# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49847183
_cell_length_b   33.22871809
_cell_length_c   49.72429279
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe420 C180'
_cell_volume   10737.2593347
_cell_formula_units_Z   60
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  0.940741  0.578517  0.349762  1
  Fe  Fe2  1  0.940988  0.925328  0.320367  1
  Fe  Fe3  1  0.969052  0.266823  0.290345  1
  Fe  Fe4  1  0.557819  0.628527  0.311501  1
  Fe  Fe5  1  0.550551  0.977569  0.281026  1
  Fe  Fe6  1  0.556493  0.282408  0.341482  1
  Fe  Fe7  1  0.438574  0.794046  0.317153  1
  Fe  Fe8  1  0.421984  0.141542  0.287995  1
  Fe  Fe9  1  0.440410  0.445920  0.347222  1
  Fe  Fe10  1  0.059826  0.742450  0.356463  1
  Fe  Fe11  1  0.058687  0.089071  0.325661  1
  Fe  Fe12  1  0.058750  0.434863  0.295605  1
  Fe  Fe13  1  0.249071  0.602322  0.295720  1
  Fe  Fe14  1  0.249960  0.909945  0.356137  1
  Fe  Fe15  1  0.248798  0.256041  0.326423  1
  Fe  Fe16  1  0.249489  0.613587  0.345829  1
  Fe  Fe17  1  0.250025  0.961857  0.316936  1
  Fe  Fe18  1  0.249107  0.307942  0.285619  1
  Fe  Fe19  1  0.740939  0.807637  0.284047  1
  Fe  Fe20  1  0.749528  0.116133  0.342793  1
  Fe  Fe21  1  0.749476  0.461884  0.312826  1
  Fe  Fe22  1  0.747062  0.757010  0.322160  1
  Fe  Fe23  1  0.749650  0.104490  0.293397  1
  Fe  Fe24  1  0.749244  0.410228  0.351241  1
  Fe  Fe25  1  0.247941  0.672361  0.306779  1
  Fe  Fe26  1  0.223981  0.009146  0.283013  1
  Fe  Fe27  1  0.249106  0.326191  0.335888  1
  Fe  Fe28  1  0.249779  0.544626  0.330509  1
  Fe  Fe29  1  0.268927  0.895675  0.307664  1
  Fe  Fe30  1  0.248925  0.198130  0.362326  1
  Fe  Fe31  1  0.749692  0.698904  0.360233  1
  Fe  Fe32  1  0.749269  0.046232  0.329809  1
  Fe  Fe33  1  0.749323  0.391091  0.299444  1
  Fe  Fe34  1  0.749208  0.826652  0.336061  1
  Fe  Fe35  1  0.747881  0.173660  0.306610  1
  Fe  Fe36  1  0.749489  0.517689  0.274607  1
  Fe  Fe37  1  0.247300  0.740139  0.302601  1
  Fe  Fe38  1  0.248351  0.082199  0.270989  1
  Fe  Fe39  1  0.249297  0.393788  0.333248  1
  Fe  Fe40  1  0.280583  0.835929  0.273576  1
  Fe  Fe41  1  0.248627  0.143483  0.334631  1
  Fe  Fe42  1  0.249496  0.489690  0.303348  1
  Fe  Fe43  1  0.749562  0.630874  0.363305  1
  Fe  Fe44  1  0.750040  0.978863  0.332301  1
  Fe  Fe45  1  0.749089  0.323335  0.300639  1
  Fe  Fe46  1  0.749478  0.574283  0.300819  1
  Fe  Fe47  1  0.749957  0.881541  0.362795  1
  Fe  Fe48  1  0.748854  0.227870  0.333833  1
  Fe  Fe49  1  0.942391  0.628429  0.311430  1
  Fe  Fe50  1  0.896049  0.966957  0.282291  1
  Fe  Fe51  1  0.941552  0.282395  0.341454  1
  Fe  Fe52  1  0.558362  0.578584  0.349730  1
  Fe  Fe53  1  0.567226  0.926811  0.320126  1
  Fe  Fe54  1  0.528509  0.266815  0.290306  1
  Fe  Fe55  1  0.438780  0.742412  0.356460  1
  Fe  Fe56  1  0.436227  0.088830  0.325572  1
  Fe  Fe57  1  0.440021  0.434864  0.295579  1
  Fe  Fe58  1  0.062480  0.794536  0.317025  1
  Fe  Fe59  1  0.074263  0.141758  0.287853  1
  Fe  Fe60  1  0.058337  0.445927  0.347214  1
  Fe  Fe61  1  0.073786  0.673802  0.355026  1
  Fe  Fe62  1  0.069258  0.020636  0.325398  1
  Fe  Fe63  1  0.073662  0.366108  0.295363  1
  Fe  Fe64  1  0.426923  0.542794  0.280731  1
  Fe  Fe65  1  0.429956  0.851823  0.341531  1
  Fe  Fe66  1  0.426728  0.198891  0.311692  1
  Fe  Fe67  1  0.570946  0.697217  0.311137  1
  Fe  Fe68  1  0.568185  0.046697  0.281581  1
  Fe  Fe69  1  0.572637  0.350514  0.341450  1
  Fe  Fe70  1  0.931916  0.867007  0.295345  1
