# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.50632614
_cell_length_b   19.67610130
_cell_length_c   48.60717918
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.41043536
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe540 C216'
_cell_volume   13238.2286129
_cell_formula_units_Z   108
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  0.524797  0.031153  0.301668  1
  Fe  Fe2  1  0.209721  0.986807  0.328075  1
  Fe  Fe3  1  0.191464  0.697819  0.301668  1
  Fe  Fe4  1  0.876388  0.653474  0.328075  1
  Fe  Fe5  1  0.858131  0.364486  0.301668  1
  Fe  Fe6  1  0.839489  0.076179  0.275976  1
  Fe  Fe7  1  0.543055  0.320140  0.328075  1
  Fe  Fe8  1  0.506156  0.742846  0.275976  1
  Fe  Fe9  1  0.172822  0.409512  0.275976  1
  Fe  Fe10  1  0.232113  0.928883  0.286702  1
  Fe  Fe11  1  0.916747  0.884487  0.313023  1
  Fe  Fe12  1  0.898780  0.595550  0.286702  1
  Fe  Fe13  1  0.583414  0.551153  0.313023  1
  Fe  Fe14  1  0.565447  0.262216  0.286702  1
  Fe  Fe15  1  0.603170  0.840442  0.339024  1
  Fe  Fe16  1  0.250080  0.217820  0.313023  1
  Fe  Fe17  1  0.269837  0.507109  0.339024  1
  Fe  Fe18  1  0.936504  0.173775  0.339024  1
  Fe  Fe19  1  0.287581  0.145539  0.280526  1
  Fe  Fe20  1  0.974757  0.101951  0.307277  1
  Fe  Fe21  1  0.954248  0.812206  0.280526  1
  Fe  Fe22  1  0.641424  0.768618  0.307277  1
  Fe  Fe23  1  0.620914  0.478873  0.280526  1
  Fe  Fe24  1  0.659438  0.057826  0.332686  1
  Fe  Fe25  1  0.308091  0.435284  0.307277  1
  Fe  Fe26  1  0.326105  0.724492  0.332686  1
  Fe  Fe27  1  0.992772  0.391159  0.332686  1
  Fe  Fe28  1  0.461324  0.139169  0.285189  1
  Fe  Fe29  1  0.143436  0.093583  0.311774  1
  Fe  Fe30  1  0.127990  0.805836  0.285189  1
  Fe  Fe31  1  0.810103  0.760249  0.311774  1
  Fe  Fe32  1  0.794657  0.472502  0.285189  1
  Fe  Fe33  1  0.829326  0.050904  0.336765  1
  Fe  Fe34  1  0.476769  0.426916  0.311774  1
  Fe  Fe35  1  0.495993  0.717571  0.336765  1
  Fe  Fe36  1  0.162659  0.384238  0.336765  1
  Fe  Fe37  1  0.300140  0.822908  0.304538  1
  Fe  Fe38  1  0.983520  0.777856  0.329590  1
  Fe  Fe39  1  0.966807  0.489575  0.304538  1
  Fe  Fe40  1  0.650187  0.444523  0.329590  1
  Fe  Fe41  1  0.633473  0.156241  0.304538  1
  Fe  Fe42  1  0.614908  0.865839  0.278340  1
  Fe  Fe43  1  0.316854  0.111189  0.329590  1
  Fe  Fe44  1  0.281575  0.532506  0.278340  1
  Fe  Fe45  1  0.948242  0.199173  0.278340  1
  Fe  Fe46  1  0.361177  0.032082  0.302857  1
  Fe  Fe47  1  0.042276  0.983572  0.329122  1
  Fe  Fe48  1  0.027844  0.698749  0.302857  1
  Fe  Fe49  1  0.708943  0.650238  0.329122  1
  Fe  Fe50  1  0.694511  0.365415  0.302857  1
  Fe  Fe51  1  0.664359  0.057314  0.276167  1
  Fe  Fe52  1  0.375609  0.316905  0.329122  1
  Fe  Fe53  1  0.331026  0.723980  0.276167  1
  Fe  Fe54  1  0.997692  0.390647  0.276167  1
  Fe  Fe55  1  0.487444  0.921149  0.329222  1
  Fe  Fe56  1  0.119807  0.009066  0.278408  1
  Fe  Fe57  1  0.154110  0.587815  0.329222  1
  Fe  Fe58  1  0.786474  0.675733  0.278408  1
  Fe  Fe59  1  0.820777  0.254482  0.329222  1
  Fe  Fe60  1  0.800414  0.965352  0.304517  1
  Fe  Fe61  1  0.453141  0.342400  0.278408  1
  Fe  Fe62  1  0.467081  0.632018  0.304517  1
  Fe  Fe63  1  0.133747  0.298685  0.304517  1
  Fe  Fe64  1  0.400423  0.930075  0.286113  1
  Fe  Fe65  1  0.084201  0.888218  0.312680  1
  Fe  Fe66  1  0.067090  0.596741  0.286113  1
  Fe  Fe67  1  0.750868  0.554885  0.312680  1
