# generated using pymatgen
data_Fe4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.75290364
_cell_length_b   24.11690657
_cell_length_c   48.94481132
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4C
_chemical_formula_sum   'Fe504 C126'
_cell_volume   15982.1887796
_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  0.021379  0.691393  0.315922  1
  Fe  Fe2  1  0.688045  0.524726  0.315922  1
  Fe  Fe3  1  0.640595  0.679453  0.336812  1
  Fe  Fe4  1  0.021379  0.191393  0.315922  1
  Fe  Fe5  1  0.973928  0.346120  0.336812  1
  Fe  Fe6  1  0.066678  0.536695  0.295910  1
  Fe  Fe7  1  0.354712  0.358060  0.315922  1
  Fe  Fe8  1  0.307261  0.512787  0.336812  1
  Fe  Fe9  1  0.400012  0.703361  0.295910  1
  Fe  Fe10  1  0.688045  0.024726  0.315922  1
  Fe  Fe11  1  0.640595  0.179453  0.336812  1
  Fe  Fe12  1  0.733345  0.370028  0.295910  1
  Fe  Fe13  1  0.973928  0.846120  0.336812  1
  Fe  Fe14  1  0.066678  0.036695  0.295910  1
  Fe  Fe15  1  0.354712  0.858060  0.315922  1
  Fe  Fe16  1  0.307261  0.012787  0.336812  1
  Fe  Fe17  1  0.400012  0.203361  0.295910  1
  Fe  Fe18  1  0.733345  0.870028  0.295910  1
  Fe  Fe19  1  0.063134  0.791454  0.299814  1
  Fe  Fe20  1  0.729801  0.624787  0.299814  1
  Fe  Fe21  1  0.682488  0.779468  0.320280  1
  Fe  Fe22  1  0.063134  0.291454  0.299814  1
  Fe  Fe23  1  0.015822  0.446135  0.320280  1
  Fe  Fe24  1  0.963927  0.600708  0.340028  1
  Fe  Fe25  1  0.396467  0.458120  0.299814  1
  Fe  Fe26  1  0.349155  0.612801  0.320280  1
  Fe  Fe27  1  0.297260  0.767375  0.340028  1
  Fe  Fe28  1  0.729801  0.124787  0.299814  1
  Fe  Fe29  1  0.682488  0.279468  0.320280  1
  Fe  Fe30  1  0.630593  0.434042  0.340028  1
  Fe  Fe31  1  0.015822  0.946135  0.320280  1
  Fe  Fe32  1  0.963927  0.100708  0.340028  1
  Fe  Fe33  1  0.396467  0.958120  0.299814  1
  Fe  Fe34  1  0.349155  0.112801  0.320280  1
  Fe  Fe35  1  0.297260  0.267375  0.340028  1
  Fe  Fe36  1  0.630594  0.934042  0.340028  1
  Fe  Fe37  1  0.266089  0.797008  0.289419  1
  Fe  Fe38  1  0.932756  0.630342  0.289419  1
  Fe  Fe39  1  0.884907  0.786584  0.309297  1
  Fe  Fe40  1  0.266089  0.297008  0.289419  1
  Fe  Fe41  1  0.218240  0.453251  0.309297  1
  Fe  Fe42  1  0.172198  0.607479  0.329255  1
  Fe  Fe43  1  0.599423  0.463675  0.289419  1
  Fe  Fe44  1  0.551573  0.619918  0.309297  1
  Fe  Fe45  1  0.505532  0.774145  0.329255  1
  Fe  Fe46  1  0.932756  0.130342  0.289419  1
  Fe  Fe47  1  0.884907  0.286584  0.309297  1
  Fe  Fe48  1  0.838865  0.440812  0.329255  1
  Fe  Fe49  1  0.218240  0.953251  0.309297  1
  Fe  Fe50  1  0.172198  0.107479  0.329255  1
  Fe  Fe51  1  0.599423  0.963675  0.289419  1
  Fe  Fe52  1  0.551573  0.119918  0.309297  1
  Fe  Fe53  1  0.505532  0.274145  0.329255  1
  Fe  Fe54  1  0.838865  0.940812  0.329255  1
  Fe  Fe55  1  0.214831  0.697864  0.310631  1
  Fe  Fe56  1  0.881497  0.531198  0.310631  1
  Fe  Fe57  1  0.833081  0.683586  0.330259  1
  Fe  Fe58  1  0.214831  0.197864  0.310631  1
  Fe  Fe59  1  0.166414  0.350253  0.330259  1
  Fe  Fe60  1  0.259720  0.544521  0.289687  1
  Fe  Fe61  1  0.548164  0.364531  0.310631  1
  Fe  Fe62  1  0.499747  0.516920  0.330259  1
  Fe  Fe63  1  0.593053  0.711188  0.289687  1
  Fe  Fe64  1  0.881497  0.031198  0.310631  1
  Fe  Fe65  1  0.833081  0.183586  0.330259  1
  Fe  Fe66  1  0.926387  0.377854  0.289687  1
  Fe  Fe67  1  0.166414  0.850253  0.330259  1
  Fe  Fe68  1  0.259720  0.044521  0.289687  1
  Fe  Fe69  1  0.548164  0.864531  0.310631  1
  Fe  Fe70  1  0.499747  0.016920  0.330259  1
  Fe  Fe71  1  0.593053  0.211188  0.289687  1
  Fe  Fe72  1  0.926387  0.877854  0.289687  1
  Fe  Fe73  1  0.877439  0.655268  0.378558  1
  Fe  Fe74  1  0.544106  0.488602  0.378558  1
