  0.477512  1
  Fe  Fe288  1  0.496381  0.182189  0.521997  1
  Fe  Fe289  1  0.967742  0.553998  0.545037  1
  Fe  Fe290  1  0.467742  0.553998  0.545037  1
  Fe  Fe291  1  0.836653  0.852944  0.589505  1
  Fe  Fe292  1  0.902089  0.203483  0.567272  1
  Fe  Fe293  1  0.336653  0.852944  0.589505  1
  Fe  Fe294  1  0.402089  0.203483  0.567272  1
  Fe  Fe295  1  0.191287  0.429778  0.553947  1
  Fe  Fe296  1  0.691287  0.429778  0.553947  1
  Fe  Fe297  1  0.059960  0.728954  0.598310  1
  Fe  Fe298  1  0.125513  0.079281  0.576144  1
  Fe  Fe299  1  0.559960  0.728954  0.598310  1
  Fe  Fe300  1  0.625513  0.079281  0.576144  1
  Fe  Fe301  1  0.969726  0.364553  0.571240  1
  Fe  Fe302  1  0.469726  0.364553  0.571240  1
  Fe  Fe303  1  0.035455  0.715103  0.548962  1
  Fe  Fe304  1  0.903981  0.013972  0.593374  1
  Fe  Fe305  1  0.535455  0.715103  0.548962  1
  Fe  Fe306  1  0.403981  0.013972  0.593374  1
  Fe  Fe307  1  0.936991  0.284122  0.599682  1
  Fe  Fe308  1  0.436991  0.284122  0.599682  1
  Fe  Fe309  1  0.002752  0.634605  0.577435  1
  Fe  Fe310  1  0.068300  0.985085  0.555116  1
  Fe  Fe311  1  0.502752  0.634605  0.577435  1
  Fe  Fe312  1  0.568300  0.985085  0.555116  1
  Fe  Fe313  1  0.167515  0.535188  0.566019  1
  Fe  Fe314  1  0.667515  0.535188  0.566019  1
  Fe  Fe315  1  0.233093  0.885700  0.543764  1
  Fe  Fe316  1  0.101774  0.184708  0.588265  1
  Fe  Fe317  1  0.733093  0.885700  0.543764  1
  Fe  Fe318  1  0.601774  0.184708  0.588265  1
  Fe  Fe319  1  0.006017  0.446007  0.536132  1
  Fe  Fe320  1  0.506017  0.446007  0.536132  1
  Fe  Fe321  1  0.874945  0.744709  0.580604  1
  Fe  Fe322  1  0.940317  0.095601  0.558324  1
  Fe  Fe323  1  0.374945  0.744709  0.580604  1
  Fe  Fe324  1  0.440317  0.095601  0.558324  1
  Fe  Fe325  1  0.314602  0.322189  0.556484  1
  Fe  Fe326  1  0.814602  0.322189  0.556484  1
  Fe  Fe327  1  0.380292  0.672688  0.534246  1
  Fe  Fe328  1  0.248917  0.971733  0.578610  1
  Fe  Fe329  1  0.880292  0.672688  0.534246  1
  Fe  Fe330  1  0.748917  0.971733  0.578610  1
  Fe  Fe331  1  0.167091  0.350454  0.593039  1
  Fe  Fe332  1  0.667091  0.350454  0.593039  1
  Fe  Fe333  1  0.232825  0.700926  0.570750  1
  Fe  Fe334  1  0.298890  0.051326  0.548414  1
  Fe  Fe335  1  0.732825  0.700926  0.570750  1
  Fe  Fe336  1  0.798890  0.051326  0.548414  1
  Fe  Fe337  1  0.036436  0.264080  0.552696  1
  Fe  Fe338  1  0.536436  0.264080  0.552696  1
  Fe  Fe339  1  0.904994  0.563126  0.597134  1
  Fe  Fe340  1  0.970639  0.913471  0.574908  1
  Fe  Fe341  1  0.404994  0.563126  0.597134  1
  Fe  Fe342  1  0.470639  0.913471  0.574908  1
  Fe  Fe343  1  0.049465  0.459159  0.588711  1
  Fe  Fe344  1  0.549465  0.459159  0.588711  1
