# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50011796
_cell_length_b   32.23191922
_cell_length_c   51.25639361
_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   10738.7924798
_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  0.938168  0.992972  0.314879  1
  Fe  Fe2  1  0.940022  0.319210  0.344139  1
  Fe  Fe3  1  0.970324  0.661136  0.285154  1
  Fe  Fe4  1  0.559624  0.014227  0.362403  1
  Fe  Fe5  1  0.552811  0.362615  0.302395  1
  Fe  Fe6  1  0.559810  0.687821  0.333558  1
  Fe  Fe7  1  0.438804  0.183899  0.353900  1
  Fe  Fe8  1  0.431309  0.533725  0.293726  1
  Fe  Fe9  1  0.438407  0.856334  0.323011  1
  Fe  Fe10  1  0.059299  0.161101  0.305411  1
  Fe  Fe11  1  0.059744  0.487693  0.335805  1
  Fe  Fe12  1  0.029124  0.839559  0.275447  1
  Fe  Fe13  1  0.249511  0.983986  0.349808  1
  Fe  Fe14  1  0.248676  0.330749  0.289536  1
  Fe  Fe15  1  0.249029  0.657687  0.321047  1
  Fe  Fe16  1  0.248114  0.029631  0.307270  1
  Fe  Fe17  1  0.248664  0.354305  0.337296  1
  Fe  Fe18  1  0.250249  0.700822  0.277436  1
  Fe  Fe19  1  0.748895  0.192310  0.319313  1
  Fe  Fe20  1  0.748725  0.518465  0.349004  1
  Fe  Fe21  1  0.727422  0.864469  0.290953  1
  Fe  Fe22  1  0.748994  0.148052  0.361017  1
  Fe  Fe23  1  0.748430  0.496661  0.301595  1
  Fe  Fe24  1  0.746430  0.820462  0.330578  1
  Fe  Fe25  1  0.248839  0.058366  0.355503  1
  Fe  Fe26  1  0.248277  0.407462  0.292879  1
  Fe  Fe27  1  0.247467  0.731378  0.323694  1
  Fe  Fe28  1  0.257965  0.957686  0.303621  1
  Fe  Fe29  1  0.248735  0.280935  0.328361  1
  Fe  Fe30  1  0.249064  0.606598  0.360770  1
  Fe  Fe31  1  0.748851  0.117588  0.313332  1
  Fe  Fe32  1  0.748696  0.443879  0.343167  1
  Fe  Fe33  1  0.745683  0.789958  0.282682  1
  Fe  Fe34  1  0.748718  0.240825  0.277415  1
  Fe  Fe35  1  0.748718  0.569682  0.309215  1
  Fe  Fe36  1  0.748838  0.894782  0.338533  1
  Fe  Fe37  1  0.248896  0.127605  0.346082  1
  Fe  Fe38  1  0.248377  0.476278  0.284721  1
  Fe  Fe39  1  0.244953  0.799520  0.314714  1
  Fe  Fe40  1  0.248797  0.218946  0.307478  1
  Fe  Fe41  1  0.248725  0.545065  0.338976  1
  Fe  Fe42  1  0.268740  0.894438  0.277063  1
  Fe  Fe43  1  0.748552  0.049368  0.322796  1
  Fe  Fe44  1  0.748737  0.375380  0.351846  1
  Fe  Fe45  1  0.747467  0.720907  0.290186  1
  Fe  Fe46  1  0.749072  0.956399  0.359261  1
  Fe  Fe47  1  0.748704  0.304667  0.296904  1
  Fe  Fe48  1  0.749138  0.630824  0.330496  1
  Fe  Fe49  1  0.938643  0.014129  0.362488  1
  Fe  Fe50  1  0.944296  0.362586  0.302415  1
  Fe  Fe51  1  0.943852  0.688012  0.332868  1
  Fe  Fe52  1  0.562585  0.993029  0.315007  1
  Fe  Fe53  1  0.557533  0.319193  0.344137  1
  Fe  Fe54  1  0.527980  0.660801  0.284981  1
  Fe  Fe55  1  0.438341  0.161068  0.305434  1
  Fe  Fe56  1  0.437597  0.487690  0.335817  1
  Fe  Fe57  1  0.394529  0.829700  0.276597  1
  Fe  Fe58  1  0.059222  0.183892  0.353878  1
  Fe  Fe59  1  0.065661  0.533751  0.293706  1
  Fe  Fe60  1  0.060711  0.856983  0.322806  1
  Fe  Fe61  1  0.071535  0.091406  0.310863  1
  Fe  Fe62  1  0.072918  0.417284  0.340248  1
  Fe  Fe63  1  0.073670  0.764142  0.281405  1
  Fe  Fe64  1  0.428885  0.921675  0.341213  1
  Fe  Fe65  1  0.426776  0.267920  0.281154  1
  Fe  Fe66  1  0.426375  0.596776  0.311711  1
  Fe  Fe67  1  0.571213  0.085490  0.357611  1
  Fe  Fe68  1  0.573787  0.435219  0.297076  1
  Fe  Fe69  1  0.572466  0.756963  0.326826  1
  Fe  Fe70  1  0.925262  0.254281  0.326639  1
  Fe  Fe71  1  0.926455  0.579530  0.357699  1