  Fe  Fe75  1  0.496660  0.643462  0.399527  1
  Fe  Fe76  1  0.877439  0.155268  0.378558  1
  Fe  Fe77  1  0.829993  0.310129  0.399527  1
  Fe  Fe78  1  0.925299  0.500444  0.357783  1
  Fe  Fe79  1  0.210773  0.321935  0.378558  1
  Fe  Fe80  1  0.163326  0.476795  0.399527  1
  Fe  Fe81  1  0.258632  0.667111  0.357783  1
  Fe  Fe82  1  0.544106  0.988602  0.378558  1
  Fe  Fe83  1  0.496660  0.143462  0.399527  1
  Fe  Fe84  1  0.591965  0.333778  0.357783  1
  Fe  Fe85  1  0.829993  0.810129  0.399527  1
  Fe  Fe86  1  0.925299  0.000444  0.357783  1
  Fe  Fe87  1  0.210773  0.821935  0.378558  1
  Fe  Fe88  1  0.163326  0.976795  0.399527  1
  Fe  Fe89  1  0.258632  0.167111  0.357783  1
  Fe  Fe90  1  0.591965  0.833778  0.357783  1
  Fe  Fe91  1  0.916820  0.755334  0.361008  1
  Fe  Fe92  1  0.583487  0.588667  0.361008  1
  Fe  Fe93  1  0.537212  0.743613  0.382356  1
  Fe  Fe94  1  0.916820  0.255334  0.361008  1
  Fe  Fe95  1  0.870545  0.410280  0.382356  1
  Fe  Fe96  1  0.822150  0.564941  0.402884  1
  Fe  Fe97  1  0.250153  0.422000  0.361008  1
  Fe  Fe98  1  0.203878  0.576947  0.382356  1
  Fe  Fe99  1  0.155483  0.731608  0.402884  1
  Fe  Fe100  1  0.583487  0.088667  0.361008  1
  Fe  Fe101  1  0.537212  0.243613  0.382356  1
  Fe  Fe102  1  0.488816  0.398274  0.402884  1
  Fe  Fe103  1  0.870545  0.910280  0.382356  1
  Fe  Fe104  1  0.822150  0.064941  0.402884  1
  Fe  Fe105  1  0.250153  0.922000  0.361008  1
  Fe  Fe106  1  0.203878  0.076947  0.382356  1
  Fe  Fe107  1  0.155483  0.231608  0.402884  1
  Fe  Fe108  1  0.488816  0.898274  0.402884  1
  Fe  Fe109  1  0.123446  0.761599  0.349517  1
  Fe  Fe110  1  0.790113  0.594932  0.349517  1
  Fe  Fe111  1  0.742752  0.749889  0.370378  1
  Fe  Fe112  1  0.123446  0.261599  0.349517  1
  Fe  Fe113  1  0.076085  0.416555  0.370378  1
  Fe  Fe114  1  0.028569  0.571662  0.391902  1
  Fe  Fe115  1  0.456780  0.428265  0.349517  1
  Fe  Fe116  1  0.409419  0.583222  0.370378  1
  Fe  Fe117  1  0.361902  0.738329  0.391902  1
  Fe  Fe118  1  0.790113  0.094932  0.349517  1
  Fe  Fe119  1  0.742752  0.249889  0.370378  1
  Fe  Fe120  1  0.695235  0.404996  0.391902  1
  Fe  Fe121  1  0.076085  0.916555  0.370378  1
  Fe  Fe122  1  0.028569  0.071662  0.391902  1
  Fe  Fe123  1  0.456780  0.928265  0.349517  1
  Fe  Fe124  1  0.409419  0.083222  0.370378  1
  Fe  Fe125  1  0.361902  0.238329  0.391902  1
  Fe  Fe126  1  0.695235  0.904996  0.391902  1
  Fe  Fe127  1  0.072225  0.659011  0.372810  1
  Fe  Fe128  1  0.738891  0.492344  0.372810  1
  Fe  Fe129  1  0.691068  0.646551  0.393397  1
  Fe  Fe130  1  0.072225  0.159011  0.372810  1
  Fe  Fe131  1  0.024401  0.313218  0.393397  1
  Fe  Fe132  1  0.120092  0.503591  0.351682  1
  Fe  Fe133  1  0.405558  0.325678  0.372810  1
  Fe  Fe134  1  0.357735  0.479884  0.393397  1
  Fe  Fe135  1  0.453425  0.670258  0.351682  1
  Fe  Fe136  1  0.738891  0.992344  0.372810  1
  Fe  Fe137  1  0.691068  0.146551  0.393397  1
  Fe  Fe138  1  0.786758  0.336924  0.351682  1
  Fe  Fe139  1  0.024401  0.813218  0.393397  1
  Fe  Fe140  1  0.120092  0.003591  0.351682  1
  Fe  Fe141  1  0.405558  0.825678  0.372810  1
  Fe  Fe142  1  0.357735  0.979884  0.393397  1
  Fe  Fe143  1  0.453425  0.170258  0.351682  1
  Fe  Fe144  1  0.786758  0.836924  0.351682  1
  Fe  Fe145  1  0.734814  0.619662  0.441182  1
  Fe  Fe146  1  0.401481  0.452995  0.441182  1
  Fe  Fe147  1  0.353837  0.607787  0.462053  1
  Fe  Fe148  1  0.734814  0.119662  0.441182  1
  Fe  Fe149  1  0.687171  0.274454  0.462053  1
  Fe  Fe150  1  0.782421  0.465000  0.420348  1
  Fe  Fe151  1  0.068148  0.286328  0.441182  1
  Fe  Fe152  1  0.020504  0.441121  0.462053  1
  Fe  Fe153  1  0.115754  0.631667  0.420348  1