  Fe  Fe71  1  0.927119  0.172873  0.356816  1
  Fe  Fe72  1  0.925977  0.519569  0.326142  1
  Fe  Fe73  1  0.926697  0.697761  0.311015  1
  Fe  Fe74  1  0.927374  0.045969  0.280344  1
  Fe  Fe75  1  0.925741  0.350516  0.341466  1
  Fe  Fe76  1  0.572359  0.868485  0.294435  1
  Fe  Fe77  1  0.571265  0.172865  0.356744  1
  Fe  Fe78  1  0.572857  0.519625  0.326110  1
  Fe  Fe79  1  0.425396  0.673762  0.354882  1
  Fe  Fe80  1  0.426828  0.020715  0.324999  1
  Fe  Fe81  1  0.424856  0.366097  0.295368  1
  Fe  Fe82  1  0.072130  0.542773  0.280703  1
  Fe  Fe83  1  0.071834  0.852205  0.341197  1
  Fe  Fe84  1  0.070914  0.199015  0.311635  1
  Fe  Fe85  1  0.942139  0.538386  0.440479  1
  Fe  Fe86  1  0.941233  0.885208  0.410846  1
  Fe  Fe87  1  0.939810  0.231732  0.381405  1
  Fe  Fe88  1  0.557206  0.589591  0.401313  1
  Fe  Fe89  1  0.560286  0.936137  0.371521  1
  Fe  Fe90  1  0.557008  0.242576  0.432172  1
  Fe  Fe91  1  0.441793  0.753298  0.408076  1
  Fe  Fe92  1  0.443033  0.099615  0.378255  1
  Fe  Fe93  1  0.441641  0.406549  0.438334  1
  Fe  Fe94  1  0.058027  0.702101  0.447315  1
  Fe  Fe95  1  0.055913  0.048479  0.417323  1
  Fe  Fe96  1  0.060349  0.395059  0.386363  1
  Fe  Fe97  1  0.249394  0.562582  0.384575  1
  Fe  Fe98  1  0.249644  0.869062  0.446151  1
  Fe  Fe99  1  0.249288  0.215735  0.416158  1
  Fe  Fe100  1  0.249441  0.574294  0.436666  1
  Fe  Fe101  1  0.249512  0.920714  0.407126  1
  Fe  Fe102  1  0.249191  0.267482  0.377055  1
  Fe  Fe103  1  0.750303  0.769324  0.372569  1
  Fe  Fe104  1  0.749245  0.075558  0.434089  1
  Fe  Fe105  1  0.749406  0.422178  0.403029  1
  Fe  Fe106  1  0.749578  0.717447  0.411897  1
  Fe  Fe107  1  0.748475  0.064610  0.381141  1
  Fe  Fe108  1  0.749288  0.370990  0.441912  1
  Fe  Fe109  1  0.249557  0.632930  0.397458  1
  Fe  Fe110  1  0.249528  0.979532  0.367645  1
  Fe  Fe111  1  0.249065  0.285900  0.428671  1
  Fe  Fe112  1  0.249500  0.504996  0.421561  1
  Fe  Fe113  1  0.250129  0.851852  0.391540  1
  Fe  Fe114  1  0.249303  0.158137  0.452693  1
  Fe  Fe115  1  0.749438  0.658575  0.451182  1
  Fe  Fe116  1  0.749525  0.005775  0.421333  1
  Fe  Fe117  1  0.749284  0.352447  0.390578  1
  Fe  Fe118  1  0.749547  0.786382  0.427077  1
  Fe  Fe119  1  0.749244  0.132777  0.397081  1
  Fe  Fe120  1  0.749305  0.479858  0.366582  1
  Fe  Fe121  1  0.249657  0.701119  0.394467  1
  Fe  Fe122  1  0.248969  0.047880  0.364617  1
  Fe  Fe123  1  0.249282  0.354367  0.425353  1
  Fe  Fe124  1  0.249549  0.797202  0.364370  1
  Fe  Fe125  1  0.249237  0.103339  0.425132  1
  Fe  Fe126  1  0.249345  0.450099  0.394275  1
  Fe  Fe127  1  0.749439  0.590547  0.454074  1
  Fe  Fe128  1  0.749721  0.937544  0.424055  1
  Fe  Fe129  1  0.749117  0.284182  0.394047  1
  Fe  Fe130  1  0.749452  0.534380  0.393968  1
  Fe  Fe131  1  0.749602  0.841224  0.454412  1
  Fe  Fe132  1  0.749280  0.187741  0.424579  1
  Fe  Fe133  1  0.941637  0.589566  0.401328  1
  Fe  Fe134  1  0.938728  0.935961  0.371650  1
  Fe  Fe135  1  0.941521  0.242552  0.432161  1
  Fe  Fe136  1  0.556723  0.538388  0.440473  1
  Fe  Fe137  1  0.559023  0.885155  0.410909  1
  Fe  Fe138  1  0.558095  0.231752  0.381391  1
  Fe  Fe139  1  0.440993  0.702106  0.447305  1
  Fe  Fe140  1  0.442885  0.048466  0.417304  1
  Fe  Fe141  1  0.438255  0.395048  0.386357  1
  Fe  Fe142  1  0.057272  0.753361  0.408048  1
  Fe  Fe143  1  0.055183  0.099736  0.378235  1
  Fe  Fe144  1  0.057073  0.406554  0.438323  1
  Fe  Fe145  1  0.071710  0.633685  0.446127  1