  Fe  Fe72  1  0.930416  0.926346  0.295763  1
  Fe  Fe73  1  0.926962  0.085556  0.357645  1
  Fe  Fe74  1  0.923253  0.435299  0.297114  1
  Fe  Fe75  1  0.925571  0.758330  0.326508  1
  Fe  Fe76  1  0.572486  0.254310  0.326619  1
  Fe  Fe77  1  0.571118  0.579489  0.357705  1
  Fe  Fe78  1  0.570032  0.928734  0.295078  1
  Fe  Fe79  1  0.426366  0.091386  0.310809  1
  Fe  Fe80  1  0.424412  0.417297  0.340261  1
  Fe  Fe81  1  0.430443  0.761589  0.280599  1
  Fe  Fe82  1  0.072561  0.921657  0.341021  1
  Fe  Fe83  1  0.070761  0.267935  0.281140  1
  Fe  Fe84  1  0.071741  0.596713  0.311822  1
  Fe  Fe85  1  0.941369  0.970798  0.404750  1
  Fe  Fe86  1  0.941513  0.297398  0.435127  1
  Fe  Fe87  1  0.939921  0.645119  0.375987  1
  Fe  Fe88  1  0.558282  0.993117  0.453211  1
  Fe  Fe89  1  0.556150  0.341465  0.392666  1
  Fe  Fe90  1  0.557679  0.667230  0.423753  1
  Fe  Fe91  1  0.440848  0.162206  0.444666  1
  Fe  Fe92  1  0.442917  0.509340  0.384602  1
  Fe  Fe93  1  0.442263  0.836056  0.414550  1
  Fe  Fe94  1  0.055969  0.140200  0.396415  1
  Fe  Fe95  1  0.057697  0.465767  0.426699  1
  Fe  Fe96  1  0.060013  0.812817  0.365639  1
  Fe  Fe97  1  0.249289  0.962161  0.440374  1
  Fe  Fe98  1  0.249030  0.310420  0.379325  1
  Fe  Fe99  1  0.249188  0.636386  0.410632  1
  Fe  Fe100  1  0.249297  0.006563  0.397695  1
  Fe  Fe101  1  0.249258  0.333216  0.428215  1
  Fe  Fe102  1  0.249801  0.680522  0.368618  1
  Fe  Fe103  1  0.749195  0.171061  0.409384  1
  Fe  Fe104  1  0.749161  0.496910  0.440315  1
  Fe  Fe105  1  0.749428  0.844065  0.378523  1
  Fe  Fe106  1  0.749345  0.126246  0.451971  1
  Fe  Fe107  1  0.748783  0.473862  0.391107  1
  Fe  Fe108  1  0.749540  0.800368  0.421285  1
  Fe  Fe109  1  0.249296  0.036842  0.445584  1
  Fe  Fe110  1  0.248789  0.384517  0.385016  1
  Fe  Fe111  1  0.249287  0.710705  0.416404  1
  Fe  Fe112  1  0.249065  0.932757  0.389446  1
  Fe  Fe113  1  0.249098  0.259353  0.419825  1
  Fe  Fe114  1  0.249426  0.585312  0.450925  1
  Fe  Fe115  1  0.749311  0.096097  0.403927  1
  Fe  Fe116  1  0.749287  0.422434  0.434395  1
  Fe  Fe117  1  0.749385  0.770435  0.373714  1
  Fe  Fe118  1  0.749128  0.222019  0.369042  1
  Fe  Fe119  1  0.749068  0.547388  0.399797  1
  Fe  Fe120  1  0.749270  0.873756  0.429597  1
  Fe  Fe121  1  0.249333  0.105792  0.436398  1
  Fe  Fe122  1  0.248728  0.453521  0.376046  1
  Fe  Fe123  1  0.249400  0.779928  0.406971  1
  Fe  Fe124  1  0.249149  0.197726  0.398625  1
  Fe  Fe125  1  0.249114  0.523512  0.429496  1
  Fe  Fe126  1  0.248928  0.870722  0.368265  1
  Fe  Fe127  1  0.749313  0.027153  0.412944  1
  Fe  Fe128  1  0.749345  0.353560  0.443416  1
  Fe  Fe129  1  0.749522  0.701503  0.383293  1
  Fe  Fe130  1  0.749233  0.935734  0.450328  1
  Fe  Fe131  1  0.749073  0.283774  0.390571  1
  Fe  Fe132  1  0.749347  0.609453  0.421432  1
  Fe  Fe133  1  0.940236  0.993130  0.453222  1
  Fe  Fe134  1  0.941728  0.341448  0.392691  1
  Fe  Fe135  1  0.941263  0.667213  0.423710  1
  Fe  Fe136  1  0.558213  0.970763  0.404897  1
  Fe  Fe137  1  0.557026  0.297381  0.435106  1
  Fe  Fe138  1  0.558960  0.645319  0.375876  1
  Fe  Fe139  1  0.442425  0.140193  0.396419  1
  Fe  Fe140  1  0.440577  0.465746  0.426726  1
  Fe  Fe141  1  0.437703  0.812938  0.365804  1
  Fe  Fe142  1  0.057853  0.162204  0.444645  1
  Fe  Fe143  1  0.054779  0.509327  0.384582  1
  Fe  Fe144  1  0.056237  0.836121  0.414537  1
  Fe  Fe145  1  0.071014  0.069543  0.401474  1
  Fe  Fe146  1  0.071492  0.395769  0.431804  1