  Fe  Fe154  1  0.401481  0.952995  0.441182  1
  Fe  Fe155  1  0.353837  0.107787  0.462053  1
  Fe  Fe156  1  0.449087  0.298333  0.420348  1
  Fe  Fe157  1  0.687171  0.774454  0.462053  1
  Fe  Fe158  1  0.782421  0.965000  0.420348  1
  Fe  Fe159  1  0.068148  0.786328  0.441182  1
  Fe  Fe160  1  0.020504  0.941121  0.462053  1
  Fe  Fe161  1  0.115754  0.131667  0.420348  1
  Fe  Fe162  1  0.449087  0.798333  0.420348  1
  Fe  Fe163  1  0.774256  0.719853  0.423786  1
  Fe  Fe164  1  0.440923  0.553186  0.423786  1
  Fe  Fe165  1  0.393519  0.707934  0.444624  1
  Fe  Fe166  1  0.774256  0.219853  0.423786  1
  Fe  Fe167  1  0.726852  0.374601  0.444624  1
  Fe  Fe168  1  0.679128  0.529311  0.465411  1
  Fe  Fe169  1  0.107589  0.386519  0.423786  1
  Fe  Fe170  1  0.060186  0.541268  0.444624  1
  Fe  Fe171  1  0.012461  0.695978  0.465411  1
  Fe  Fe172  1  0.440923  0.053186  0.423786  1
  Fe  Fe173  1  0.393519  0.207934  0.444624  1
  Fe  Fe174  1  0.345795  0.362645  0.465411  1
  Fe  Fe175  1  0.726852  0.874601  0.444624  1
  Fe  Fe176  1  0.679128  0.029311  0.465411  1
  Fe  Fe177  1  0.107589  0.886519  0.423786  1
  Fe  Fe178  1  0.060186  0.041268  0.444624  1
  Fe  Fe179  1  0.012461  0.195978  0.465411  1
  Fe  Fe180  1  0.345795  0.862645  0.465411  1
  Fe  Fe181  1  0.980694  0.726184  0.412510  1
  Fe  Fe182  1  0.647361  0.559518  0.412510  1
  Fe  Fe183  1  0.599881  0.714351  0.433337  1
  Fe  Fe184  1  0.980694  0.226184  0.412510  1
  Fe  Fe185  1  0.933214  0.381017  0.433337  1
  Fe  Fe186  1  0.885750  0.535820  0.454123  1
  Fe  Fe187  1  0.314028  0.392851  0.412510  1
  Fe  Fe188  1  0.266548  0.547684  0.433337  1
  Fe  Fe189  1  0.219083  0.702487  0.454123  1
  Fe  Fe190  1  0.647361  0.059518  0.412510  1
  Fe  Fe191  1  0.599881  0.214351  0.433337  1
  Fe  Fe192  1  0.552417  0.369154  0.454123  1
  Fe  Fe193  1  0.933214  0.881017  0.433337  1
  Fe  Fe194  1  0.885750  0.035820  0.454123  1
  Fe  Fe195  1  0.314028  0.892851  0.412510  1
  Fe  Fe196  1  0.266548  0.047684  0.433337  1
  Fe  Fe197  1  0.219083  0.202487  0.454123  1
  Fe  Fe198  1  0.552417  0.869154  0.454123  1
  Fe  Fe199  1  0.929153  0.623274  0.435020  1
  Fe  Fe200  1  0.595819  0.456608  0.435020  1
  Fe  Fe201  1  0.548306  0.611117  0.455932  1
  Fe  Fe202  1  0.929153  0.123274  0.435020  1
  Fe  Fe203  1  0.881640  0.277784  0.455932  1
  Fe  Fe204  1  0.976820  0.468391  0.414142  1
  Fe  Fe205  1  0.262486  0.289941  0.435020  1
  Fe  Fe206  1  0.214973  0.444450  0.455932  1
  Fe  Fe207  1  0.310154  0.635058  0.414142  1
  Fe  Fe208  1  0.595819  0.956608  0.435020  1
  Fe  Fe209  1  0.548306  0.111117  0.455932  1
  Fe  Fe210  1  0.643487  0.301724  0.414142  1
  Fe  Fe211  1  0.881640  0.777784  0.455932  1
  Fe  Fe212  1  0.976820  0.968391  0.414142  1
  Fe  Fe213  1  0.262486  0.789941  0.435020  1
  Fe  Fe214  1  0.214973  0.944450  0.455932  1
  Fe  Fe215  1  0.310154  0.135058  0.414142  1
  Fe  Fe216  1  0.643487  0.801724  0.414142  1
  Fe  Fe217  1  0.591968  0.583996  0.503712  1
  Fe  Fe218  1  0.258635  0.417329  0.503712  1
  Fe  Fe219  1  0.211001  0.572103  0.524550  1
  Fe  Fe220  1  0.591968  0.083996  0.503712  1
  Fe  Fe221  1  0.544335  0.238770  0.524550  1
  Fe  Fe222  1  0.639608  0.429265  0.482885  1
  Fe  Fe223  1  0.925302  0.250662  0.503712  1
  Fe  Fe224  1  0.877668  0.405436  0.524550  1
  Fe  Fe225  1  0.972942  0.595932  0.482885  1
  Fe  Fe226  1  0.258635  0.917329  0.503712  1
  Fe  Fe227  1  0.211001  0.072103  0.524550  1
  Fe  Fe228  1  0.306275  0.262598  0.482885  1
  Fe  Fe229  1  0.544335  0.738770  0.524550  1
  Fe  Fe230  1  0.639608  0.929265  0.482885  1
  Fe  Fe231  1  0.925302  0.750662  0.503712  1
  Fe  Fe232  1  0.877668  0.905436  0.524550  1