  Fe  Fe68  1  0.733756  0.263408  0.286113  1
  Fe  Fe69  1  0.768143  0.842353  0.337880  1
  Fe  Fe70  1  0.417534  0.221552  0.312680  1
  Fe  Fe71  1  0.434810  0.509020  0.337880  1
  Fe  Fe72  1  0.101476  0.175687  0.337880  1
  Fe  Fe73  1  0.466614  0.815345  0.308391  1
  Fe  Fe74  1  0.152507  0.770728  0.333898  1
  Fe  Fe75  1  0.133281  0.482012  0.308391  1
  Fe  Fe76  1  0.819174  0.437394  0.333898  1
  Fe  Fe77  1  0.799947  0.148678  0.308391  1
  Fe  Fe78  1  0.782234  0.856384  0.282905  1
  Fe  Fe79  1  0.485840  0.104061  0.333898  1
  Fe  Fe80  1  0.448901  0.523051  0.282905  1
  Fe  Fe81  1  0.115568  0.189718  0.282905  1
  Fe  Fe82  1  0.324969  0.907669  0.337319  1
  Fe  Fe83  1  0.954952  0.994701  0.286171  1
  Fe  Fe84  1  0.991636  0.574336  0.337319  1
  Fe  Fe85  1  0.621618  0.661368  0.286171  1
  Fe  Fe86  1  0.658302  0.241003  0.337319  1
  Fe  Fe87  1  0.641806  0.952117  0.311921  1
  Fe  Fe88  1  0.288285  0.328035  0.286171  1
  Fe  Fe89  1  0.308472  0.618784  0.311921  1
  Fe  Fe90  1  0.975139  0.285451  0.311921  1
  Fe  Fe91  1  0.577675  0.897264  0.379002  1
  Fe  Fe92  1  0.262435  0.852045  0.404748  1
  Fe  Fe93  1  0.244342  0.563931  0.379002  1
  Fe  Fe94  1  0.929102  0.518711  0.404748  1
  Fe  Fe95  1  0.911009  0.230597  0.379002  1
  Fe  Fe96  1  0.893579  0.941807  0.353518  1
  Fe  Fe97  1  0.595768  0.185378  0.404748  1
  Fe  Fe98  1  0.560245  0.608474  0.353518  1
  Fe  Fe99  1  0.226912  0.275141  0.353518  1
  Fe  Fe100  1  0.286374  0.795325  0.364618  1
  Fe  Fe101  1  0.970828  0.749692  0.390062  1
  Fe  Fe102  1  0.953041  0.461992  0.364618  1
  Fe  Fe103  1  0.637494  0.416359  0.390062  1
  Fe  Fe104  1  0.619708  0.128659  0.364618  1
  Fe  Fe105  1  0.655052  0.704660  0.415833  1
  Fe  Fe106  1  0.304161  0.083025  0.390062  1
  Fe  Fe107  1  0.321718  0.371326  0.415833  1
  Fe  Fe108  1  0.988385  0.037993  0.415833  1
  Fe  Fe109  1  0.344670  0.012135  0.358356  1
  Fe  Fe110  1  0.028015  0.966925  0.384218  1
  Fe  Fe111  1  0.011337  0.678802  0.358356  1
  Fe  Fe112  1  0.694681  0.633592  0.384218  1
  Fe  Fe113  1  0.678004  0.345469  0.358356  1
  Fe  Fe114  1  0.712574  0.921875  0.409803  1
  Fe  Fe115  1  0.361348  0.300259  0.384218  1
  Fe  Fe116  1  0.379240  0.588541  0.409803  1
  Fe  Fe117  1  0.045907  0.255208  0.409803  1
  Fe  Fe118  1  0.512892  0.005522  0.362226  1
  Fe  Fe119  1  0.197469  0.959673  0.388413  1
  Fe  Fe120  1  0.179559  0.672188  0.362226  1
  Fe  Fe121  1  0.864135  0.626340  0.388413  1
  Fe  Fe122  1  0.846226  0.338855  0.362226  1
  Fe  Fe123  1  0.881670  0.914692  0.413798  1
  Fe  Fe124  1  0.530802  0.293006  0.388413  1
  Fe  Fe125  1  0.548337  0.581359  0.413798  1
  Fe  Fe126  1  0.215003  0.248025  0.413798  1
  Fe  Fe127  1  0.351514  0.687231  0.381124  1
  Fe  Fe128  1  0.035630  0.641958  0.406743  1
  Fe  Fe129  1  0.018181  0.353897  0.381124  1
  Fe  Fe130  1  0.702296  0.308625  0.406743  1
  Fe  Fe131  1  0.684847  0.020564  0.381124  1
  Fe  Fe132  1  0.667070  0.731857  0.355409  1
  Fe  Fe133  1  0.368963  0.975292  0.406743  1
  Fe  Fe134  1  0.333737  0.398524  0.355409  1
  Fe  Fe135  1  0.000403  0.065191  0.355409  1
  Fe  Fe136  1  0.413018  0.895825  0.380328  1
  Fe  Fe137  1  0.096445  0.849395  0.405777  1
  Fe  Fe138  1  0.079685  0.562492  0.380328  1
  Fe  Fe139  1  0.763111  0.516062  0.405777  1