  Fe  Fe147  1  0.073713  0.743416  0.371426  1
  Fe  Fe148  1  0.427161  0.900821  0.432005  1
  Fe  Fe149  1  0.426008  0.248708  0.371449  1
  Fe  Fe150  1  0.427159  0.574370  0.402673  1
  Fe  Fe151  1  0.571690  0.063399  0.448128  1
  Fe  Fe152  1  0.571582  0.411268  0.387649  1
  Fe  Fe153  1  0.571835  0.738111  0.418506  1
  Fe  Fe154  1  0.927005  0.232788  0.417486  1
  Fe  Fe155  1  0.927161  0.558572  0.448292  1
  Fe  Fe156  1  0.926585  0.905146  0.386533  1
  Fe  Fe157  1  0.926790  0.063387  0.448130  1
  Fe  Fe158  1  0.926319  0.411293  0.387676  1
  Fe  Fe159  1  0.926874  0.738152  0.418452  1
  Fe  Fe160  1  0.571546  0.232810  0.417481  1
  Fe  Fe161  1  0.571364  0.558582  0.448272  1
  Fe  Fe162  1  0.572297  0.905287  0.386629  1
  Fe  Fe163  1  0.427441  0.069574  0.401483  1
  Fe  Fe164  1  0.426736  0.395798  0.431833  1
  Fe  Fe165  1  0.427050  0.743119  0.371086  1
  Fe  Fe166  1  0.071922  0.900738  0.432051  1
  Fe  Fe167  1  0.071975  0.248743  0.371432  1
  Fe  Fe168  1  0.070649  0.574405  0.402675  1
  Fe  Fe169  1  0.940839  0.949458  0.495841  1
  Fe  Fe170  1  0.942036  0.276140  0.526148  1
  Fe  Fe171  1  0.940431  0.623680  0.466190  1
  Fe  Fe172  1  0.554588  0.971981  0.544307  1
  Fe  Fe173  1  0.557977  0.319810  0.483861  1
  Fe  Fe174  1  0.558324  0.645774  0.514533  1
  Fe  Fe175  1  0.440548  0.140559  0.535451  1
  Fe  Fe176  1  0.441720  0.488156  0.475491  1
  Fe  Fe177  1  0.440778  0.814816  0.505725  1
  Fe  Fe178  1  0.058265  0.118499  0.487061  1
  Fe  Fe179  1  0.058151  0.444479  0.517748  1
  Fe  Fe180  1  0.054769  0.792287  0.457279  1
  Fe  Fe181  1  0.248940  0.940914  0.531315  1
  Fe  Fe182  1  0.249472  0.288698  0.470431  1
  Fe  Fe183  1  0.249458  0.614885  0.501353  1
  Fe  Fe184  1  0.249127  0.985354  0.488570  1
  Fe  Fe185  1  0.249778  0.311797  0.519267  1
  Fe  Fe186  1  0.249280  0.659390  0.459173  1
  Fe  Fe187  1  0.749488  0.149383  0.500245  1
  Fe  Fe188  1  0.749642  0.475572  0.531185  1
  Fe  Fe189  1  0.749279  0.823361  0.470277  1
  Fe  Fe190  1  0.749183  0.104899  0.542409  1
  Fe  Fe191  1  0.749430  0.452473  0.482364  1
  Fe  Fe192  1  0.749248  0.778919  0.513018  1
  Fe  Fe193  1  0.249081  0.015428  0.536559  1
  Fe  Fe194  1  0.249402  0.363103  0.476151  1
  Fe  Fe195  1  0.249328  0.689439  0.506937  1
  Fe  Fe196  1  0.249204  0.911681  0.480495  1
  Fe  Fe197  1  0.249630  0.237910  0.510870  1
  Fe  Fe198  1  0.249520  0.563901  0.541640  1
  Fe  Fe199  1  0.749285  0.074827  0.494653  1
  Fe  Fe200  1  0.749835  0.401165  0.525481  1
  Fe  Fe201  1  0.749172  0.748842  0.465029  1
  Fe  Fe202  1  0.749403  0.200363  0.459964  1
  Fe  Fe203  1  0.749595  0.526347  0.490743  1
  Fe  Fe204  1  0.749092  0.852593  0.521097  1
  Fe  Fe205  1  0.249251  0.084266  0.527600  1
  Fe  Fe206  1  0.249344  0.432022  0.467061  1
  Fe  Fe207  1  0.249193  0.758458  0.497679  1
  Fe  Fe208  1  0.249429  0.176159  0.489524  1
  Fe  Fe209  1  0.249617  0.502152  0.520257  1
  Fe  Fe210  1  0.249274  0.849796  0.459366  1
  Fe  Fe211  1  0.749096  0.005810  0.503909  1
  Fe  Fe212  1  0.749799  0.332256  0.534564  1
  Fe  Fe213  1  0.749310  0.680002  0.473992  1
  Fe  Fe214  1  0.748947  0.914480  0.542230  1
  Fe  Fe215  1  0.749572  0.262115  0.481365  1
  Fe  Fe216  1  0.749499  0.588106  0.512090  1
  Fe  Fe217  1  0.943544  0.971995  0.544303  1
  Fe  Fe218  1  0.941051  0.319791  0.483885  1
  Fe  Fe219  1  0.940492  0.645763  0.514545  1
  Fe  Fe220  1  0.557464  0.949456  0.495860  1
  Fe  Fe221  1  0.557312  0.276145  0.526119  1