  Fe  Fe233  1  0.972942  0.095932  0.482885  1
  Fe  Fe234  1  0.306275  0.762598  0.482885  1
  Fe  Fe235  1  0.631677  0.684137  0.486328  1
  Fe  Fe236  1  0.298344  0.517470  0.486328  1
  Fe  Fe237  1  0.250700  0.672254  0.507172  1
  Fe  Fe238  1  0.631677  0.184137  0.486328  1
  Fe  Fe239  1  0.584034  0.338921  0.507172  1
  Fe  Fe240  1  0.536341  0.493656  0.528038  1
  Fe  Fe241  1  0.965010  0.350804  0.486328  1
  Fe  Fe242  1  0.917367  0.505587  0.507172  1
  Fe  Fe243  1  0.869674  0.660323  0.528038  1
  Fe  Fe244  1  0.298344  0.017470  0.486328  1
  Fe  Fe245  1  0.250700  0.172254  0.507172  1
  Fe  Fe246  1  0.203007  0.326990  0.528038  1
  Fe  Fe247  1  0.584034  0.838921  0.507172  1
  Fe  Fe248  1  0.536341  0.993656  0.528038  1
  Fe  Fe249  1  0.965010  0.850804  0.486328  1
  Fe  Fe250  1  0.917367  0.005587  0.507172  1
  Fe  Fe251  1  0.869674  0.160323  0.528038  1
  Fe  Fe252  1  0.203007  0.826990  0.528038  1
  Fe  Fe253  1  0.838016  0.690572  0.474983  1
  Fe  Fe254  1  0.504683  0.523905  0.474983  1
  Fe  Fe255  1  0.457055  0.678736  0.495884  1
  Fe  Fe256  1  0.838016  0.190572  0.474983  1
  Fe  Fe257  1  0.790389  0.345403  0.495884  1
  Fe  Fe258  1  0.742787  0.500139  0.516717  1
  Fe  Fe259  1  0.171349  0.357239  0.474983  1
  Fe  Fe260  1  0.123722  0.512070  0.495884  1
  Fe  Fe261  1  0.076120  0.666806  0.516717  1
  Fe  Fe262  1  0.504683  0.023905  0.474983  1
  Fe  Fe263  1  0.457055  0.178736  0.495884  1
  Fe  Fe264  1  0.409453  0.333473  0.516717  1
  Fe  Fe265  1  0.790389  0.845403  0.495884  1
  Fe  Fe266  1  0.742787  1.000139  0.516717  1
  Fe  Fe267  1  0.171349  0.857239  0.474983  1
  Fe  Fe268  1  0.123722  0.012070  0.495884  1
  Fe  Fe269  1  0.076120  0.166806  0.516717  1
  Fe  Fe270  1  0.409453  0.833473  0.516717  1
  Fe  Fe271  1  0.786393  0.587430  0.497629  1
  Fe  Fe272  1  0.453060  0.420763  0.497629  1
  Fe  Fe273  1  0.405452  0.575517  0.518463  1
  Fe  Fe274  1  0.786393  0.087430  0.497629  1
  Fe  Fe275  1  0.738786  0.242183  0.518463  1
  Fe  Fe276  1  0.834010  0.432680  0.476780  1
  Fe  Fe277  1  0.119726  0.254097  0.497629  1
  Fe  Fe278  1  0.072119  0.408850  0.518463  1
  Fe  Fe279  1  0.167343  0.599347  0.476780  1
  Fe  Fe280  1  0.453060  0.920763  0.497629  1
  Fe  Fe281  1  0.405452  0.075517  0.518463  1
  Fe  Fe282  1  0.500677  0.266013  0.476780  1
  Fe  Fe283  1  0.738786  0.742183  0.518463  1
  Fe  Fe284  1  0.834010  0.932680  0.476780  1
  Fe  Fe285  1  0.119726  0.754097  0.497629  1
  Fe  Fe286  1  0.072119  0.908850  0.518463  1
  Fe  Fe287  1  0.167343  0.099347  0.476780  1
  Fe  Fe288  1  0.500677  0.766013  0.476780  1
  Fe  Fe289  1  0.449219  0.548329  0.566410  1
  Fe  Fe290  1  0.115886  0.381662  0.566410  1
  Fe  Fe291  1  0.068320  0.536392  0.587236  1
  Fe  Fe292  1  0.449219  0.048329  0.566410  1
  Fe  Fe293  1  0.401653  0.203059  0.587236  1
  Fe  Fe294  1  0.496711  0.393511  0.545401  1
  Fe  Fe295  1  0.782552  0.214995  0.566410  1
  Fe  Fe296  1  0.734987  0.369725  0.587236  1
  Fe  Fe297  1  0.830045  0.560178  0.545401  1
  Fe  Fe298  1  0.115886  0.881662  0.566410  1
  Fe  Fe299  1  0.068320  0.036392  0.587236  1
  Fe  Fe300  1  0.163378  0.226845  0.545401  1
  Fe  Fe301  1  0.401653  0.703059  0.587236  1
  Fe  Fe302  1  0.496711  0.893511  0.545401  1
  Fe  Fe303  1  0.782552  0.714995  0.566410  1
  Fe  Fe304  1  0.734987  0.869725  0.587236  1
  Fe  Fe305  1  0.830045  0.060178  0.545401  1
  Fe  Fe306  1  0.163378  0.726845  0.545401  1
  Fe  Fe307  1  0.488752  0.648329  0.548947  1
  Fe  Fe308  1  0.155419  0.481663  0.548947  1
  Fe  Fe309  1  0.107825  0.636360  0.569742  1
  Fe  Fe310  1  0.488752  0.148329  0.548947  1