  Fe  Fe146  1  0.071850  0.980332  0.416270  1
  Fe  Fe147  1  0.072261  0.327029  0.385586  1
  Fe  Fe148  1  0.426452  0.504701  0.371243  1
  Fe  Fe149  1  0.427551  0.811765  0.432203  1
  Fe  Fe150  1  0.427459  0.158025  0.402369  1
  Fe  Fe151  1  0.571783  0.658046  0.402447  1
  Fe  Fe152  1  0.572846  0.005667  0.372637  1
  Fe  Fe153  1  0.571846  0.311716  0.433303  1
  Fe  Fe154  1  0.926913  0.826405  0.386462  1
  Fe  Fe155  1  0.926903  0.133025  0.447711  1
  Fe  Fe156  1  0.927358  0.479760  0.416426  1
  Fe  Fe157  1  0.927191  0.658033  0.402451  1
  Fe  Fe158  1  0.926363  0.005482  0.372539  1
  Fe  Fe159  1  0.926828  0.311722  0.433306  1
  Fe  Fe160  1  0.572724  0.826506  0.386557  1
  Fe  Fe161  1  0.571914  0.133043  0.447707  1
  Fe  Fe162  1  0.571460  0.479760  0.416428  1
  Fe  Fe163  1  0.427217  0.633685  0.446133  1
  Fe  Fe164  1  0.426976  0.980344  0.416251  1
  Fe  Fe165  1  0.426191  0.327040  0.385601  1
  Fe  Fe166  1  0.072322  0.504706  0.371238  1
  Fe  Fe167  1  0.072144  0.811682  0.432241  1
  Fe  Fe168  1  0.071098  0.158088  0.402321  1
  Fe  Fe169  1  0.941454  0.498197  0.531536  1
  Fe  Fe170  1  0.941968  0.844735  0.501743  1
  Fe  Fe171  1  0.940256  0.191330  0.471684  1
  Fe  Fe172  1  0.557996  0.549431  0.492284  1
  Fe  Fe173  1  0.558455  0.895950  0.462454  1
  Fe  Fe174  1  0.555435  0.202158  0.523039  1
  Fe  Fe175  1  0.441780  0.713007  0.499048  1
  Fe  Fe176  1  0.441471  0.059532  0.469270  1
  Fe  Fe177  1  0.440348  0.366404  0.529117  1
  Fe  Fe178  1  0.058233  0.661778  0.538307  1
  Fe  Fe179  1  0.058104  0.008302  0.508523  1
  Fe  Fe180  1  0.055347  0.355588  0.477760  1
  Fe  Fe181  1  0.249436  0.522398  0.475889  1
  Fe  Fe182  1  0.249292  0.828695  0.537122  1
  Fe  Fe183  1  0.249482  0.175285  0.506830  1
  Fe  Fe184  1  0.249486  0.534004  0.527735  1
  Fe  Fe185  1  0.249498  0.880548  0.497926  1
  Fe  Fe186  1  0.249430  0.227363  0.467612  1
  Fe  Fe187  1  0.749639  0.729040  0.463681  1
  Fe  Fe188  1  0.749494  0.035337  0.524913  1
  Fe  Fe189  1  0.749448  0.382450  0.493973  1
  Fe  Fe190  1  0.749433  0.677187  0.502877  1
  Fe  Fe191  1  0.749444  0.023731  0.473068  1
  Fe  Fe192  1  0.749501  0.330372  0.533190  1
  Fe  Fe193  1  0.249442  0.592701  0.488352  1
  Fe  Fe194  1  0.249834  0.939213  0.458612  1
  Fe  Fe195  1  0.249429  0.245646  0.519167  1
  Fe  Fe196  1  0.249423  0.465164  0.512516  1
  Fe  Fe197  1  0.249577  0.811529  0.482599  1
  Fe  Fe198  1  0.249545  0.117730  0.543670  1
  Fe  Fe199  1  0.749096  0.618522  0.542191  1
  Fe  Fe200  1  0.749488  0.965034  0.512451  1
  Fe  Fe201  1  0.749502  0.312089  0.481636  1
  Fe  Fe202  1  0.749354  0.746206  0.518204  1
  Fe  Fe203  1  0.749508  0.092571  0.488286  1
  Fe  Fe204  1  0.749386  0.440005  0.457133  1
  Fe  Fe205  1  0.249440  0.660851  0.485395  1
  Fe  Fe206  1  0.249505  0.007395  0.455687  1
  Fe  Fe207  1  0.249499  0.313891  0.516151  1
  Fe  Fe208  1  0.249573  0.756806  0.455338  1
  Fe  Fe209  1  0.249500  0.062851  0.516614  1
  Fe  Fe210  1  0.249410  0.410365  0.485156  1
  Fe  Fe211  1  0.749425  0.550340  0.545116  1
  Fe  Fe212  1  0.749490  0.896883  0.515408  1
  Fe  Fe213  1  0.749432  0.243844  0.484651  1
  Fe  Fe214  1  0.749430  0.494884  0.484189  1
  Fe  Fe215  1  0.749357  0.800929  0.545464  1
  Fe  Fe216  1  0.749520  0.147370  0.515647  1
  Fe  Fe217  1  0.940826  0.549433  0.492279  1
  Fe  Fe218  1  0.940697  0.895957  0.462496  1
  Fe  Fe219  1  0.943583  0.202147  0.523042  1
  Fe  Fe220  1  0.557459  0.498203  0.531533  1