  Fe  Fe222  1  0.558133  0.623697  0.466153  1
  Fe  Fe223  1  0.440351  0.118502  0.487037  1
  Fe  Fe224  1  0.441250  0.444463  0.517762  1
  Fe  Fe225  1  0.443680  0.792298  0.457299  1
  Fe  Fe226  1  0.058140  0.140589  0.535413  1
  Fe  Fe227  1  0.057111  0.488134  0.475476  1
  Fe  Fe228  1  0.057430  0.814808  0.505749  1
  Fe  Fe229  1  0.071936  0.048096  0.492153  1
  Fe  Fe230  1  0.072014  0.374514  0.522890  1
  Fe  Fe231  1  0.071487  0.722128  0.462571  1
  Fe  Fe232  1  0.426144  0.879361  0.523312  1
  Fe  Fe233  1  0.427179  0.227047  0.462500  1
  Fe  Fe234  1  0.426964  0.553117  0.493311  1
  Fe  Fe235  1  0.571175  0.042169  0.539039  1
  Fe  Fe236  1  0.571870  0.389739  0.478712  1
  Fe  Fe237  1  0.572052  0.716162  0.509434  1
  Fe  Fe238  1  0.927165  0.211134  0.508298  1
  Fe  Fe239  1  0.927443  0.537192  0.539131  1
  Fe  Fe240  1  0.926199  0.884928  0.478271  1
  Fe  Fe241  1  0.926905  0.042145  0.539025  1
  Fe  Fe242  1  0.927207  0.389766  0.478738  1
  Fe  Fe243  1  0.926647  0.716175  0.509429  1
  Fe  Fe244  1  0.571953  0.211120  0.508313  1
  Fe  Fe245  1  0.571876  0.537227  0.539108  1
  Fe  Fe246  1  0.572094  0.884912  0.478284  1
  Fe  Fe247  1  0.426531  0.048099  0.492157  1
  Fe  Fe248  1  0.427339  0.374535  0.522910  1
  Fe  Fe249  1  0.427226  0.722104  0.462543  1
  Fe  Fe250  1  0.072022  0.879351  0.523325  1
  Fe  Fe251  1  0.071594  0.227070  0.462495  1
  Fe  Fe252  1  0.071761  0.553152  0.493296  1
  Fe  Fe253  1  0.942103  0.928158  0.587064  1
  Fe  Fe254  1  0.943824  0.254959  0.617028  1
  Fe  Fe255  1  0.941070  0.602061  0.556955  1
  Fe  Fe256  1  0.560634  0.951331  0.635804  1
  Fe  Fe257  1  0.558366  0.298530  0.574916  1
  Fe  Fe258  1  0.556412  0.624094  0.605173  1
  Fe  Fe259  1  0.439671  0.118944  0.625729  1
  Fe  Fe260  1  0.442111  0.466897  0.566512  1
  Fe  Fe261  1  0.440217  0.793506  0.596677  1
  Fe  Fe262  1  0.057325  0.097072  0.577880  1
  Fe  Fe263  1  0.057096  0.422815  0.608960  1
  Fe  Fe264  1  0.058209  0.771137  0.548344  1
  Fe  Fe265  1  0.249013  0.920205  0.623081  1
  Fe  Fe266  1  0.249626  0.267370  0.561301  1
  Fe  Fe267  1  0.249846  0.593208  0.592223  1
  Fe  Fe268  1  0.248866  0.963891  0.580324  1
  Fe  Fe269  1  0.249796  0.290404  0.610526  1
  Fe  Fe270  1  0.249440  0.638024  0.549626  1
  Fe  Fe271  1  0.749515  0.127895  0.590971  1
  Fe  Fe272  1  0.749951  0.453855  0.622308  1
  Fe  Fe273  1  0.748949  0.802096  0.561204  1
  Fe  Fe274  1  0.748820  0.083756  0.632947  1
  Fe  Fe275  1  0.749905  0.431057  0.573415  1
  Fe  Fe276  1  0.749366  0.757692  0.603887  1
  Fe  Fe277  1  0.249050  0.993822  0.627889  1
  Fe  Fe278  1  0.249812  0.341847  0.567233  1
  Fe  Fe279  1  0.249594  0.668165  0.597667  1
  Fe  Fe280  1  0.248949  0.890505  0.571990  1
  Fe  Fe281  1  0.249754  0.216877  0.601804  1
  Fe  Fe282  1  0.249892  0.542254  0.632570  1
  Fe  Fe283  1  0.749372  0.053568  0.585193  1
  Fe  Fe284  1  0.749917  0.379762  0.616619  1
  Fe  Fe285  1  0.749236  0.727412  0.556009  1
  Fe  Fe286  1  0.749242  0.178979  0.550678  1
  Fe  Fe287  1  0.749944  0.504918  0.581801  1
  Fe  Fe288  1  0.749569  0.831507  0.612133  1
  Fe  Fe289  1  0.249137  0.062748  0.618336  1
  Fe  Fe290  1  0.249867  0.410720  0.558216  1
  Fe  Fe291  1  0.249260  0.737105  0.588660  1
  Fe  Fe292  1  0.249346  0.154827  0.580164  1
  Fe  Fe293  1  0.249950  0.480501  0.611049  1
  Fe  Fe294  1  0.249036  0.828539  0.551269  1
  Fe  Fe295  1  0.749020  0.984345  0.594621  1