  Fe  Fe311  1  0.441158  0.303027  0.569742  1
  Fe  Fe312  1  0.393599  0.457971  0.590452  1
  Fe  Fe313  1  0.822085  0.314996  0.548947  1
  Fe  Fe314  1  0.774491  0.469693  0.569742  1
  Fe  Fe315  1  0.726932  0.624637  0.590452  1
  Fe  Fe316  1  0.155419  0.981663  0.548947  1
  Fe  Fe317  1  0.107825  0.136360  0.569742  1
  Fe  Fe318  1  0.060266  0.291304  0.590452  1
  Fe  Fe319  1  0.441158  0.803027  0.569742  1
  Fe  Fe320  1  0.393599  0.957971  0.590452  1
  Fe  Fe321  1  0.822085  0.814996  0.548947  1
  Fe  Fe322  1  0.774491  0.969693  0.569742  1
  Fe  Fe323  1  0.726932  0.124637  0.590452  1
  Fe  Fe324  1  0.060266  0.791304  0.590452  1
  Fe  Fe325  1  0.695218  0.654847  0.537573  1
  Fe  Fe326  1  0.361885  0.488180  0.537573  1
  Fe  Fe327  1  0.314470  0.642868  0.558457  1
  Fe  Fe328  1  0.695218  0.154847  0.537573  1
  Fe  Fe329  1  0.647803  0.309534  0.558457  1
  Fe  Fe330  1  0.599988  0.464324  0.579289  1
  Fe  Fe331  1  0.028552  0.321513  0.537573  1
  Fe  Fe332  1  0.981136  0.476201  0.558457  1
  Fe  Fe333  1  0.933322  0.630990  0.579289  1
  Fe  Fe334  1  0.361885  0.988180  0.537573  1
  Fe  Fe335  1  0.314470  0.142868  0.558457  1
  Fe  Fe336  1  0.266655  0.297657  0.579289  1
  Fe  Fe337  1  0.647803  0.809534  0.558457  1
  Fe  Fe338  1  0.599988  0.964324  0.579289  1
  Fe  Fe339  1  0.028552  0.821513  0.537573  1
  Fe  Fe340  1  0.981136  0.976201  0.558457  1
  Fe  Fe341  1  0.933322  0.130990  0.579289  1
  Fe  Fe342  1  0.266655  0.797657  0.579289  1
  Fe  Fe343  1  0.643333  0.551791  0.560175  1
  Fe  Fe344  1  0.309999  0.385125  0.560175  1
  Fe  Fe345  1  0.262497  0.539863  0.581012  1
  Fe  Fe346  1  0.643333  0.051791  0.560175  1
  Fe  Fe347  1  0.595831  0.206530  0.581012  1
  Fe  Fe348  1  0.691178  0.396999  0.539315  1
  Fe  Fe349  1  0.976666  0.218458  0.560175  1
  Fe  Fe350  1  0.929164  0.373197  0.581012  1
  Fe  Fe351  1  0.024512  0.563665  0.539315  1
  Fe  Fe352  1  0.309999  0.885125  0.560175  1
  Fe  Fe353  1  0.262497  0.039863  0.581012  1
  Fe  Fe354  1  0.357845  0.230332  0.539315  1
  Fe  Fe355  1  0.595831  0.706530  0.581012  1
  Fe  Fe356  1  0.691178  0.896999  0.539315  1
  Fe  Fe357  1  0.976666  0.718458  0.560175  1
  Fe  Fe358  1  0.929164  0.873197  0.581012  1
  Fe  Fe359  1  0.024512  0.063665  0.539315  1
  Fe  Fe360  1  0.357845  0.730332  0.539315  1
  Fe  Fe361  1  0.306026  0.512184  0.628471  1
  Fe  Fe362  1  0.972693  0.345518  0.628471  1
  Fe  Fe363  1  0.925291  0.500602  0.649895  1
  Fe  Fe364  1  0.306026  0.012184  0.628471  1
  Fe  Fe365  1  0.258624  0.167269  0.649895  1
  Fe  Fe366  1  0.353877  0.357565  0.607772  1
  Fe  Fe367  1  0.639360  0.178851  0.628471  1
  Fe  Fe368  1  0.591958  0.333935  0.649895  1
  Fe  Fe369  1  0.687210  0.524232  0.607772  1
  Fe  Fe370  1  0.972693  0.845518  0.628471  1
  Fe  Fe371  1  0.925291  0.000602  0.649895  1
  Fe  Fe372  1  0.020544  0.190899  0.607772  1
  Fe  Fe373  1  0.258624  0.667269  0.649895  1
  Fe  Fe374  1  0.353877  0.857565  0.607772  1
  Fe  Fe375  1  0.639360  0.678851  0.628471  1
  Fe  Fe376  1  0.591958  0.833935  0.649895  1
  Fe  Fe377  1  0.687210  0.024232  0.607772  1
  Fe  Fe378  1  0.020544  0.690899  0.607772  1
  Fe  Fe379  1  0.345800  0.612744  0.611418  1
  Fe  Fe380  1  0.012467  0.446078  0.611418  1
  Fe  Fe381  1  0.964935  0.600860  0.632267  1
  Fe  Fe382  1  0.345800  0.112744  0.611418  1
  Fe  Fe383  1  0.298268  0.267526  0.632267  1
  Fe  Fe384  1  0.250767  0.421377  0.653534  1
  Fe  Fe385  1  0.679134  0.279411  0.611418  1
  Fe  Fe386  1  0.631601  0.434193  0.632267  1
  Fe  Fe387  1  0.584101  0.588044  0.653534  1
  Fe  Fe388  1  0.012467  0.946078  0.611418  1
  Fe  Fe389  1  0.964935  0.100860  0.632267  1