  Fe  Fe221  1  0.557150  0.844728  0.501755  1
  Fe  Fe222  1  0.558582  0.191331  0.471686  1
  Fe  Fe223  1  0.440475  0.661785  0.538349  1
  Fe  Fe224  1  0.440935  0.008304  0.508519  1
  Fe  Fe225  1  0.443496  0.355577  0.477764  1
  Fe  Fe226  1  0.056963  0.713000  0.499060  1
  Fe  Fe227  1  0.057476  0.059537  0.469267  1
  Fe  Fe228  1  0.058674  0.366405  0.529118  1
  Fe  Fe229  1  0.072084  0.593392  0.537102  1
  Fe  Fe230  1  0.071721  0.940007  0.507404  1
  Fe  Fe231  1  0.071544  0.286769  0.476786  1
  Fe  Fe232  1  0.427170  0.465114  0.462054  1
  Fe  Fe233  1  0.426896  0.771421  0.523198  1
  Fe  Fe234  1  0.426717  0.117688  0.493066  1
  Fe  Fe235  1  0.571688  0.617729  0.493391  1
  Fe  Fe236  1  0.572189  0.964360  0.463687  1
  Fe  Fe237  1  0.571667  0.270959  0.524009  1
  Fe  Fe238  1  0.926942  0.786325  0.477581  1
  Fe  Fe239  1  0.927305  0.092622  0.538746  1
  Fe  Fe240  1  0.926690  0.440035  0.507740  1
  Fe  Fe241  1  0.927209  0.617728  0.493398  1
  Fe  Fe242  1  0.926847  0.964343  0.463701  1
  Fe  Fe243  1  0.927386  0.270966  0.524017  1
  Fe  Fe244  1  0.572034  0.786314  0.477605  1
  Fe  Fe245  1  0.571761  0.092621  0.538748  1
  Fe  Fe246  1  0.572213  0.440047  0.507736  1
  Fe  Fe247  1  0.426741  0.593375  0.537116  1
  Fe  Fe248  1  0.427242  0.940005  0.507412  1
  Fe  Fe249  1  0.427263  0.286776  0.476793  1
  Fe  Fe250  1  0.071625  0.465113  0.462057  1
  Fe  Fe251  1  0.071988  0.771410  0.523222  1
  Fe  Fe252  1  0.072240  0.117699  0.493062  1
  Fe  Fe253  1  0.943747  0.457999  0.622567  1
  Fe  Fe254  1  0.941659  0.804374  0.592755  1
  Fe  Fe255  1  0.941857  0.151181  0.562480  1
  Fe  Fe256  1  0.556045  0.509269  0.583499  1
  Fe  Fe257  1  0.557937  0.855629  0.553498  1
  Fe  Fe258  1  0.560675  0.162687  0.614445  1
  Fe  Fe259  1  0.439907  0.672580  0.589894  1
  Fe  Fe260  1  0.442207  0.019347  0.560330  1
  Fe  Fe261  1  0.440835  0.325983  0.619412  1
  Fe  Fe262  1  0.060202  0.621774  0.629152  1
  Fe  Fe263  1  0.057293  0.968168  0.599475  1
  Fe  Fe264  1  0.057409  0.315183  0.568641  1
  Fe  Fe265  1  0.249685  0.482177  0.566714  1
  Fe  Fe266  1  0.248627  0.788411  0.628234  1
  Fe  Fe267  1  0.249524  0.135557  0.597774  1
  Fe  Fe268  1  0.250456  0.493125  0.619662  1
  Fe  Fe269  1  0.249353  0.840288  0.588906  1
  Fe  Fe270  1  0.249642  0.186745  0.558890  1
  Fe  Fe271  1  0.749287  0.688673  0.554652  1
  Fe  Fe272  1  0.749536  0.995152  0.616228  1
  Fe  Fe273  1  0.749642  0.342000  0.584645  1
  Fe  Fe274  1  0.749418  0.637021  0.593676  1
  Fe  Fe275  1  0.749489  0.983441  0.564136  1
  Fe  Fe276  1  0.749739  0.290253  0.623748  1
  Fe  Fe277  1  0.249405  0.551960  0.579470  1
  Fe  Fe278  1  0.249492  0.899160  0.549620  1
  Fe  Fe279  1  0.249646  0.205288  0.610225  1
  Fe  Fe280  1  0.249686  0.424958  0.603721  1
  Fe  Fe281  1  0.249383  0.771353  0.573725  1
  Fe  Fe282  1  0.249625  0.077877  0.634220  1
  Fe  Fe283  1  0.749402  0.578203  0.633157  1
  Fe  Fe284  1  0.749373  0.924805  0.603344  1
  Fe  Fe285  1  0.749866  0.271834  0.572132  1
  Fe  Fe286  1  0.748801  0.705883  0.609263  1
  Fe  Fe287  1  0.749431  0.052739  0.579242  1
  Fe  Fe288  1  0.749628  0.399598  0.548109  1
  Fe  Fe289  1  0.249209  0.620190  0.576747  1
  Fe  Fe290  1  0.249491  0.967188  0.546729  1
  Fe  Fe291  1  0.249813  0.273553  0.606756  1
  Fe  Fe292  1  0.249328  0.716511  0.546391  1
  Fe  Fe293  1  0.249478  0.023355  0.606835  1
  Fe  Fe294  1  0.249650  0.369994  0.576224  1