  Fe  Fe296  1  0.749807  0.310759  0.625587  1
  Fe  Fe297  1  0.749533  0.658469  0.565187  1
  Fe  Fe298  1  0.749516  0.893547  0.633324  1
  Fe  Fe299  1  0.749704  0.240779  0.572103  1
  Fe  Fe300  1  0.749875  0.566554  0.602993  1
  Fe  Fe301  1  0.938433  0.951461  0.635969  1
  Fe  Fe302  1  0.941227  0.298524  0.574917  1
  Fe  Fe303  1  0.943049  0.624079  0.605203  1
  Fe  Fe304  1  0.556056  0.928212  0.587041  1
  Fe  Fe305  1  0.555631  0.254952  0.617013  1
  Fe  Fe306  1  0.558092  0.602049  0.556942  1
  Fe  Fe307  1  0.440893  0.097044  0.577818  1
  Fe  Fe308  1  0.442718  0.422813  0.608948  1
  Fe  Fe309  1  0.440137  0.771158  0.548398  1
  Fe  Fe310  1  0.058791  0.119133  0.625612  1
  Fe  Fe311  1  0.057614  0.466884  0.566508  1
  Fe  Fe312  1  0.057090  0.793456  0.596852  1
  Fe  Fe313  1  0.071623  0.026093  0.583128  1
  Fe  Fe314  1  0.072500  0.352996  0.613969  1
  Fe  Fe315  1  0.071840  0.700869  0.553459  1
  Fe  Fe316  1  0.426127  0.858978  0.614961  1
  Fe  Fe317  1  0.427413  0.205723  0.553317  1
  Fe  Fe318  1  0.427535  0.531451  0.584147  1
  Fe  Fe319  1  0.571380  0.021164  0.630492  1
  Fe  Fe320  1  0.572214  0.368492  0.569809  1
  Fe  Fe321  1  0.571383  0.694690  0.600113  1
  Fe  Fe322  1  0.927968  0.189877  0.598935  1
  Fe  Fe323  1  0.926932  0.515553  0.630184  1
  Fe  Fe324  1  0.926409  0.863531  0.569537  1
  Fe  Fe325  1  0.924815  0.020870  0.630180  1
  Fe  Fe326  1  0.927460  0.368498  0.569817  1
  Fe  Fe327  1  0.927801  0.694731  0.600114  1
  Fe  Fe328  1  0.571480  0.189911  0.598925  1
  Fe  Fe329  1  0.572930  0.515557  0.630179  1
  Fe  Fe330  1  0.571175  0.863445  0.569584  1
  Fe  Fe331  1  0.426582  0.026160  0.583099  1
  Fe  Fe332  1  0.427215  0.352994  0.613970  1
  Fe  Fe333  1  0.426907  0.700863  0.553455  1
  Fe  Fe334  1  0.071808  0.859130  0.615065  1
  Fe  Fe335  1  0.071618  0.205706  0.553328  1
  Fe  Fe336  1  0.072054  0.531487  0.584128  1
  Fe  Fe337  1  0.937577  0.907283  0.678791  1
  Fe  Fe338  1  0.932735  0.230540  0.707876  1
  Fe  Fe339  1  0.939688  0.580389  0.647728  1
  Fe  Fe340  1  0.606832  0.934773  0.724914  1
  Fe  Fe341  1  0.560843  0.276583  0.665823  1
  Fe  Fe342  1  0.560527  0.603222  0.696203  1
  Fe  Fe343  1  0.471029  0.103479  0.716645  1
  Fe  Fe344  1  0.441161  0.445076  0.657491  1
  Fe  Fe345  1  0.435714  0.771276  0.686494  1
  Fe  Fe346  1  0.054757  0.076267  0.668717  1
  Fe  Fe347  1  0.054172  0.401680  0.699235  1
  Fe  Fe348  1  0.059871  0.750096  0.639088  1
  Fe  Fe349  1  0.272108  0.899730  0.710640  1
  Fe  Fe350  1  0.249772  0.245807  0.652593  1
  Fe  Fe351  1  0.249870  0.571971  0.682294  1
  Fe  Fe352  1  0.252394  0.943757  0.671074  1
  Fe  Fe353  1  0.249734  0.267601  0.700022  1
  Fe  Fe354  1  0.249858  0.616203  0.640624  1
  Fe  Fe355  1  0.749818  0.106578  0.680565  1
  Fe  Fe356  1  0.749882  0.433536  0.712095  1
  Fe  Fe357  1  0.748812  0.780306  0.651813  1
  Fe  Fe358  1  0.748772  0.063479  0.724148  1
  Fe  Fe359  1  0.749857  0.409965  0.664340  1
  Fe  Fe360  1  0.750451  0.734679  0.694311  1
  Fe  Fe361  1  0.253063  0.974292  0.718927  1
  Fe  Fe362  1  0.249819  0.320399  0.658464  1
  Fe  Fe363  1  0.249962  0.646690  0.688286  1
  Fe  Fe364  1  0.249584  0.869471  0.663054  1
  Fe  Fe365  1  0.249654  0.194570  0.692376  1
  Fe  Fe366  1  0.250013  0.523463  0.724199  1
  Fe  Fe367  1  0.751333  0.032887  0.677906  1
  Fe  Fe368  1  0.749823  0.356796  0.708769  1
  Fe  Fe369  1  0.749739  0.705914  0.646087  1