  Fe  Fe345  1  0.115155  0.809648  0.566475  1
  Fe  Fe346  1  0.180731  0.160184  0.544230  1
  Fe  Fe347  1  0.615155  0.809648  0.566475  1
  Fe  Fe348  1  0.680731  0.160184  0.544230  1
  Fe  Fe349  1  0.219672  0.252285  0.571191  1
  Fe  Fe350  1  0.719672  0.252285  0.571191  1
  Fe  Fe351  1  0.285349  0.602777  0.548954  1
  Fe  Fe352  1  0.154051  0.901669  0.593395  1
  Fe  Fe353  1  0.785349  0.602777  0.548954  1
  Fe  Fe354  1  0.654051  0.901669  0.593395  1
  Fe  Fe355  1  0.865048  0.481077  0.566503  1
  Fe  Fe356  1  0.365048  0.481077  0.566503  1
  Fe  Fe357  1  0.930729  0.831599  0.544198  1
  Fe  Fe358  1  0.799299  0.130636  0.588695  1
  Fe  Fe359  1  0.430729  0.831599  0.544198  1
  Fe  Fe360  1  0.299299  0.130636  0.588695  1
  Fe  Fe361  1  0.770742  0.502462  0.611746  1
  Fe  Fe362  1  0.270742  0.502462  0.611746  1
  Fe  Fe363  1  0.639720  0.801524  0.656272  1
  Fe  Fe364  1  0.705037  0.152073  0.634020  1
  Fe  Fe365  1  0.139720  0.801524  0.656272  1
  Fe  Fe366  1  0.205037  0.152073  0.634020  1
  Fe  Fe367  1  0.994204  0.378408  0.620610  1
  Fe  Fe368  1  0.494204  0.378408  0.620610  1
  Fe  Fe369  1  0.864017  0.678289  0.665170  1
  Fe  Fe370  1  0.928022  0.027350  0.642853  1
  Fe  Fe371  1  0.364017  0.678289  0.665170  1
  Fe  Fe372  1  0.428022  0.027350  0.642853  1
  Fe  Fe373  1  0.772695  0.313140  0.637801  1
  Fe  Fe374  1  0.272695  0.313140  0.637801  1
  Fe  Fe375  1  0.838469  0.663646  0.615465  1
  Fe  Fe376  1  0.706386  0.962286  0.660302  1
  Fe  Fe377  1  0.338469  0.663646  0.615465  1
  Fe  Fe378  1  0.206386  0.962286  0.660302  1
  Fe  Fe379  1  0.741398  0.232480  0.666218  1
  Fe  Fe380  1  0.241398  0.232480  0.666218  1
  Fe  Fe381  1  0.806888  0.583034  0.643993  1
  Fe  Fe382  1  0.871649  0.933237  0.621691  1
  Fe  Fe383  1  0.306888  0.583034  0.643993  1
  Fe  Fe384  1  0.371649  0.933237  0.621691  1
  Fe  Fe385  1  0.970424  0.483603  0.632656  1
  Fe  Fe386  1  0.470424  0.483603  0.632656  1
  Fe  Fe387  1  0.036110  0.834179  0.610509  1
  Fe  Fe388  1  0.904772  0.132713  0.654870  1
  Fe  Fe389  1  0.536110  0.834179  0.610509  1
  Fe  Fe390  1  0.404772  0.132713  0.654870  1
  Fe  Fe391  1  0.809317  0.394201  0.602883  1
  Fe  Fe392  1  0.309317  0.394201  0.602883  1
  Fe  Fe393  1  0.677268  0.693710  0.647368  1
  Fe  Fe394  1  0.742786  0.044255  0.624994  1
  Fe  Fe395  1  0.177268  0.693710  0.647368  1
  Fe  Fe396  1  0.242786  0.044255  0.624994  1
  Fe  Fe397  1  0.117682  0.270595  0.623250  1
  Fe  Fe398  1  0.617682  0.270595  0.623250  1
  Fe  Fe399  1  0.183348  0.621069  0.601003  1
  Fe  Fe400  1  0.051556  0.920108  0.645238  1
  Fe  Fe401  1  0.683348  0.621069  0.601003  1
  Fe  Fe402  1  0.551556  0.920108  0.645238  1