  Fe  Fe140  1  0.746351  0.229159  0.380328  1
  Fe  Fe141  1  0.728052  0.940005  0.354515  1
  Fe  Fe142  1  0.429778  0.182728  0.405777  1
  Fe  Fe143  1  0.394718  0.606672  0.354515  1
  Fe  Fe144  1  0.061385  0.273339  0.354515  1
  Fe  Fe145  1  0.539553  0.785126  0.406287  1
  Fe  Fe146  1  0.171289  0.875623  0.354699  1
  Fe  Fe147  1  0.206220  0.451792  0.406287  1
  Fe  Fe148  1  0.837955  0.542289  0.354699  1
  Fe  Fe149  1  0.872887  0.118459  0.406287  1
  Fe  Fe150  1  0.855077  0.830224  0.380528  1
  Fe  Fe151  1  0.504622  0.208956  0.354699  1
  Fe  Fe152  1  0.521744  0.496891  0.380528  1
  Fe  Fe153  1  0.188410  0.163557  0.380528  1
  Fe  Fe154  1  0.452394  0.797057  0.363782  1
  Fe  Fe155  1  0.136406  0.752300  0.389083  1
  Fe  Fe156  1  0.119061  0.463724  0.363782  1
  Fe  Fe157  1  0.803072  0.418967  0.389083  1
  Fe  Fe158  1  0.785728  0.130390  0.363782  1
  Fe  Fe159  1  0.820748  0.707069  0.414773  1
  Fe  Fe160  1  0.469739  0.085634  0.389083  1
  Fe  Fe161  1  0.487415  0.373735  0.414773  1
  Fe  Fe162  1  0.154082  0.040402  0.414773  1
  Fe  Fe163  1  0.520251  0.679919  0.385134  1
  Fe  Fe164  1  0.204835  0.634781  0.410834  1
  Fe  Fe165  1  0.186918  0.346586  0.385134  1
  Fe  Fe166  1  0.871502  0.301448  0.410834  1
  Fe  Fe167  1  0.853584  0.013253  0.385134  1
  Fe  Fe168  1  0.836311  0.724921  0.359628  1
  Fe  Fe169  1  0.538168  0.968115  0.410834  1
  Fe  Fe170  1  0.502978  0.391587  0.359628  1
  Fe  Fe171  1  0.169644  0.058254  0.359628  1
  Fe  Fe172  1  0.377935  0.771540  0.414269  1
  Fe  Fe173  1  0.009261  0.861828  0.363009  1
  Fe  Fe174  1  0.044602  0.438206  0.414269  1
  Fe  Fe175  1  0.675927  0.528495  0.363009  1
  Fe  Fe176  1  0.711269  0.104873  0.414269  1
  Fe  Fe177  1  0.693696  0.816671  0.388663  1
  Fe  Fe178  1  0.342594  0.195162  0.363009  1
  Fe  Fe179  1  0.360363  0.483338  0.388663  1
  Fe  Fe180  1  0.027030  0.150004  0.388663  1
  Fe  Fe181  1  0.630832  0.761602  0.456040  1
  Fe  Fe182  1  0.315158  0.716486  0.481672  1
  Fe  Fe183  1  0.297499  0.428268  0.456040  1
  Fe  Fe184  1  0.981824  0.383153  0.481672  1
  Fe  Fe185  1  0.964165  0.094935  0.456040  1
  Fe  Fe186  1  0.946628  0.806740  0.430457  1
  Fe  Fe187  1  0.648491  0.049819  0.481672  1
  Fe  Fe188  1  0.613295  0.473407  0.430457  1
  Fe  Fe189  1  0.279961  0.140074  0.430457  1
  Fe  Fe190  1  0.339296  0.659527  0.441441  1
  Fe  Fe191  1  0.023587  0.614356  0.467042  1
  Fe  Fe192  1  0.005963  0.326193  0.441441  1
  Fe  Fe193  1  0.690254  0.281022  0.467042  1
  Fe  Fe194  1  0.672629  0.992860  0.441441  1
  Fe  Fe195  1  0.707838  0.569117  0.492682  1
  Fe  Fe196  1  0.356920  0.947689  0.467042  1
  Fe  Fe197  1  0.374505  0.235784  0.492682  1
  Fe  Fe198  1  0.041171  0.902451  0.492682  1
  Fe  Fe199  1  0.397068  0.876684  0.435408  1
  Fe  Fe200  1  0.081289  0.831464  0.461030  1
  Fe  Fe201  1  0.063734  0.543350  0.435408  1
  Fe  Fe202  1  0.747956  0.498130  0.461030  1
  Fe  Fe203  1  0.730401  0.210017  0.435408  1
  Fe  Fe204  1  0.765438  0.786275  0.486703  1
  Fe  Fe205  1  0.414622  0.164797  0.461030  1
  Fe  Fe206  1  0.432104  0.452942  0.486703  1
  Fe  Fe207  1  0.098771  0.119609  0.486703  1
  Fe  Fe208  1  0.566070  0.869604  0.439515  1
  Fe  Fe209  1  0.250339  0.824443  0.465098  1
  Fe  Fe210  1  0.232737  0.536271  0.439515  1
  Fe  Fe211  1  0.917006  0.491110  0.465098  1
  Fe  Fe212  1  0.899404  0.202937  0.439515  1