  Fe  Fe370  1  0.749545  0.157691  0.640835  1
  Fe  Fe371  1  0.749904  0.483352  0.673263  1
  Fe  Fe372  1  0.740990  0.806645  0.698149  1
  Fe  Fe373  1  0.251441  0.043346  0.711416  1
  Fe  Fe374  1  0.249899  0.388894  0.649791  1
  Fe  Fe375  1  0.250010  0.714905  0.678813  1
  Fe  Fe376  1  0.249583  0.133428  0.671077  1
  Fe  Fe377  1  0.249887  0.459621  0.704713  1
  Fe  Fe378  1  0.249439  0.807858  0.642290  1
  Fe  Fe379  1  0.753873  0.964769  0.686870  1
  Fe  Fe380  1  0.749744  0.287960  0.716905  1
  Fe  Fe381  1  0.749930  0.636671  0.655515  1
  Fe  Fe382  1  0.729028  0.869763  0.724523  1
  Fe  Fe383  1  0.749684  0.219211  0.662627  1
  Fe  Fe384  1  0.749944  0.545345  0.694144  1
  Fe  Fe385  1  0.970771  0.924454  0.726152  1
  Fe  Fe386  1  0.938620  0.276583  0.665814  1
  Fe  Fe387  1  0.939502  0.603198  0.696224  1
  Fe  Fe388  1  0.560187  0.907947  0.678574  1
  Fe  Fe389  1  0.566873  0.230518  0.707894  1
  Fe  Fe390  1  0.560118  0.580385  0.647722  1
  Fe  Fe391  1  0.439002  0.076397  0.668027  1
  Fe  Fe392  1  0.445610  0.401688  0.699215  1
  Fe  Fe393  1  0.439094  0.750042  0.639193  1
  Fe  Fe394  1  0.028740  0.103092  0.716438  1
  Fe  Fe395  1  0.058733  0.445076  0.657489  1
  Fe  Fe396  1  0.059884  0.771255  0.686799  1
  Fe  Fe397  1  0.073048  0.005833  0.675085  1
  Fe  Fe398  1  0.075068  0.329009  0.704532  1
  Fe  Fe399  1  0.071835  0.678707  0.643969  1
  Fe  Fe400  1  0.428150  0.835467  0.706433  1
  Fe  Fe401  1  0.427458  0.184758  0.643907  1
  Fe  Fe402  1  0.426307  0.509993  0.674992  1
  Fe  Fe403  1  0.568085  0.002784  0.721076  1
  Fe  Fe404  1  0.574061  0.346983  0.661377  1
  Fe  Fe405  1  0.572561  0.672874  0.690791  1
  Fe  Fe406  1  0.926939  0.167522  0.689796  1
  Fe  Fe407  1  0.927920  0.496358  0.720471  1
  Fe  Fe408  1  0.925687  0.842658  0.660532  1
  Fe  Fe409  1  0.925106  0.000101  0.720181  1
  Fe  Fe410  1  0.925541  0.346990  0.661391  1
  Fe  Fe411  1  0.927322  0.672906  0.690785  1
  Fe  Fe412  1  0.572289  0.167534  0.689854  1
  Fe  Fe413  1  0.571916  0.496379  0.720470  1
  Fe  Fe414  1  0.569372  0.842520  0.660400  1
  Fe  Fe415  1  0.426150  0.007301  0.674810  1
  Fe  Fe416  1  0.424540  0.329032  0.704562  1
  Fe  Fe417  1  0.427551  0.678740  0.643981  1
  Fe  Fe418  1  0.067891  0.837864  0.705859  1
  Fe  Fe419  1  0.072130  0.184752  0.643885  1
  Fe  Fe420  1  0.073524  0.509973  0.674990  1
  C  C421  1  0.750344  0.948402  0.322111  1
  C  C422  1  0.748826  0.276187  0.353399  1
  C  C423  1  0.749636  0.623645  0.293281  1
  C  C424  1  0.749245  0.073043  0.288390  1
  C  C425  1  0.748578  0.400059  0.317721  1
  C  C426  1  0.753167  0.725617  0.349020  1
  C  C427  1  0.249019  0.227188  0.344607  1
  C  C428  1  0.248597  0.578122  0.284128  1
  C  C429  1  0.251725  0.900502  0.314296  1
  C  C430  1  0.248799  0.123739  0.288756  1
  C  C431  1  0.248689  0.450814  0.318637  1
  C  C432  1  0.249636  0.775447  0.348992  1
  C  C433  1  0.046803  0.979216  0.281110  1
  C  C434  1  0.027928  0.306416  0.309252  1
  C  C435  1  0.032512  0.632722  0.341259  1
  C  C436  1  0.463248  0.042479  0.331723  1
  C  C437  1  0.464378  0.368695  0.361383  1
  C  C438  1  0.468364  0.712935  0.301599  1
  C  C439  1  0.534982  0.216240  0.298183  1
  C  C440  1  0.532544  0.542967  0.328492  1
  C  C441  1  0.532808  0.867982  0.357814  1
  C  C442  1  0.964331  0.134430  0.336720  1
  C  C443  1  0.962431  0.484759  0.276788  1
  C  C444  1  0.960384  0.807679  0.305922  1
  C  C445  1  0.962632  0.216272  0.298168  1