  Fe  Fe390  1  0.917434  0.254711  0.653534  1
  Fe  Fe391  1  0.298268  0.767526  0.632267  1
  Fe  Fe392  1  0.250767  0.921377  0.653534  1
  Fe  Fe393  1  0.679134  0.779411  0.611418  1
  Fe  Fe394  1  0.631601  0.934193  0.632267  1
  Fe  Fe395  1  0.584101  0.088044  0.653534  1
  Fe  Fe396  1  0.917434  0.754711  0.653534  1
  Fe  Fe397  1  0.552104  0.619222  0.600041  1
  Fe  Fe398  1  0.218771  0.452556  0.600041  1
  Fe  Fe399  1  0.171190  0.607279  0.620871  1
  Fe  Fe400  1  0.552104  0.119222  0.600041  1
  Fe  Fe401  1  0.504524  0.273946  0.620871  1
  Fe  Fe402  1  0.457364  0.428353  0.641847  1
  Fe  Fe403  1  0.885437  0.285889  0.600041  1
  Fe  Fe404  1  0.837857  0.440612  0.620871  1
  Fe  Fe405  1  0.790697  0.595020  0.641847  1
  Fe  Fe406  1  0.218771  0.952556  0.600041  1
  Fe  Fe407  1  0.171190  0.107279  0.620871  1
  Fe  Fe408  1  0.124030  0.261687  0.641847  1
  Fe  Fe409  1  0.504524  0.773946  0.620871  1
  Fe  Fe410  1  0.457364  0.928353  0.641847  1
  Fe  Fe411  1  0.885437  0.785889  0.600041  1
  Fe  Fe412  1  0.837857  0.940612  0.620871  1
  Fe  Fe413  1  0.790697  0.095020  0.641847  1
  Fe  Fe414  1  0.124030  0.761687  0.641847  1
  Fe  Fe415  1  0.500692  0.515732  0.622757  1
  Fe  Fe416  1  0.167359  0.349065  0.622757  1
  Fe  Fe417  1  0.119566  0.503928  0.643674  1
  Fe  Fe418  1  0.500692  0.015732  0.622757  1
  Fe  Fe419  1  0.452900  0.170595  0.643674  1
  Fe  Fe420  1  0.548567  0.361174  0.601857  1
  Fe  Fe421  1  0.834025  0.182398  0.622757  1
  Fe  Fe422  1  0.786233  0.337262  0.643674  1
  Fe  Fe423  1  0.881900  0.527841  0.601857  1
  Fe  Fe424  1  0.167359  0.849065  0.622757  1
  Fe  Fe425  1  0.119566  0.003928  0.643674  1
  Fe  Fe426  1  0.215233  0.194508  0.601857  1
  Fe  Fe427  1  0.452900  0.670595  0.643674  1
  Fe  Fe428  1  0.548567  0.861174  0.601857  1
  Fe  Fe429  1  0.834025  0.682398  0.622757  1
  Fe  Fe430  1  0.786233  0.837262  0.643674  1
  Fe  Fe431  1  0.881900  0.027841  0.601857  1
  Fe  Fe432  1  0.215233  0.694508  0.601857  1
  Fe  Fe433  1  0.164401  0.477411  0.692928  1
  Fe  Fe434  1  0.831067  0.310744  0.692928  1
  Fe  Fe435  1  0.783261  0.468786  0.712938  1
  Fe  Fe436  1  0.164401  0.977411  0.692928  1
  Fe  Fe437  1  0.116595  0.135453  0.712938  1
  Fe  Fe438  1  0.210957  0.323077  0.671015  1
  Fe  Fe439  1  0.497734  0.144078  0.692928  1
  Fe  Fe440  1  0.449928  0.302120  0.712938  1
  Fe  Fe441  1  0.544291  0.489744  0.671015  1
  Fe  Fe442  1  0.831067  0.810744  0.692928  1
  Fe  Fe443  1  0.783261  0.968786  0.712938  1
  Fe  Fe444  1  0.877624  0.156411  0.671015  1
  Fe  Fe445  1  0.116595  0.635453  0.712938  1
  Fe  Fe446  1  0.210957  0.823077  0.671015  1
  Fe  Fe447  1  0.497734  0.644078  0.692928  1
  Fe  Fe448  1  0.449928  0.802120  0.712938  1
  Fe  Fe449  1  0.544291  0.989744  0.671015  1
  Fe  Fe450  1  0.877624  0.656411  0.671015  1
  Fe  Fe451  1  0.203754  0.577724  0.673803  1
  Fe  Fe452  1  0.870420  0.411057  0.673803  1
  Fe  Fe453  1  0.821793  0.564838  0.694256  1
  Fe  Fe454  1  0.203754  0.077724  0.673803  1
  Fe  Fe455  1  0.155127  0.231505  0.694256  1
  Fe  Fe456  1  0.109792  0.390751  0.713223  1
  Fe  Fe457  1  0.537087  0.244391  0.673803  1
  Fe  Fe458  1  0.488460  0.398172  0.694256  1
  Fe  Fe459  1  0.443125  0.557418  0.713223  1
  Fe  Fe460  1  0.870420  0.911057  0.673803  1
  Fe  Fe461  1  0.821793  0.064838  0.694256  1
  Fe  Fe462  1  0.776458  0.224084  0.713223  1
  Fe  Fe463  1  0.155127  0.731505  0.694256  1
  Fe  Fe464  1  0.109792  0.890751  0.713223  1
  Fe  Fe465  1  0.537087  0.744391  0.673803  1
  Fe  Fe466  1  0.488460  0.898172  0.694256  1
  Fe  Fe467  1  0.443125  0.057418  0.713223  1