  Fe  Fe295  1  0.749961  0.509855  0.636185  1
  Fe  Fe296  1  0.749273  0.856616  0.606335  1
  Fe  Fe297  1  0.749648  0.203367  0.575450  1
  Fe  Fe298  1  0.749693  0.454396  0.575671  1
  Fe  Fe299  1  0.749382  0.760533  0.636433  1
  Fe  Fe300  1  0.749585  0.107635  0.606527  1
  Fe  Fe301  1  0.943018  0.509256  0.583479  1
  Fe  Fe302  1  0.940903  0.855633  0.553487  1
  Fe  Fe303  1  0.938581  0.162676  0.614440  1
  Fe  Fe304  1  0.555897  0.458120  0.622548  1
  Fe  Fe305  1  0.557137  0.804437  0.592727  1
  Fe  Fe306  1  0.557289  0.151186  0.562469  1
  Fe  Fe307  1  0.438644  0.621597  0.629282  1
  Fe  Fe308  1  0.441724  0.968144  0.599490  1
  Fe  Fe309  1  0.441922  0.315158  0.568631  1
  Fe  Fe310  1  0.057697  0.672527  0.589957  1
  Fe  Fe311  1  0.056791  0.019349  0.560324  1
  Fe  Fe312  1  0.059121  0.326003  0.619398  1
  Fe  Fe313  1  0.072568  0.552253  0.628264  1
  Fe  Fe314  1  0.071739  0.899702  0.598352  1
  Fe  Fe315  1  0.072102  0.246013  0.567496  1
  Fe  Fe316  1  0.427016  0.424692  0.553096  1
  Fe  Fe317  1  0.426206  0.731229  0.614246  1
  Fe  Fe318  1  0.427470  0.077975  0.584374  1
  Fe  Fe319  1  0.571954  0.577391  0.584552  1
  Fe  Fe320  1  0.571713  0.924050  0.554670  1
  Fe  Fe321  1  0.572739  0.230695  0.615202  1
  Fe  Fe322  1  0.926786  0.746053  0.568562  1
  Fe  Fe323  1  0.926608  0.053028  0.629564  1
  Fe  Fe324  1  0.927832  0.399647  0.598482  1
  Fe  Fe325  1  0.927080  0.577403  0.584533  1
  Fe  Fe326  1  0.927220  0.924050  0.554676  1
  Fe  Fe327  1  0.926669  0.230706  0.615216  1
  Fe  Fe328  1  0.571379  0.745970  0.568600  1
  Fe  Fe329  1  0.572478  0.053033  0.629559  1
  Fe  Fe330  1  0.571471  0.399709  0.598434  1
  Fe  Fe331  1  0.426085  0.552068  0.628165  1
  Fe  Fe332  1  0.427147  0.899689  0.598356  1
  Fe  Fe333  1  0.427084  0.246019  0.567499  1
  Fe  Fe334  1  0.072027  0.424709  0.553092  1
  Fe  Fe335  1  0.072017  0.731330  0.614340  1
  Fe  Fe336  1  0.071572  0.077975  0.584376  1
  Fe  Fe337  1  0.924668  0.415977  0.712950  1
  Fe  Fe338  1  0.936451  0.763199  0.683777  1
  Fe  Fe339  1  0.940593  0.111808  0.653589  1
  Fe  Fe340  1  0.562704  0.468905  0.675231  1
  Fe  Fe341  1  0.560151  0.815323  0.644343  1
  Fe  Fe342  1  0.558909  0.122871  0.705224  1
  Fe  Fe343  1  0.431704  0.630924  0.680676  1
  Fe  Fe344  1  0.440568  0.979151  0.651073  1
  Fe  Fe345  1  0.470421  0.290920  0.710496  1
  Fe  Fe346  1  0.102881  0.590778  0.718511  1
  Fe  Fe347  1  0.056539  0.929306  0.689373  1
  Fe  Fe348  1  0.057378  0.275340  0.659349  1
  Fe  Fe349  1  0.249402  0.441602  0.658010  1
  Fe  Fe350  1  0.257991  0.750097  0.716755  1
  Fe  Fe351  1  0.249454  0.095850  0.687977  1
  Fe  Fe352  1  0.249280  0.453245  0.707406  1
  Fe  Fe353  1  0.251869  0.800725  0.678643  1
  Fe  Fe354  1  0.249686  0.147507  0.649561  1
  Fe  Fe355  1  0.748971  0.647790  0.644666  1
  Fe  Fe356  1  0.749860  0.955413  0.705083  1
  Fe  Fe357  1  0.750133  0.301694  0.674380  1
  Fe  Fe358  1  0.748906  0.595878  0.683866  1
  Fe  Fe359  1  0.749441  0.944148  0.654973  1
  Fe  Fe360  1  0.749823  0.249792  0.715183  1
  Fe  Fe361  1  0.249661  0.511503  0.670994  1
  Fe  Fe362  1  0.249238  0.858831  0.640569  1
  Fe  Fe363  1  0.249608  0.166643  0.701358  1
  Fe  Fe364  1  0.251049  0.384075  0.694192  1
  Fe  Fe365  1  0.249722  0.731083  0.664742  1
  Fe  Fe366  1  0.249441  0.040046  0.726196  1
  Fe  Fe367  1  0.774950  0.548588  0.717789  1
  Fe  Fe368  1  0.750989  0.885374  0.694024  1
  Fe  Fe369  1  0.749825  0.231544  0.664915  1