  Fe  Fe403  1  0.969512  0.299257  0.660084  1
  Fe  Fe404  1  0.469512  0.299257  0.660084  1
  Fe  Fe405  1  0.034998  0.649703  0.637827  1
  Fe  Fe406  1  0.101971  0.999665  0.615045  1
  Fe  Fe407  1  0.534998  0.649703  0.637827  1
  Fe  Fe408  1  0.601971  0.999665  0.615045  1
  Fe  Fe409  1  0.839280  0.212573  0.619392  1
  Fe  Fe410  1  0.339280  0.212573  0.619392  1
  Fe  Fe411  1  0.707847  0.511729  0.663770  1
  Fe  Fe412  1  0.773762  0.861709  0.641675  1
  Fe  Fe413  1  0.207847  0.511729  0.663770  1
  Fe  Fe414  1  0.273762  0.861709  0.641675  1
  Fe  Fe415  1  0.852514  0.407673  0.655464  1
  Fe  Fe416  1  0.352514  0.407673  0.655464  1
  Fe  Fe417  1  0.918546  0.757877  0.633378  1
  Fe  Fe418  1  0.983526  0.108662  0.610882  1
  Fe  Fe419  1  0.418546  0.757877  0.633378  1
  Fe  Fe420  1  0.483526  0.108662  0.610882  1
  Fe  Fe421  1  0.022573  0.200775  0.637915  1
  Fe  Fe422  1  0.522573  0.200775  0.637915  1
  Fe  Fe423  1  0.088265  0.551251  0.615674  1
  Fe  Fe424  1  0.957180  0.850214  0.660126  1
  Fe  Fe425  1  0.588265  0.551251  0.615674  1
  Fe  Fe426  1  0.457180  0.850214  0.660126  1
  Fe  Fe427  1  0.668372  0.429385  0.633214  1
  Fe  Fe428  1  0.168372  0.429385  0.633214  1
  Fe  Fe429  1  0.733698  0.779994  0.610927  1
  Fe  Fe430  1  0.601858  0.079044  0.655328  1
  Fe  Fe431  1  0.233698  0.779994  0.610927  1
  Fe  Fe432  1  0.101858  0.079044  0.655328  1
  Fe  Fe433  1  0.573451  0.451266  0.678591  1
  Fe  Fe434  1  0.073451  0.451266  0.678591  1
  Fe  Fe435  1  0.446691  0.749973  0.723267  1
  Fe  Fe436  1  0.516534  0.099736  0.701120  1
  Fe  Fe437  1  0.946691  0.749973  0.723267  1
  Fe  Fe438  1  0.016534  0.099736  0.701120  1
  Fe  Fe439  1  0.797231  0.326993  0.687327  1
  Fe  Fe440  1  0.297231  0.326993  0.687327  1
  Fe  Fe441  1  0.652479  0.630947  0.728833  1
  Fe  Fe442  1  0.727010  0.978839  0.709087  1
  Fe  Fe443  1  0.152479  0.630947  0.728833  1
  Fe  Fe444  1  0.227010  0.978839  0.709087  1
  Fe  Fe445  1  0.575662  0.261515  0.704188  1
  Fe  Fe446  1  0.075662  0.261515  0.704188  1
  Fe  Fe447  1  0.642927  0.611622  0.680991  1
  Fe  Fe448  1  0.505916  0.913353  0.725303  1
  Fe  Fe449  1  0.142927  0.611622  0.680991  1
  Fe  Fe450  1  0.005916  0.913353  0.725303  1
  Fe  Fe451  1  0.543221  0.180897  0.732461  1
  Fe  Fe452  1  0.043221  0.180897  0.732461  1
  Fe  Fe453  1  0.610572  0.532004  0.710623  1
  Fe  Fe454  1  0.670809  0.882575  0.688787  1
  Fe  Fe455  1  0.110572  0.532004  0.710623  1
  Fe  Fe456  1  0.170809  0.882575  0.688787  1
  Fe  Fe457  1  0.772728  0.432438  0.699236  1
  Fe  Fe458  1  0.272728  0.432438  0.699236  1
  Fe  Fe459  1  0.839438  0.782791  0.677496  1