  Fe  Fe468  1  0.776458  0.724084  0.713223  1
  Fe  Fe469  1  0.409226  0.582769  0.663046  1
  Fe  Fe470  1  0.075893  0.416102  0.663046  1
  Fe  Fe471  1  0.029873  0.571862  0.683484  1
  Fe  Fe472  1  0.409226  0.082769  0.663046  1
  Fe  Fe473  1  0.363207  0.238528  0.683484  1
  Fe  Fe474  1  0.311145  0.393553  0.703327  1
  Fe  Fe475  1  0.742560  0.249436  0.663046  1
  Fe  Fe476  1  0.696540  0.405195  0.683484  1
  Fe  Fe477  1  0.644479  0.560219  0.703327  1
  Fe  Fe478  1  0.075893  0.916102  0.663046  1
  Fe  Fe479  1  0.029873  0.071862  0.683484  1
  Fe  Fe480  1  0.977812  0.226886  0.703327  1
  Fe  Fe481  1  0.363207  0.738528  0.683484  1
  Fe  Fe482  1  0.311145  0.893553  0.703327  1
  Fe  Fe483  1  0.742560  0.749436  0.663046  1
  Fe  Fe484  1  0.696540  0.905195  0.683484  1
  Fe  Fe485  1  0.644479  0.060219  0.703327  1
  Fe  Fe486  1  0.977812  0.726886  0.703327  1
  Fe  Fe487  1  0.359018  0.480189  0.685021  1
  Fe  Fe488  1  0.025684  0.313522  0.685021  1
  Fe  Fe489  1  0.971690  0.467251  0.705565  1
  Fe  Fe490  1  0.359018  0.980189  0.685021  1
  Fe  Fe491  1  0.305023  0.133917  0.705565  1
  Fe  Fe492  1  0.405461  0.326157  0.664539  1
  Fe  Fe493  1  0.692351  0.146856  0.685021  1
  Fe  Fe494  1  0.638357  0.300584  0.705565  1
  Fe  Fe495  1  0.738794  0.492824  0.664539  1
  Fe  Fe496  1  0.025684  0.813522  0.685021  1
  Fe  Fe497  1  0.971690  0.967251  0.705565  1
  Fe  Fe498  1  0.072127  0.159491  0.664539  1
  Fe  Fe499  1  0.305023  0.633917  0.705565  1
  Fe  Fe500  1  0.405461  0.826157  0.664539  1
  Fe  Fe501  1  0.692351  0.646856  0.685021  1
  Fe  Fe502  1  0.638357  0.800584  0.705565  1
  Fe  Fe503  1  0.738794  0.992824  0.664539  1
  Fe  Fe504  1  0.072127  0.659491  0.664539  1
  C  C505  1  0.175575  0.752727  0.286595  1
  C  C506  1  0.842242  0.586061  0.286595  1
  C  C507  1  0.795983  0.741119  0.307520  1
  C  C508  1  0.175575  0.252727  0.286595  1
  C  C509  1  0.129316  0.407786  0.307520  1
  C  C510  1  0.081619  0.562556  0.329698  1
  C  C511  1  0.508909  0.419394  0.286595  1
  C  C512  1  0.462649  0.574453  0.307520  1
  C  C513  1  0.414953  0.729223  0.329698  1
  C  C514  1  0.842242  0.086061  0.286595  1
  C  C515  1  0.795983  0.241119  0.307520  1
  C  C516  1  0.748286  0.395889  0.329698  1
  C  C517  1  0.129316  0.907786  0.307520  1
  C  C518  1  0.081619  0.062556  0.329698  1
  C  C519  1  0.508909  0.919394  0.286595  1
  C  C520  1  0.462649  0.074453  0.307520  1
  C  C521  1  0.414953  0.229223  0.329698  1
  C  C522  1  0.748286  0.895889  0.329698  1
  C  C523  1  0.033067  0.716505  0.350000  1
  C  C524  1  0.699734  0.549838  0.350000  1
  C  C525  1  0.652678  0.704601  0.370824  1
  C  C526  1  0.033067  0.216505  0.350000  1
  C  C527  1  0.986011  0.371267  0.370824  1
  C  C528  1  0.938378  0.526478  0.391569  1
  C  C529  1  0.366400  0.383171  0.350000  1
  C  C530  1  0.319344  0.537934  0.370824  1
  C  C531  1  0.271712  0.693145  0.391569  1
  C  C532  1  0.699734  0.049838  0.350000  1
  C  C533  1  0.652678  0.204601  0.370824  1
  C  C534  1  0.605045  0.359811  0.391569  1
  C  C535  1  0.986011  0.871267  0.370824  1
  C  C536  1  0.938378  0.026478  0.391569  1
  C  C537  1  0.366400  0.883171  0.350000  1
  C  C538  1  0.319344  0.037934  0.370824  1
  C  C539  1  0.271712  0.193145  0.391569  1
  C  C540  1  0.605045  0.859811  0.391569  1
  C  C541  1  0.890180  0.681194  0.412399  1
  C  C542  1  0.556847  0.514527  0.412399  1
  C  C543  1  0.509618  0.669193  0.433390  1
  C  C544  1  0.890180  0.181194  0.412399  1
  C  C545  1  0.842951  0.335859  0.433390  1
  C  C546  1  0.795389  0.490717  0.454203  1
  C  C547  1  0.223514  0.347861  0.412399  1
  C  C548  1  0.176285  0.502526  0.433390  1