  Fe  Fe370  1  0.730003  0.662060  0.693139  1
  Fe  Fe371  1  0.749152  0.013109  0.670294  1
  Fe  Fe372  1  0.750005  0.359605  0.638477  1
  Fe  Fe373  1  0.248891  0.578872  0.668501  1
  Fe  Fe374  1  0.249368  0.926860  0.637498  1
  Fe  Fe375  1  0.249842  0.234400  0.700163  1
  Fe  Fe376  1  0.248974  0.676194  0.638008  1
  Fe  Fe377  1  0.249452  0.983452  0.699984  1
  Fe  Fe378  1  0.250076  0.329865  0.666970  1
  Fe  Fe379  1  0.750580  0.475536  0.729814  1
  Fe  Fe380  1  0.751631  0.817596  0.698202  1
  Fe  Fe381  1  0.749633  0.163947  0.667554  1
  Fe  Fe382  1  0.750304  0.414251  0.666171  1
  Fe  Fe383  1  0.718347  0.721806  0.727227  1
  Fe  Fe384  1  0.749434  0.068045  0.697455  1
  Fe  Fe385  1  0.940243  0.468664  0.675142  1
  Fe  Fe386  1  0.939105  0.815285  0.644340  1
  Fe  Fe387  1  0.940180  0.122872  0.705198  1
  Fe  Fe388  1  0.576946  0.416193  0.712808  1
  Fe  Fe389  1  0.560356  0.763689  0.683649  1
  Fe  Fe390  1  0.558520  0.111815  0.653580  1
  Fe  Fe391  1  0.448379  0.580166  0.719777  1
  Fe  Fe392  1  0.441111  0.929208  0.689302  1
  Fe  Fe393  1  0.442437  0.275327  0.659321  1
  Fe  Fe394  1  0.057942  0.632407  0.680436  1
  Fe  Fe395  1  0.058189  0.979218  0.651041  1
  Fe  Fe396  1  0.029878  0.290912  0.710457  1
  Fe  Fe397  1  0.071557  0.511766  0.720459  1
  Fe  Fe398  1  0.072233  0.859974  0.689787  1
  Fe  Fe399  1  0.073189  0.207219  0.659337  1
  Fe  Fe400  1  0.427665  0.384870  0.644058  1
  Fe  Fe401  1  0.426571  0.689250  0.706367  1
  Fe  Fe402  1  0.426073  0.038110  0.674693  1
  Fe  Fe403  1  0.572102  0.537020  0.675803  1
  Fe  Fe404  1  0.573534  0.883973  0.645921  1
  Fe  Fe405  1  0.574075  0.191638  0.705435  1
  Fe  Fe406  1  0.927096  0.705530  0.659606  1
  Fe  Fe407  1  0.926800  0.014962  0.720100  1
  Fe  Fe408  1  0.928016  0.358720  0.689168  1
  Fe  Fe409  1  0.929672  0.537099  0.675404  1
  Fe  Fe410  1  0.925144  0.883932  0.645777  1
  Fe  Fe411  1  0.925268  0.191627  0.705440  1
  Fe  Fe412  1  0.568975  0.705912  0.659271  1
  Fe  Fe413  1  0.572007  0.014941  0.720072  1
  Fe  Fe414  1  0.572202  0.358844  0.689111  1
  Fe  Fe415  1  0.430745  0.511038  0.719222  1
  Fe  Fe416  1  0.427984  0.860517  0.689665  1
  Fe  Fe417  1  0.426293  0.207221  0.659352  1
  Fe  Fe418  1  0.071812  0.384862  0.643987  1
  Fe  Fe419  1  0.067014  0.690728  0.705458  1
  Fe  Fe420  1  0.072954  0.038166  0.674660  1
  C  C421  1  0.749326  0.535205  0.355341  1
  C  C422  1  0.749231  0.881673  0.324147  1
  C  C423  1  0.748767  0.228930  0.295197  1
  C  C424  1  0.750574  0.661731  0.330632  1
  C  C425  1  0.749751  0.009929  0.299707  1
  C  C426  1  0.749140  0.314781  0.361267  1
  C  C427  1  0.252202  0.838294  0.311997  1
  C  C428  1  0.249004  0.187597  0.281729  1
  C  C429  1  0.249407  0.489395  0.341991  1
  C  C430  1  0.249206  0.710513  0.335812  1
  C  C431  1  0.246509  0.056107  0.305472  1
  C  C432  1  0.249307  0.402172  0.275674  1
  C  C433  1  0.030209  0.573263  0.313073  1
  C  C434  1  0.059772  0.919003  0.285213  1
  C  C435  1  0.032698  0.227605  0.344829  1
  C  C436  1  0.465929  0.660904  0.281817  1
  C  C437  1  0.468277  0.969799  0.342490  1
  C  C438  1  0.468461  0.314060  0.311240  1
  C  C439  1  0.534023  0.797033  0.353702  1
  C  C440  1  0.532630  0.143510  0.323839  1
  C  C441  1  0.535513  0.489524  0.293492  1
  C  C442  1  0.960942  0.750468  0.295785  1
  C  C443  1  0.965174  0.056664  0.355291  1
  C  C444  1  0.963343  0.402324  0.325036  1