  Fe  Fe460  1  0.709092  0.086273  0.722955  1
  Fe  Fe461  1  0.339438  0.782791  0.677496  1
  Fe  Fe462  1  0.209092  0.086273  0.722955  1
  Fe  Fe463  1  0.611433  0.343324  0.669659  1
  Fe  Fe464  1  0.111433  0.343324  0.669659  1
  Fe  Fe465  1  0.482330  0.637924  0.714298  1
  Fe  Fe466  1  0.545672  0.989464  0.691360  1
  Fe  Fe467  1  0.982330  0.637924  0.714298  1
  Fe  Fe468  1  0.045672  0.989464  0.691360  1
  Fe  Fe469  1  0.921052  0.219660  0.689789  1
  Fe  Fe470  1  0.421052  0.219660  0.689789  1
  Fe  Fe471  1  0.986944  0.569689  0.667650  1
  Fe  Fe472  1  0.854069  0.871030  0.710524  1
  Fe  Fe473  1  0.486944  0.569689  0.667650  1
  Fe  Fe474  1  0.354069  0.871030  0.710524  1
  Fe  Fe475  1  0.773157  0.247822  0.726393  1
  Fe  Fe476  1  0.273157  0.247822  0.726393  1
  Fe  Fe477  1  0.836938  0.598371  0.704534  1
  Fe  Fe478  1  0.902773  0.949172  0.682077  1
  Fe  Fe479  1  0.336938  0.598371  0.704534  1
  Fe  Fe480  1  0.402773  0.949172  0.682077  1
  Fe  Fe481  1  0.641924  0.161270  0.685883  1
  Fe  Fe482  1  0.141924  0.161270  0.685883  1
  Fe  Fe483  1  0.508261  0.465675  0.729415  1
  Fe  Fe484  1  0.577192  0.810018  0.708702  1
  Fe  Fe485  1  0.008261  0.465675  0.729415  1
  Fe  Fe486  1  0.077192  0.810018  0.708702  1
  Fe  Fe487  1  0.646794  0.357137  0.721026  1
  Fe  Fe488  1  0.146794  0.357137  0.721026  1
  Fe  Fe489  1  0.714792  0.707371  0.699199  1
  Fe  Fe490  1  0.781062  0.057428  0.676917  1
  Fe  Fe491  1  0.214792  0.707371  0.699199  1
  Fe  Fe492  1  0.281062  0.057428  0.676917  1
  Fe  Fe493  1  0.826189  0.147821  0.704702  1
  Fe  Fe494  1  0.326189  0.147821  0.704702  1
  Fe  Fe495  1  0.891410  0.499686  0.682370  1
  Fe  Fe496  1  0.760326  0.799972  0.726824  1
  Fe  Fe497  1  0.391410  0.499686  0.682370  1
  Fe  Fe498  1  0.260326  0.799972  0.726824  1
  Fe  Fe499  1  0.470381  0.378678  0.699758  1
  Fe  Fe500  1  0.970381  0.378678  0.699758  1
  Fe  Fe501  1  0.537525  0.728285  0.678201  1
  Fe  Fe502  1  0.402793  0.029437  0.720429  1
  Fe  Fe503  1  0.037525  0.728285  0.678201  1
  Fe  Fe504  1  0.902793  0.029437  0.720429  1
  C  C505  1  0.698115  0.464802  0.270389  1
  C  C506  1  0.198115  0.464802  0.270389  1
  C  C507  1  0.568422  0.762613  0.315180  1
  C  C508  1  0.635929  0.113240  0.292814  1
  C  C509  1  0.068422  0.762613  0.315180  1
  C  C510  1  0.135929  0.113240  0.292814  1
  C  C511  1  0.823405  0.751116  0.312926  1
  C  C512  1  0.323405  0.751116  0.312926  1
  C  C513  1  0.888347  0.102205  0.290595  1
  C  C514  1  0.954166  0.453832  0.268336  1
  C  C515  1  0.388347  0.102205  0.290595  1
  C  C516  1  0.454166  0.453832  0.268336  1
  C  C517  1  0.874871  0.596118  0.296008  1