  C  C549  1  0.128723  0.657384  0.454203  1
  C  C550  1  0.556847  0.014527  0.412399  1
  C  C551  1  0.509618  0.169193  0.433390  1
  C  C552  1  0.462056  0.324050  0.454203  1
  C  C553  1  0.842951  0.835859  0.433390  1
  C  C554  1  0.795389  0.990717  0.454203  1
  C  C555  1  0.223514  0.847861  0.412399  1
  C  C556  1  0.176285  0.002526  0.433390  1
  C  C557  1  0.128723  0.157384  0.454203  1
  C  C558  1  0.462056  0.824050  0.454203  1
  C  C559  1  0.747727  0.645429  0.475035  1
  C  C560  1  0.414393  0.478762  0.475035  1
  C  C561  1  0.366799  0.633578  0.495900  1
  C  C562  1  0.747727  0.145429  0.475035  1
  C  C563  1  0.700132  0.300245  0.495900  1
  C  C564  1  0.652448  0.455033  0.516741  1
  C  C565  1  0.081060  0.312096  0.475035  1
  C  C566  1  0.033465  0.466911  0.495900  1
  C  C567  1  0.985781  0.621700  0.516741  1
  C  C568  1  0.414393  0.978762  0.475035  1
  C  C569  1  0.366799  0.133578  0.495900  1
  C  C570  1  0.319115  0.288366  0.516741  1
  C  C571  1  0.700132  0.800245  0.495900  1
  C  C572  1  0.652448  0.955033  0.516741  1
  C  C573  1  0.081060  0.812096  0.475035  1
  C  C574  1  0.033465  0.966911  0.495900  1
  C  C575  1  0.985781  0.121700  0.516741  1
  C  C576  1  0.319115  0.788366  0.516741  1
  C  C577  1  0.604804  0.609780  0.537563  1
  C  C578  1  0.271471  0.443114  0.537563  1
  C  C579  1  0.223969  0.597851  0.558402  1
  C  C580  1  0.604804  0.109780  0.537563  1
  C  C581  1  0.557303  0.264517  0.558402  1
  C  C582  1  0.509715  0.419170  0.579270  1
  C  C583  1  0.938137  0.276447  0.537563  1
  C  C584  1  0.890636  0.431184  0.558402  1
  C  C585  1  0.843048  0.585837  0.579270  1
  C  C586  1  0.271471  0.943114  0.537563  1
  C  C587  1  0.223969  0.097851  0.558402  1
  C  C588  1  0.176381  0.252503  0.579270  1
  C  C589  1  0.557303  0.764517  0.558402  1
  C  C590  1  0.509715  0.919170  0.579270  1
  C  C591  1  0.938137  0.776447  0.537563  1
  C  C592  1  0.890636  0.931184  0.558402  1
  C  C593  1  0.843048  0.085837  0.579270  1
  C  C594  1  0.176381  0.752503  0.579270  1
  C  C595  1  0.462027  0.573968  0.600302  1
  C  C596  1  0.128694  0.407302  0.600302  1
  C  C597  1  0.081069  0.562061  0.621111  1
  C  C598  1  0.462027  0.073968  0.600302  1
  C  C599  1  0.414402  0.228728  0.621111  1
  C  C600  1  0.366610  0.383515  0.641567  1
  C  C601  1  0.795360  0.240635  0.600302  1
  C  C602  1  0.747735  0.395395  0.621111  1
  C  C603  1  0.699944  0.550182  0.641567  1
  C  C604  1  0.128694  0.907302  0.600302  1
  C  C605  1  0.081069  0.062061  0.621111  1
  C  C606  1  0.033277  0.216849  0.641567  1
  C  C607  1  0.414402  0.728728  0.621111  1
  C  C608  1  0.366610  0.883515  0.641567  1
  C  C609  1  0.795360  0.740635  0.600302  1
  C  C610  1  0.747735  0.895395  0.621111  1
  C  C611  1  0.699944  0.050182  0.641567  1
  C  C612  1  0.033277  0.716849  0.641567  1
  C  C613  1  0.318561  0.537794  0.662326  1
  C  C614  1  0.985228  0.371127  0.662326  1
  C  C615  1  0.939326  0.526923  0.683565  1
  C  C616  1  0.318561  0.037794  0.662326  1
  C  C617  1  0.272660  0.193590  0.683565  1
  C  C618  1  0.224291  0.346833  0.705059  1
  C  C619  1  0.651895  0.204460  0.662326  1
  C  C620  1  0.605993  0.360257  0.683565  1
  C  C621  1  0.557625  0.513500  0.705059  1
  C  C622  1  0.985228  0.871127  0.662326  1
  C  C623  1  0.939326  0.026923  0.683565  1
  C  C624  1  0.890958  0.180166  0.705059  1
  C  C625  1  0.272660  0.693590  0.683565  1
  C  C626  1  0.224291  0.846833  0.705059  1
  C  C627  1  0.651895  0.704460  0.662326  1
  C  C628  1  0.605993  0.860257  0.683565  1
  C  C629  1  0.557625  0.013500  0.705059  1
  C  C630  1  0.890958  0.680166  0.705059  1