  Fe  Fe213  1  0.934540  0.779210  0.490749  1
  Fe  Fe214  1  0.583673  0.157776  0.465098  1
  Fe  Fe215  1  0.601206  0.445877  0.490749  1
  Fe  Fe216  1  0.267873  0.112544  0.490749  1
  Fe  Fe217  1  0.404091  0.551496  0.458013  1
  Fe  Fe218  1  0.088397  0.506362  0.483630  1
  Fe  Fe219  1  0.070758  0.218163  0.458013  1
  Fe  Fe220  1  0.755064  0.173029  0.483630  1
  Fe  Fe221  1  0.737425  0.884830  0.458013  1
  Fe  Fe222  1  0.719851  0.596656  0.432353  1
  Fe  Fe223  1  0.421731  0.839695  0.483630  1
  Fe  Fe224  1  0.386518  0.263323  0.432353  1
  Fe  Fe225  1  0.053185  0.929990  0.432353  1
  Fe  Fe226  1  0.465162  0.759298  0.457087  1
  Fe  Fe227  1  0.149464  0.714145  0.482698  1
  Fe  Fe228  1  0.131829  0.425965  0.457087  1
  Fe  Fe229  1  0.816131  0.380812  0.482698  1
  Fe  Fe230  1  0.798496  0.092631  0.457087  1
  Fe  Fe231  1  0.780791  0.804364  0.431452  1
  Fe  Fe232  1  0.482797  0.047479  0.482698  1
  Fe  Fe233  1  0.447458  0.471030  0.431452  1
  Fe  Fe234  1  0.114125  0.137697  0.431452  1
  Fe  Fe235  1  0.592225  0.649544  0.483203  1
  Fe  Fe236  1  0.223776  0.739970  0.431869  1
  Fe  Fe237  1  0.258892  0.316210  0.483203  1
  Fe  Fe238  1  0.890442  0.406637  0.431869  1
  Fe  Fe239  1  0.925559  0.982877  0.483203  1
  Fe  Fe240  1  0.908003  0.694746  0.457556  1
  Fe  Fe241  1  0.557109  0.073303  0.431869  1
  Fe  Fe242  1  0.574670  0.361413  0.457556  1
  Fe  Fe243  1  0.241337  0.028079  0.457556  1
  Fe  Fe244  1  0.505017  0.661779  0.440434  1
  Fe  Fe245  1  0.189314  0.616712  0.466036  1
  Fe  Fe246  1  0.171683  0.328445  0.440434  1
  Fe  Fe247  1  0.855980  0.283379  0.466036  1
  Fe  Fe248  1  0.838350  0.995112  0.440434  1
  Fe  Fe249  1  0.873573  0.571545  0.491664  1
  Fe  Fe250  1  0.522647  0.950046  0.466036  1
  Fe  Fe251  1  0.540239  0.238212  0.491664  1
  Fe  Fe252  1  0.206906  0.904878  0.491664  1
  Fe  Fe253  1  0.573179  0.544385  0.462074  1
  Fe  Fe254  1  0.257487  0.499292  0.487694  1
  Fe  Fe255  1  0.239845  0.211051  0.462074  1
  Fe  Fe256  1  0.924154  0.165958  0.487694  1
  Fe  Fe257  1  0.906512  0.877718  0.462074  1
  Fe  Fe258  1  0.889024  0.589735  0.436415  1
  Fe  Fe259  1  0.590820  0.832625  0.487694  1
  Fe  Fe260  1  0.555690  0.256401  0.436415  1
  Fe  Fe261  1  0.222357  0.923068  0.436415  1
  Fe  Fe262  1  0.430740  0.636019  0.491175  1
  Fe  Fe263  1  0.062242  0.726434  0.439924  1
  Fe  Fe264  1  0.097407  0.302686  0.491175  1
  Fe  Fe265  1  0.728909  0.393101  0.439924  1
  Fe  Fe266  1  0.764073  0.969353  0.491175  1
  Fe  Fe267  1  0.746409  0.681167  0.465562  1
  Fe  Fe268  1  0.395576  0.059768  0.439924  1
  Fe  Fe269  1  0.413076  0.347834  0.465562  1
  Fe  Fe270  1  0.079743  0.014501  0.465562  1
  Fe  Fe271  1  0.683650  0.626067  0.532968  1
  Fe  Fe272  1  0.367941  0.580896  0.558569  1
  Fe  Fe273  1  0.350316  0.292734  0.532968  1
  Fe  Fe274  1  0.034607  0.247563  0.558569  1
  Fe  Fe275  1  0.016983  0.959401  0.532968  1
  Fe  Fe276  1  0.999399  0.671305  0.507328  1
  Fe  Fe277  1  0.701274  0.914229  0.558569  1
  Fe  Fe278  1  0.666065  0.337972  0.507328  1
  Fe  Fe279  1  0.332732  0.004639  0.507328  1
  Fe  Fe280  1  0.392079  0.523937  0.518338  1
  Fe  Fe281  1  0.076405  0.478821  0.543970  1
  Fe  Fe282  1  0.058746  0.190604  0.518338  1
  Fe  Fe283  1  0.743071  0.145488  0.543970  1
  Fe  Fe284  1  0.725412  0.857270  0.518338  1