  C  C445  1  0.965463  0.797108  0.353526  1
  C  C446  1  0.964818  0.143881  0.323756  1
  C  C447  1  0.963458  0.489534  0.293500  1
  C  C448  1  0.534220  0.749707  0.295711  1
  C  C449  1  0.532554  0.056655  0.355175  1
  C  C450  1  0.535226  0.402329  0.325024  1
  C  C451  1  0.468655  0.573431  0.313044  1
  C  C452  1  0.459197  0.922794  0.284255  1
  C  C453  1  0.465010  0.227634  0.344824  1
  C  C454  1  0.030946  0.660971  0.281657  1
  C  C455  1  0.031311  0.969327  0.342494  1
  C  C456  1  0.029743  0.314081  0.311236  1
  C  C457  1  0.749419  0.495176  0.445553  1
  C  C458  1  0.750350  0.841665  0.415776  1
  C  C459  1  0.748870  0.188118  0.385943  1
  C  C460  1  0.749434  0.621575  0.421474  1
  C  C461  1  0.749464  0.968889  0.391587  1
  C  C462  1  0.749348  0.274891  0.452057  1
  C  C463  1  0.249748  0.796625  0.403001  1
  C  C464  1  0.249453  0.142678  0.373246  1
  C  C465  1  0.249385  0.449731  0.432908  1
  C  C466  1  0.249484  0.670090  0.427065  1
  C  C467  1  0.249312  0.016770  0.397188  1
  C  C468  1  0.249251  0.362777  0.365855  1
  C  C469  1  0.035505  0.534836  0.403869  1
  C  C470  1  0.032920  0.881272  0.374194  1
  C  C471  1  0.034142  0.187798  0.435103  1
  C  C472  1  0.464193  0.622338  0.371842  1
  C  C473  1  0.465295  0.928845  0.433072  1
  C  C474  1  0.464301  0.275992  0.403034  1
  C  C475  1  0.534197  0.756860  0.444727  1
  C  C476  1  0.534701  0.103319  0.414928  1
  C  C477  1  0.534261  0.449651  0.383802  1
  C  C478  1  0.964546  0.709679  0.385789  1
  C  C479  1  0.964483  0.015934  0.446974  1
  C  C480  1  0.965393  0.362869  0.416009  1
  C  C481  1  0.964988  0.756863  0.444710  1
  C  C482  1  0.963782  0.103310  0.414923  1
  C  C483  1  0.964451  0.449667  0.383792  1
  C  C484  1  0.534731  0.709689  0.385771  1
  C  C485  1  0.534488  0.015949  0.446960  1
  C  C486  1  0.533177  0.362865  0.416010  1
  C  C487  1  0.463385  0.534856  0.403861  1
  C  C488  1  0.467148  0.881413  0.374255  1
  C  C489  1  0.464445  0.187819  0.435115  1
  C  C490  1  0.034864  0.622292  0.371859  1
  C  C491  1  0.034055  0.928841  0.433120  1
  C  C492  1  0.033959  0.275983  0.403016  1
  C  C493  1  0.749443  0.454993  0.537041  1
  C  C494  1  0.749586  0.801470  0.506832  1
  C  C495  1  0.749416  0.147875  0.477011  1
  C  C496  1  0.749420  0.581432  0.512547  1
  C  C497  1  0.749430  0.927926  0.482812  1
  C  C498  1  0.749525  0.234244  0.542789  1
  C  C499  1  0.249344  0.756264  0.493971  1
  C  C500  1  0.249488  0.102742  0.463761  1
  C  C501  1  0.249514  0.409860  0.523791  1
  C  C502  1  0.249500  0.629809  0.517990  1
  C  C503  1  0.249510  0.976303  0.488256  1
  C  C504  1  0.249406  0.323491  0.458014  1
  C  C505  1  0.033898  0.494675  0.494888  1
  C  C506  1  0.034141  0.841216  0.465080  1
  C  C507  1  0.035020  0.147313  0.525882  1
  C  C508  1  0.464340  0.582029  0.462786  1
  C  C509  1  0.464271  0.888343  0.524057  1
  C  C510  1  0.464864  0.235267  0.493631  1
  C  C511  1  0.533850  0.716527  0.535714  1
  C  C512  1  0.533969  0.063065  0.505915  1
  C  C513  1  0.534922  0.410412  0.474927  1
  C  C514  1  0.964214  0.669386  0.476747  1
  C  C515  1  0.964387  0.975702  0.538018  1
  C  C516  1  0.964934  0.322471  0.507172  1
  C  C517  1  0.964790  0.716519  0.535722  1
  C  C518  1  0.965033  0.063059  0.505914  1
  C  C519  1  0.963910  0.410422  0.474921  1
  C  C520  1  0.534659  0.669392  0.476746  1
  C  C521  1  0.534590  0.975706  0.538017  1
  C  C522  1  0.534066  0.322468  0.507172  1