  C  C446  1  0.964895  0.542979  0.328496  1
  C  C447  1  0.965401  0.867902  0.357668  1
  C  C448  1  0.533508  0.134420  0.336743  1
  C  C449  1  0.534372  0.484725  0.276802  1
  C  C450  1  0.531293  0.806209  0.306388  1
  C  C451  1  0.458306  0.981981  0.280628  1
  C  C452  1  0.469480  0.306433  0.309250  1
  C  C453  1  0.465620  0.632641  0.341217  1
  C  C454  1  0.033710  0.042557  0.331807  1
  C  C455  1  0.033074  0.368708  0.361398  1
  C  C456  1  0.028951  0.714007  0.300894  1
  C  C457  1  0.750088  0.927369  0.413211  1
  C  C458  1  0.749287  0.254449  0.444197  1
  C  C459  1  0.748745  0.601618  0.384274  1
  C  C460  1  0.749132  0.051817  0.378820  1
  C  C461  1  0.748915  0.378166  0.409281  1
  C  C462  1  0.749632  0.704654  0.439865  1
  C  C463  1  0.249373  0.205405  0.435793  1
  C  C464  1  0.248836  0.552270  0.376176  1
  C  C465  1  0.249443  0.878834  0.405396  1
  C  C466  1  0.249191  0.103119  0.380252  1
  C  C467  1  0.249156  0.428747  0.410140  1
  C  C468  1  0.249301  0.755460  0.441145  1
  C  C469  1  0.032666  0.958829  0.369883  1
  C  C470  1  0.034749  0.286124  0.400246  1
  C  C471  1  0.034387  0.611953  0.431409  1
  C  C472  1  0.464178  0.020293  0.422036  1
  C  C473  1  0.464370  0.346733  0.452568  1
  C  C474  1  0.464914  0.695066  0.392739  1
  C  C475  1  0.534210  0.195504  0.388642  1
  C  C476  1  0.534064  0.521130  0.419502  1
  C  C477  1  0.534467  0.847639  0.449431  1
  C  C478  1  0.963752  0.112634  0.427544  1
  C  C479  1  0.963797  0.460170  0.366769  1
  C  C480  1  0.965745  0.786565  0.397143  1
  C  C481  1  0.964110  0.195504  0.388631  1
  C  C482  1  0.964166  0.521153  0.419498  1
  C  C483  1  0.964083  0.847642  0.449430  1
  C  C484  1  0.534905  0.112652  0.427544  1
  C  C485  1  0.533678  0.460174  0.366780  1
  C  C486  1  0.533171  0.786506  0.397182  1
  C  C487  1  0.465898  0.958996  0.370049  1
  C  C488  1  0.463383  0.286130  0.400239  1
  C  C489  1  0.464227  0.611962  0.431370  1
  C  C490  1  0.034424  0.020273  0.422040  1
  C  C491  1  0.034291  0.346743  0.452586  1
  C  C492  1  0.034189  0.694985  0.392682  1
  C  C493  1  0.749181  0.906498  0.505087  1
  C  C494  1  0.749615  0.233082  0.534938  1
  C  C495  1  0.749186  0.580388  0.474925  1
  C  C496  1  0.749202  0.030293  0.469736  1
  C  C497  1  0.749501  0.356831  0.500418  1
  C  C498  1  0.749401  0.682973  0.531018  1
  C  C499  1  0.249485  0.183871  0.526690  1
  C  C500  1  0.249374  0.531207  0.466662  1
  C  C501  1  0.249044  0.857779  0.496509  1
  C  C502  1  0.249245  0.081291  0.470568  1
  C  C503  1  0.249701  0.407448  0.501206  1
  C  C504  1  0.249370  0.733975  0.531852  1
  C  C505  1  0.032919  0.937862  0.460951  1
  C  C506  1  0.034689  0.264473  0.491297  1
  C  C507  1  0.034421  0.590511  0.522114  1
  C  C508  1  0.463812  0.999069  0.512939  1
  C  C509  1  0.464622  0.325449  0.543632  1
  C  C510  1  0.464823  0.673178  0.483405  1
  C  C511  1  0.534355  0.173760  0.479501  1
  C  C512  1  0.534745  0.499785  0.510332  1
  C  C513  1  0.532672  0.826421  0.540622  1
  C  C514  1  0.964762  0.091090  0.518187  1
  C  C515  1  0.964181  0.438827  0.457986  1
  C  C516  1  0.963918  0.765205  0.488646  1
  C  C517  1  0.964535  0.173762  0.479486  1
  C  C518  1  0.964490  0.499794  0.510329  1
  C  C519  1  0.965366  0.826403  0.540639  1
  C  C520  1  0.533706  0.091093  0.518171  1
  C  C521  1  0.534536  0.438837  0.458003  1
  C  C522  1  0.534502  0.765195  0.488661  1