  Fe  Fe285  1  0.760609  0.433683  0.569553  1
  Fe  Fe286  1  0.409738  0.812155  0.543970  1
  Fe  Fe287  1  0.427276  0.100349  0.569553  1
  Fe  Fe288  1  0.093942  0.767016  0.569553  1
  Fe  Fe289  1  0.449750  0.741131  0.512316  1
  Fe  Fe290  1  0.134058  0.696038  0.537936  1
  Fe  Fe291  1  0.116416  0.407798  0.512316  1
  Fe  Fe292  1  0.800725  0.362705  0.537936  1
  Fe  Fe293  1  0.783083  0.074464  0.512316  1
  Fe  Fe294  1  0.818213  0.650688  0.563595  1
  Fe  Fe295  1  0.467391  0.029371  0.537936  1
  Fe  Fe296  1  0.484880  0.317355  0.563595  1
  Fe  Fe297  1  0.151546  0.984021  0.563595  1
  Fe  Fe298  1  0.618839  0.734061  0.516380  1
  Fe  Fe299  1  0.303145  0.688926  0.541997  1
  Fe  Fe300  1  0.285506  0.400727  0.516380  1
  Fe  Fe301  1  0.969812  0.355593  0.541997  1
  Fe  Fe302  1  0.952173  0.067394  0.516380  1
  Fe  Fe303  1  0.987386  0.643767  0.567657  1
  Fe  Fe304  1  0.636479  0.022260  0.541997  1
  Fe  Fe305  1  0.654052  0.310433  0.567657  1
  Fe  Fe306  1  0.320719  0.977100  0.567657  1
  Fe  Fe307  1  0.456897  0.415980  0.534912  1
  Fe  Fe308  1  0.141166  0.370819  0.560495  1
  Fe  Fe309  1  0.123564  0.082646  0.534912  1
  Fe  Fe310  1  0.807833  0.037485  0.560495  1
  Fe  Fe311  1  0.790231  0.749313  0.534912  1
  Fe  Fe312  1  0.772697  0.461213  0.509261  1
  Fe  Fe313  1  0.474500  0.704152  0.560495  1
  Fe  Fe314  1  0.439364  0.127879  0.509261  1
  Fe  Fe315  1  0.106030  0.794546  0.509261  1
  Fe  Fe316  1  0.517923  0.623710  0.533974  1
  Fe  Fe317  1  0.202220  0.578644  0.559576  1
  Fe  Fe318  1  0.184590  0.290377  0.533974  1
  Fe  Fe319  1  0.868887  0.245311  0.559576  1
  Fe  Fe320  1  0.851256  0.957044  0.533974  1
  Fe  Fe321  1  0.833664  0.668878  0.508346  1
  Fe  Fe322  1  0.535553  0.911978  0.559576  1
  Fe  Fe323  1  0.500331  0.335544  0.508346  1
  Fe  Fe324  1  0.166997  0.002211  0.508346  1
  Fe  Fe325  1  0.644994  0.513988  0.560086  1
  Fe  Fe326  1  0.276497  0.604404  0.508835  1
  Fe  Fe327  1  0.311661  0.180655  0.560086  1
  Fe  Fe328  1  0.943163  0.271070  0.508835  1
  Fe  Fe329  1  0.978328  0.847322  0.560086  1
  Fe  Fe330  1  0.960828  0.559255  0.534448  1
  Fe  Fe331  1  0.609830  0.937737  0.508835  1
  Fe  Fe332  1  0.627494  0.225922  0.534448  1
  Fe  Fe333  1  0.294161  0.892589  0.534448  1
  Fe  Fe334  1  0.557773  0.526277  0.517312  1
  Fe  Fe335  1  0.242074  0.481125  0.542924  1
  Fe  Fe336  1  0.224439  0.192944  0.517312  1
  Fe  Fe337  1  0.908741  0.147792  0.542924  1
  Fe  Fe338  1  0.891106  0.859611  0.517312  1
  Fe  Fe339  1  0.926445  0.436059  0.568559  1
  Fe  Fe340  1  0.575408  0.814458  0.542924  1
  Fe  Fe341  1  0.593112  0.102726  0.568559  1
  Fe  Fe342  1  0.259779  0.769392  0.568559  1
  Fe  Fe343  1  0.625948  0.408959  0.538981  1
  Fe  Fe344  1  0.310169  0.363739  0.564602  1
  Fe  Fe345  1  0.292614  0.075626  0.538981  1
  Fe  Fe346  1  0.976836  0.030406  0.564602  1
  Fe  Fe347  1  0.959281  0.742292  0.538981  1
  Fe  Fe348  1  0.941799  0.454148  0.513307  1
  Fe  Fe349  1  0.643502  0.697072  0.564602  1
  Fe  Fe350  1  0.608466  0.120814  0.513307  1
  Fe  Fe351  1  0.275132  0.787481  0.513307  1
  Fe  Fe352  1  0.483461  0.500453  0.568141  1
  Fe  Fe353  1  0.115011  0.590879  0.516807  1
  Fe  Fe354  1  0.150128  0.167119  0.568141  1
  Fe  Fe355  1  0.781678  0.257546  0.516807  1
  Fe  Fe356  1  0.816794  0.833786  0.568141  1