  C  C523  1  0.464962  0.494670  0.494888  1
  C  C524  1  0.465080  0.841208  0.465088  1
  C  C525  1  0.464008  0.147322  0.525876  1
  C  C526  1  0.034543  0.582033  0.462785  1
  C  C527  1  0.034716  0.888349  0.524055  1
  C  C528  1  0.033997  0.235264  0.493630  1
  C  C529  1  0.749477  0.415056  0.627557  1
  C  C530  1  0.749183  0.761110  0.597802  1
  C  C531  1  0.749545  0.108004  0.567895  1
  C  C532  1  0.749619  0.540964  0.603615  1
  C  C533  1  0.749446  0.887645  0.573738  1
  C  C534  1  0.749679  0.194958  0.634948  1
  C  C535  1  0.248581  0.716070  0.585027  1
  C  C536  1  0.249512  0.062559  0.555249  1
  C  C537  1  0.250060  0.369617  0.614859  1
  C  C538  1  0.249466  0.588846  0.609216  1
  C  C539  1  0.249497  0.936160  0.579329  1
  C  C540  1  0.249582  0.282844  0.548746  1
  C  C541  1  0.035148  0.454425  0.585880  1
  C  C542  1  0.033942  0.800872  0.556093  1
  C  C543  1  0.034480  0.108068  0.617011  1
  C  C544  1  0.464442  0.541786  0.553843  1
  C  C545  1  0.464199  0.848046  0.615032  1
  C  C546  1  0.465753  0.194870  0.584793  1
  C  C547  1  0.531782  0.676322  0.626548  1
  C  C548  1  0.535545  0.022878  0.596942  1
  C  C549  1  0.534486  0.369916  0.565687  1
  C  C550  1  0.964876  0.628894  0.567682  1
  C  C551  1  0.964067  0.935442  0.628944  1
  C  C552  1  0.964971  0.281752  0.597786  1
  C  C553  1  0.966010  0.676462  0.626609  1
  C  C554  1  0.963425  0.022899  0.596934  1
  C  C555  1  0.964789  0.369937  0.565699  1
  C  C556  1  0.533636  0.628890  0.567731  1
  C  C557  1  0.534737  0.935397  0.628961  1
  C  C558  1  0.534629  0.281742  0.597768  1
  C  C559  1  0.464229  0.454416  0.585874  1
  C  C560  1  0.464733  0.800875  0.556075  1
  C  C561  1  0.464670  0.108084  0.617001  1
  C  C562  1  0.034447  0.541800  0.553829  1
  C  C563  1  0.034384  0.848056  0.615014  1
  C  C564  1  0.033537  0.194866  0.584794  1
  C  C565  1  0.749926  0.370138  0.719074  1
  C  C566  1  0.746728  0.719441  0.688806  1
  C  C567  1  0.749524  0.068340  0.658812  1
  C  C568  1  0.752421  0.501628  0.695331  1
  C  C569  1  0.749724  0.847222  0.664991  1
  C  C570  1  0.749624  0.155563  0.725128  1
  C  C571  1  0.249699  0.676062  0.676656  1
  C  C572  1  0.249604  0.022530  0.645462  1
  C  C573  1  0.250163  0.328805  0.705606  1
  C  C574  1  0.249179  0.547806  0.701095  1
  C  C575  1  0.248356  0.896004  0.670171  1
  C  C576  1  0.249790  0.242954  0.639536  1
  C  C577  1  0.034112  0.413854  0.677047  1
  C  C578  1  0.033467  0.760627  0.647277  1
  C  C579  1  0.035473  0.068201  0.707303  1
  C  C580  1  0.466376  0.501080  0.645628  1
  C  C581  1  0.464710  0.808028  0.705091  1
  C  C582  1  0.463704  0.155406  0.675779  1
  C  C583  1  0.539733  0.634941  0.716548  1
  C  C584  1  0.530276  0.984304  0.687758  1
  C  C585  1  0.533920  0.330101  0.655979  1
  C  C586  1  0.967620  0.588408  0.658309  1
  C  C587  1  0.967985  0.896764  0.719145  1
  C  C588  1  0.969187  0.243654  0.689567  1
  C  C589  1  0.939158  0.638732  0.715590  1
  C  C590  1  0.968721  0.984472  0.687729  1
  C  C591  1  0.966232  0.330130  0.655974  1
  C  C592  1  0.530654  0.587936  0.658313  1
  C  C593  1  0.533002  0.896831  0.718985  1
  C  C594  1  0.530469  0.243675  0.689562  1
  C  C595  1  0.466300  0.414225  0.676964  1
  C  C596  1  0.464907  0.760702  0.647100  1
  C  C597  1  0.463417  0.068211  0.707311  1
  C  C598  1  0.033756  0.501071  0.645512  1
  C  C599  1  0.037988  0.807267  0.705018  1
  C  C600  1  0.035588  0.155411  0.675766  1