  C  C523  1  0.465573  0.937857  0.460963  1
  C  C524  1  0.464416  0.264486  0.491277  1
  C  C525  1  0.464559  0.590513  0.522106  1
  C  C526  1  0.034393  0.999069  0.512932  1
  C  C527  1  0.034969  0.325449  0.543636  1
  C  C528  1  0.033786  0.673182  0.483412  1
  C  C529  1  0.748898  0.885437  0.596192  1
  C  C530  1  0.749728  0.212020  0.625426  1
  C  C531  1  0.749604  0.558861  0.565826  1
  C  C532  1  0.749043  0.008818  0.560448  1
  C  C533  1  0.749815  0.335534  0.591493  1
  C  C534  1  0.749685  0.661154  0.621344  1
  C  C535  1  0.249909  0.162645  0.617324  1
  C  C536  1  0.249828  0.509827  0.557423  1
  C  C537  1  0.248269  0.836899  0.588386  1
  C  C538  1  0.248862  0.059612  0.561727  1
  C  C539  1  0.249869  0.386110  0.592350  1
  C  C540  1  0.249644  0.712433  0.622782  1
  C  C541  1  0.034141  0.916640  0.552165  1
  C  C542  1  0.034616  0.243129  0.582119  1
  C  C543  1  0.034928  0.568775  0.612981  1
  C  C544  1  0.465275  0.977761  0.604420  1
  C  C545  1  0.464865  0.304098  0.634856  1
  C  C546  1  0.463955  0.651618  0.574041  1
  C  C547  1  0.534476  0.152313  0.570231  1
  C  C548  1  0.535647  0.478140  0.601385  1
  C  C549  1  0.532657  0.805273  0.631519  1
  C  C550  1  0.964557  0.069273  0.608905  1
  C  C551  1  0.964910  0.417533  0.549049  1
  C  C552  1  0.964211  0.743993  0.579534  1
  C  C553  1  0.964283  0.152342  0.570195  1
  C  C554  1  0.964250  0.478145  0.601386  1
  C  C555  1  0.965734  0.805398  0.631720  1
  C  C556  1  0.533619  0.069216  0.608836  1
  C  C557  1  0.534831  0.417544  0.549056  1
  C  C558  1  0.534381  0.743964  0.579560  1
  C  C559  1  0.463747  0.916638  0.552163  1
  C  C560  1  0.464762  0.243143  0.582104  1
  C  C561  1  0.464814  0.568780  0.612976  1
  C  C562  1  0.032650  0.977708  0.604460  1
  C  C563  1  0.034750  0.304107  0.634857  1
  C  C564  1  0.035079  0.651632  0.574061  1
  C  C565  1  0.746646  0.863742  0.687291  1
  C  C566  1  0.749907  0.186157  0.717460  1
  C  C567  1  0.749909  0.537098  0.657016  1
  C  C568  1  0.748740  0.988840  0.652594  1
  C  C569  1  0.749760  0.313460  0.683000  1
  C  C570  1  0.750024  0.640561  0.712881  1
  C  C571  1  0.249333  0.140594  0.708293  1
  C  C572  1  0.249951  0.488092  0.648221  1
  C  C573  1  0.247381  0.815827  0.679442  1
  C  C574  1  0.245399  0.038612  0.652603  1
  C  C575  1  0.249860  0.364212  0.683915  1
  C  C576  1  0.249876  0.691243  0.713222  1
  C  C577  1  0.033014  0.896372  0.643933  1
  C  C578  1  0.033553  0.221291  0.673090  1
  C  C579  1  0.036130  0.548018  0.703442  1
  C  C580  1  0.467625  0.958060  0.695241  1
  C  C581  1  0.463753  0.279508  0.724825  1
  C  C582  1  0.465385  0.629855  0.664886  1
  C  C583  1  0.533168  0.131585  0.660386  1
  C  C584  1  0.529140  0.457864  0.692376  1
  C  C585  1  0.539409  0.782224  0.720914  1
  C  C586  1  0.969988  0.050231  0.700692  1
  C  C587  1  0.965544  0.395571  0.640250  1
  C  C588  1  0.964877  0.721703  0.669786  1
  C  C589  1  0.966157  0.131564  0.660333  1
  C  C590  1  0.970646  0.457849  0.692372  1
  C  C591  1  0.952031  0.784959  0.720617  1
  C  C592  1  0.530524  0.051357  0.700005  1
  C  C593  1  0.534232  0.395573  0.640240  1
  C  C594  1  0.535305  0.721764  0.669873  1
  C  C595  1  0.465648  0.896274  0.643780  1
  C  C596  1  0.465871  0.221298  0.673115  1
  C  C597  1  0.463750  0.548054  0.703434  1
  C  C598  1  0.038288  0.956524  0.695712  1
  C  C599  1  0.035743  0.279522  0.724827  1
  C  C600  1  0.034437  0.629846  0.664904  1