  Fe  Fe357  1  0.799234  0.545677  0.542454  1
  Fe  Fe358  1  0.448345  0.924212  0.516807  1
  Fe  Fe359  1  0.465900  0.212343  0.542454  1
  Fe  Fe360  1  0.132567  0.879010  0.542454  1
  Fe  Fe361  1  0.736409  0.490731  0.609948  1
  Fe  Fe362  1  0.420863  0.445097  0.635393  1
  Fe  Fe363  1  0.403076  0.157398  0.609948  1
  Fe  Fe364  1  0.087529  0.111764  0.635393  1
  Fe  Fe365  1  0.069742  0.824064  0.609948  1
  Fe  Fe366  1  0.052185  0.535763  0.584177  1
  Fe  Fe367  1  0.754196  0.778431  0.635393  1
  Fe  Fe368  1  0.718852  0.202430  0.584177  1
  Fe  Fe369  1  0.385518  0.869096  0.584177  1
  Fe  Fe370  1  0.444802  0.388378  0.595262  1
  Fe  Fe371  1  0.129561  0.343159  0.621008  1
  Fe  Fe372  1  0.111468  0.055045  0.595262  1
  Fe  Fe373  1  0.796228  0.009826  0.621008  1
  Fe  Fe374  1  0.778135  0.721712  0.595262  1
  Fe  Fe375  1  0.813658  0.298615  0.646492  1
  Fe  Fe376  1  0.462895  0.676492  0.621008  1
  Fe  Fe377  1  0.480325  0.965282  0.646492  1
  Fe  Fe378  1  0.146991  0.631949  0.646492  1
  Fe  Fe379  1  0.502402  0.605642  0.589176  1
  Fe  Fe380  1  0.186986  0.560503  0.614876  1
  Fe  Fe381  1  0.169068  0.272308  0.589176  1
  Fe  Fe382  1  0.853652  0.227170  0.614876  1
  Fe  Fe383  1  0.835735  0.938975  0.589176  1
  Fe  Fe384  1  0.870926  0.515502  0.640382  1
  Fe  Fe385  1  0.520319  0.893837  0.614876  1
  Fe  Fe386  1  0.537592  0.182169  0.640382  1
  Fe  Fe387  1  0.204259  0.848835  0.640382  1
  Fe  Fe388  1  0.671607  0.598464  0.593267  1
  Fe  Fe389  1  0.355723  0.553192  0.618886  1
  Fe  Fe390  1  0.338274  0.265131  0.593267  1
  Fe  Fe391  1  0.022389  0.219859  0.618886  1
  Fe  Fe392  1  0.004940  0.931798  0.593267  1
  Fe  Fe393  1  0.040167  0.508565  0.644602  1
  Fe  Fe394  1  0.689056  0.886526  0.618886  1
  Fe  Fe395  1  0.706833  0.175232  0.644602  1
  Fe  Fe396  1  0.373500  0.841899  0.644602  1
  Fe  Fe397  1  0.509768  0.280750  0.611597  1
  Fe  Fe398  1  0.194344  0.234901  0.637784  1
  Fe  Fe399  1  0.176435  0.947416  0.611597  1
  Fe  Fe400  1  0.861011  0.901568  0.637784  1
  Fe  Fe401  1  0.843101  0.614083  0.611597  1
  Fe  Fe402  1  0.825567  0.325731  0.586212  1
  Fe  Fe403  1  0.527678  0.568234  0.637784  1
  Fe  Fe404  1  0.492233  0.992397  0.586212  1
  Fe  Fe405  1  0.158900  0.659064  0.586212  1
  Fe  Fe406  1  0.570831  0.488123  0.610927  1
  Fe  Fe407  1  0.254842  0.443366  0.636228  1
  Fe  Fe408  1  0.237498  0.154789  0.610927  1
  Fe  Fe409  1  0.921509  0.110033  0.636228  1
  Fe  Fe410  1  0.904164  0.821456  0.610927  1
  Fe  Fe411  1  0.886488  0.533354  0.585238  1
  Fe  Fe412  1  0.588176  0.776699  0.636228  1
  Fe  Fe413  1  0.553155  0.200021  0.585238  1
  Fe  Fe414  1  0.219822  0.866688  0.585238  1
  Fe  Fe415  1  0.697976  0.378594  0.637001  1
  Fe  Fe416  1  0.329301  0.468883  0.585741  1
  Fe  Fe417  1  0.364643  0.045261  0.637001  1
  Fe  Fe418  1  0.995968  0.135550  0.585741  1
  Fe  Fe419  1  0.031309  0.711928  0.637001  1
  Fe  Fe420  1  0.013540  0.423752  0.611347  1
  Fe  Fe421  1  0.662635  0.802216  0.585741  1
  Fe  Fe422  1  0.680207  0.090419  0.611347  1
  Fe  Fe423  1  0.346874  0.757085  0.611347  1
  Fe  Fe424  1  0.610792  0.391028  0.594234  1
  Fe  Fe425  1  0.294219  0.344597  0.619682  1
  Fe  Fe426  1  0.277459  0.057694  0.594234  1
  Fe  Fe427  1  0.960885  0.011264  0.619682  1
  Fe  Fe428  1  0.944125  0.724361  0.594234  1