  C  C518  1  0.374871  0.596118  0.296008  1
  C  C519  1  0.942301  0.948005  0.273506  1
  C  C520  1  0.809672  0.247332  0.318462  1
  C  C521  1  0.442301  0.948005  0.273506  1
  C  C522  1  0.309672  0.247332  0.318462  1
  C  C523  1  0.117650  0.609770  0.297195  1
  C  C524  1  0.617650  0.609770  0.297195  1
  C  C525  1  0.184502  0.959121  0.275212  1
  C  C526  1  0.052330  0.259013  0.319615  1
  C  C527  1  0.684502  0.959121  0.275212  1
  C  C528  1  0.552330  0.259013  0.319615  1
  C  C529  1  0.503733  0.412013  0.337577  1
  C  C530  1  0.003733  0.412013  0.337577  1
  C  C531  1  0.371472  0.711061  0.381708  1
  C  C532  1  0.437347  0.061788  0.359422  1
  C  C533  1  0.871472  0.711061  0.381708  1
  C  C534  1  0.937347  0.061788  0.359422  1
  C  C535  1  0.625684  0.699850  0.379626  1
  C  C536  1  0.125684  0.699850  0.379626  1
  C  C537  1  0.691650  0.050354  0.357434  1
  C  C538  1  0.757700  0.400822  0.335159  1
  C  C539  1  0.191650  0.050354  0.357434  1
  C  C540  1  0.257700  0.400822  0.335159  1
  C  C541  1  0.677762  0.546286  0.362779  1
  C  C542  1  0.177762  0.546286  0.362779  1
  C  C543  1  0.744005  0.896753  0.340595  1
  C  C544  1  0.612185  0.195754  0.384972  1
  C  C545  1  0.244005  0.896753  0.340595  1
  C  C546  1  0.112185  0.195754  0.384972  1
  C  C547  1  0.921513  0.558227  0.364334  1
  C  C548  1  0.421513  0.558227  0.364334  1
  C  C549  1  0.987257  0.908659  0.342029  1
  C  C550  1  0.855851  0.207674  0.386521  1
  C  C551  1  0.487257  0.908659  0.342029  1
  C  C552  1  0.355851  0.207674  0.386521  1
  C  C553  1  0.306122  0.360808  0.404033  1
  C  C554  1  0.806122  0.360808  0.404033  1
  C  C555  1  0.174674  0.659748  0.448471  1
  C  C556  1  0.240509  0.010259  0.426219  1
  C  C557  1  0.674674  0.659748  0.448471  1
  C  C558  1  0.740509  0.010259  0.426219  1
  C  C559  1  0.428593  0.648396  0.446469  1
  C  C560  1  0.928593  0.648396  0.446469  1
  C  C561  1  0.494319  0.998851  0.424174  1
  C  C562  1  0.560093  0.349277  0.402018  1
  C  C563  1  0.994319  0.998851  0.424174  1
  C  C564  1  0.060093  0.349277  0.402018  1
  C  C565  1  0.480855  0.494781  0.429576  1
  C  C566  1  0.980855  0.494781  0.429576  1
  C  C567  1  0.546532  0.845208  0.407228  1
  C  C568  1  0.415216  0.144229  0.451722  1
  C  C569  1  0.046532  0.845208  0.407228  1
  C  C570  1  0.915216  0.144229  0.451722  1
  C  C571  1  0.724353  0.506657  0.430948  1
  C  C572  1  0.224353  0.506657  0.430948  1
  C  C573  1  0.790065  0.857096  0.408705  1
  C  C574  1  0.658702  0.156090  0.453157  1
  C  C575  1  0.290065  0.857096  0.408705  1
  C  C576  1  0.158702  0.156090  0.453157  1
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