  Fe  Fe429  1  0.979185  0.300418  0.645495  1
  Fe  Fe430  1  0.627552  0.677931  0.619682  1
  Fe  Fe431  1  0.645852  0.967084  0.645495  1
  Fe  Fe432  1  0.312518  0.633751  0.645495  1
  Fe  Fe433  1  0.679222  0.273497  0.615793  1
  Fe  Fe434  1  0.362566  0.228287  0.641655  1
  Fe  Fe435  1  0.345889  0.940164  0.615793  1
  Fe  Fe436  1  0.029233  0.894954  0.641655  1
  Fe  Fe437  1  0.012555  0.606831  0.615793  1
  Fe  Fe438  1  0.994663  0.318548  0.590208  1
  Fe  Fe439  1  0.695900  0.561621  0.641655  1
  Fe  Fe440  1  0.661330  0.985215  0.590208  1
  Fe  Fe441  1  0.327996  0.651882  0.590208  1
  Fe  Fe442  1  0.535948  0.364800  0.645312  1
  Fe  Fe443  1  0.167683  0.455297  0.593723  1
  Fe  Fe444  1  0.202615  0.031467  0.645312  1
  Fe  Fe445  1  0.834350  0.121964  0.593723  1
  Fe  Fe446  1  0.869281  0.698133  0.645312  1
  Fe  Fe447  1  0.852160  0.410199  0.619482  1
  Fe  Fe448  1  0.501017  0.788630  0.593723  1
  Fe  Fe449  1  0.518826  0.076865  0.619482  1
  Fe  Fe450  1  0.185493  0.743532  0.619482  1
  Fe  Fe451  1  0.790490  0.355936  0.686987  1
  Fe  Fe452  1  0.475123  0.311540  0.713308  1
  Fe  Fe453  1  0.457156  0.022603  0.686987  1
  Fe  Fe454  1  0.141790  0.978207  0.713308  1
  Fe  Fe455  1  0.123823  0.689269  0.686987  1
  Fe  Fe456  1  0.104066  0.399981  0.660986  1
  Fe  Fe457  1  0.808457  0.644873  0.713308  1
  Fe  Fe458  1  0.770733  0.066647  0.660986  1
  Fe  Fe459  1  0.437400  0.733314  0.660986  1
  Fe  Fe460  1  0.497515  0.253616  0.671935  1
  Fe  Fe461  1  0.182440  0.209270  0.698342  1
  Fe  Fe462  1  0.164182  0.920282  0.671935  1
  Fe  Fe463  1  0.849106  0.875937  0.698342  1
  Fe  Fe464  1  0.830849  0.586949  0.671935  1
  Fe  Fe465  1  0.867748  0.164244  0.724034  1
  Fe  Fe466  1  0.515773  0.542603  0.698342  1
  Fe  Fe467  1  0.534414  0.830910  0.724034  1
  Fe  Fe468  1  0.201081  0.497577  0.724034  1
  Fe  Fe469  1  0.554730  0.469695  0.666112  1
  Fe  Fe470  1  0.240623  0.425078  0.691619  1
  Fe  Fe471  1  0.221396  0.136362  0.666112  1
  Fe  Fe472  1  0.907289  0.091745  0.691619  1
  Fe  Fe473  1  0.888063  0.803028  0.666112  1
  Fe  Fe474  1  0.925002  0.384038  0.717105  1
  Fe  Fe475  1  0.573956  0.758411  0.691619  1
  Fe  Fe476  1  0.591669  0.050705  0.717105  1
  Fe  Fe477  1  0.258336  0.717372  0.717105  1
  Fe  Fe478  1  0.723716  0.462567  0.670420  1
  Fe  Fe479  1  0.407097  0.417515  0.695472  1
  Fe  Fe480  1  0.390383  0.129233  0.670420  1
  Fe  Fe481  1  0.073763  0.084181  0.695472  1
  Fe  Fe482  1  0.057050  0.795900  0.670420  1
  Fe  Fe483  1  0.092328  0.374583  0.721671  1
  Fe  Fe484  1  0.740430  0.750848  0.695472  1
  Fe  Fe485  1  0.758995  0.041250  0.721671  1
  Fe  Fe486  1  0.425662  0.707917  0.721671  1
  Fe  Fe487  1  0.563801  0.146840  0.688237  1
  Fe  Fe488  1  0.245913  0.101254  0.714821  1
  Fe  Fe489  1  0.230467  0.813507  0.688237  1
  Fe  Fe490  1  0.912580  0.767920  0.714821  1
  Fe  Fe491  1  0.897134  0.480173  0.688237  1
  Fe  Fe492  1  0.877911  0.189518  0.663245  1
  Fe  Fe493  1  0.579246  0.434587  0.714821  1
  Fe  Fe494  1  0.544577  0.856185  0.663245  1
  Fe  Fe495  1  0.211244  0.522852  0.663245  1
  Fe  Fe496  1  0.623036  0.352204  0.687330  1
  Fe  Fe497  1  0.306814  0.310348  0.713897  1
  Fe  Fe498  1  0.289702  0.018871  0.687330  1
  Fe  Fe499  1  0.973480  0.977015  0.713897  1
  Fe  Fe500  1  0.956369  0.685538  0.687330  1
  Fe  Fe501  1  0.939094  0.398069  0.662130  1
  Fe  Fe502  1  0.640147  0.643682  0.713897  1
  Fe  Fe503  1  0.605760  0.064736  0.662130  1
  Fe  Fe504  1  0.272427  0.731403  0.662130  1
  Fe  Fe505  1  0.752285  0.245722  0.713839  1
  Fe  Fe506  1  0.382268  0.332753  0.662692  1
  Fe  Fe507  1  0.418952  0.912388  0.713839  1
  Fe  Fe508  1  0.048934  0.999420  0.662692  1
  Fe  Fe509  1  0.085618  0.579055  0.713839  1
  Fe  Fe510  1  0.065431  0.288305  0.688089  1
  Fe  Fe511  1  0.715601  0.666087  0.662692  1
  Fe  Fe512  1  0.732098  0.954972  0.688089  1
  Fe  Fe513  1  0.398764  0.621639  0.688089  1
  Fe  Fe514  1  0.664961  0.256851  0.670888  1
  Fe  Fe515  1  0.346059  0.208341  0.697153  1
  Fe  Fe516  1  0.331627  0.923518  0.670888  1
  Fe  Fe517  1  0.012726  0.875007  0.697153  1
  Fe  Fe518  1  0.998294  0.590184  0.670888  1
  Fe  Fe519  1  0.042878  0.183109  0.723843  1
  Fe  Fe520  1  0.679393  0.541674  0.697153  1
  Fe  Fe521  1  0.709544  0.849776  0.723843  1
  Fe  Fe522  1  0.376211  0.516442  0.723843  1
  Fe  Fe523  1  0.732479  0.138472  0.692734  1
  Fe  Fe524  1  0.419656  0.094883  0.719484  1
  Fe  Fe525  1  0.399146  0.805138  0.692734  1
  Fe  Fe526  1  0.086322  0.761550  0.719484  1
  Fe  Fe527  1  0.065813  0.471805  0.692734  1
  Fe  Fe528  1  0.047798  0.182597  0.667324  1
  Fe  Fe529  1  0.752989  0.428217  0.719484  1
  Fe  Fe530  1  0.714465  0.849264  0.667324  1
  Fe  Fe531  1  0.381132  0.515930  0.667324  1
  Fe  Fe532  1  0.587429  0.231356  0.721602  1
  Fe  Fe533  1  0.219793  0.319274  0.670789  1
  Fe  Fe534  1  0.254096  0.898023  0.721602  1
  Fe  Fe535  1  0.886460  0.985941  0.670789  1
  Fe  Fe536  1  0.920763  0.564690  0.721602  1
  Fe  Fe537  1  0.906823  0.275071  0.695494  1
  Fe  Fe538  1  0.553126  0.652607  0.670789  1
  Fe  Fe539  1  0.573489  0.941738  0.695494  1
  Fe  Fe540  1  0.240156  0.608404  0.695494  1
  C  C541  1  0.431363  0.998154  0.330497  1
  C  C542  1  0.061405  0.084794  0.280081  1
  C  C543  1  0.098029  0.664820  0.330497  1
  C  C544  1  0.728071  0.751461  0.280081  1
  C  C545  1  0.764696  0.331487  0.330497  1
  C  C546  1  0.747300  0.043921  0.305172  1
  C  C547  1  0.394738  0.418128  0.280081  1
  C  C548  1  0.413967  0.710587  0.305172  1
  C  C549  1  0.080634  0.377254  0.305172  1
  C  C550  1  0.519024  0.907308  0.291615  1
  C  C551  1  0.201411  0.862726  0.316875  1
  C  C552  1  0.185691  0.573974  0.291615  1
  C  C553  1  0.868078  0.529393  0.316875  1
  C  C554  1  0.852358  0.240641  0.291615  1
  C  C555  1  0.885235  0.817061  0.342738  1
  C  C556  1  0.534744  0.196059  0.316875  1
  C  C557  1  0.551901  0.483728  0.342738  1
  C  C558  1  0.218568  0.150395  0.342738  1
  C  C559  1  0.241944  0.054700  0.298540  1
  C  C560  1  0.925775  0.009478  0.323890  1
  C  C561  1  0.908611  0.721367  0.298540  1
  C  C562  1  0.592442  0.676144  0.323890  1
  C  C563  1  0.575278  0.388033  0.298540  1
  C  C564  1  0.564797  0.103246  0.273787  1
  C  C565  1  0.259108  0.342811  0.323890  1
  C  C566  1  0.231464  0.769913  0.273787  1
  C  C567  1  0.898130  0.436579  0.273787  1
  C  C568  1  0.381307  0.830788  0.336361  1
  C  C569  1  0.011519  0.918058  0.284582  1
  C  C570  1  0.047974  0.497455  0.336361  1
  C  C571  1  0.678186  0.584725  0.284582  1
  C  C572  1  0.714641  0.164122  0.336361  1
  C  C573  1  0.696230  0.874312  0.310156  1
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