# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.08410650
_cell_length_b   17.26356471
_cell_length_c   46.20098157
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.37511969
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe450 C180'
_cell_volume   11203.4259278
_cell_formula_units_Z   90
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  0.387053  0.308149  0.342310  1
  Fe  Fe2  1  0.094840  0.002412  0.312054  1
  Fe  Fe3  1  0.806269  0.699129  0.281521  1
  Fe  Fe4  1  0.387053  0.974816  0.342310  1
  Fe  Fe5  1  0.094840  0.669079  0.312054  1
  Fe  Fe6  1  0.387053  0.641482  0.342310  1
  Fe  Fe7  1  0.806269  0.365796  0.281521  1
  Fe  Fe8  1  0.094840  0.335745  0.312054  1
  Fe  Fe9  1  0.806269  0.032463  0.281521  1
  Fe  Fe10  1  0.064803  0.193181  0.325302  1
  Fe  Fe11  1  0.772898  0.886185  0.294414  1
  Fe  Fe12  1  0.356400  0.502656  0.355622  1
  Fe  Fe13  1  0.064803  0.859848  0.325302  1
  Fe  Fe14  1  0.772898  0.552852  0.294414  1
  Fe  Fe15  1  0.064803  0.526515  0.325302  1
  Fe  Fe16  1  0.356400  0.169323  0.355622  1
  Fe  Fe17  1  0.772898  0.219519  0.294414  1
  Fe  Fe18  1  0.356400  0.835989  0.355622  1
  Fe  Fe19  1  0.425033  0.437424  0.276275  1
  Fe  Fe20  1  0.993741  0.058858  0.337537  1
  Fe  Fe21  1  0.702841  0.752600  0.308017  1
  Fe  Fe22  1  0.425033  0.104091  0.276275  1
  Fe  Fe23  1  0.993741  0.725525  0.337537  1
  Fe  Fe24  1  0.425033  0.770757  0.276275  1
  Fe  Fe25  1  0.702841  0.419267  0.308017  1
  Fe  Fe26  1  0.993741  0.392191  0.337537  1
  Fe  Fe27  1  0.702841  0.085934  0.308017  1
  Fe  Fe28  1  0.284677  0.408664  0.315416  1
  Fe  Fe29  1  0.986602  0.103325  0.284768  1
  Fe  Fe30  1  0.577556  0.718437  0.345906  1
  Fe  Fe31  1  0.284677  0.075331  0.315416  1
  Fe  Fe32  1  0.986602  0.769991  0.284768  1
  Fe  Fe33  1  0.284677  0.741998  0.315416  1
  Fe  Fe34  1  0.577556  0.385104  0.345906  1
  Fe  Fe35  1  0.986602  0.436658  0.284768  1
  Fe  Fe36  1  0.577556  0.051770  0.345906  1
  Fe  Fe37  1  0.166633  0.094601  0.351985  1
  Fe  Fe38  1  0.873927  0.787210  0.321645  1
  Fe  Fe39  1  0.583306  0.479006  0.293084  1
  Fe  Fe40  1  0.166633  0.761268  0.351985  1
  Fe  Fe41  1  0.873927  0.453876  0.321645  1
  Fe  Fe42  1  0.166633  0.427935  0.351985  1
  Fe  Fe43  1  0.583306  0.145673  0.293084  1
  Fe  Fe44  1  0.873927  0.120543  0.321645  1
  Fe  Fe45  1  0.583306  0.812340  0.293084  1
  Fe  Fe46  1  0.491338  0.339959  0.300885  1
  Fe  Fe47  1  0.076700  0.957743  0.361708  1
  Fe  Fe48  1  0.784118  0.650438  0.331746  1
  Fe  Fe49  1  0.491338  0.006626  0.300885  1
  Fe  Fe50  1  0.076700  0.624410  0.361708  1
  Fe  Fe51  1  0.491338  0.673293  0.300885  1
  Fe  Fe52  1  0.784118  0.317105  0.331746  1
  Fe  Fe53  1  0.076700  0.291077  0.361708  1
  Fe  Fe54  1  0.784118  0.983771  0.331746  1
  Fe  Fe55  1  0.247651  0.270362  0.310334  1
  Fe  Fe56  1  0.950676  0.959896  0.279801  1
  Fe  Fe57  1  0.539525  0.579087  0.340874  1
  Fe  Fe58  1  0.247651  0.937028  0.310334  1
  Fe  Fe59  1  0.950676  0.626562  0.279801  1
  Fe  Fe60  1  0.247651  0.603695  0.310334  1
  Fe  Fe61  1  0.539525  0.245753  0.340874  1
  Fe  Fe62  1  0.950676  0.293229  0.279801  1
  Fe  Fe63  1  0.539525  0.912420  0.340874  1
  Fe  Fe64  1  0.087112  0.241732  0.277257  1
  Fe  Fe65  1  0.667390  0.855315  0.337320  1
  Fe  Fe66  1  0.371740  0.542059  0.304048  1
  Fe  Fe67  1  0.087112  0.908399  0.277257  1
  Fe  Fe68  1  0.667390  0.521981  0.337320  1
  Fe  Fe69  1  0.087112  0.575065  0.277257  1
  Fe  Fe70  1  0.371740  0.208725  0.304048  1
  Fe  Fe71  1  0.667390  0.188648  0.337320  1
  Fe  Fe72  1  0.371740  0.875392  0.304048  1
  Fe  Fe73  1  0.164015  0.135889  0.299966  1
  Fe  Fe74  1  0.749314  0.754741  0.360317  1
  Fe  Fe75  1  0.456355  0.444897  0.330739  1
  Fe  Fe76  1  0.164015  0.802555  0.299966  1
  Fe  Fe77  1  0.749314  0.421408  0.360317  1
  Fe  Fe78  1  0.164015  0.469222  0.299966  1
  Fe  Fe79  1  0.456355  0.111564  0.330739  1
  Fe  Fe80  1  0.749314  0.088074  0.360317  1
  Fe  Fe81  1  0.456355  0.778231  0.330739  1
  Fe  Fe82  1  0.203930  0.232422  0.357047  1
  Fe  Fe83  1  0.911543  0.924910  0.327171  1
  Fe  Fe84  1  0.615716  0.619397  0.296187  1
  Fe  Fe85  1  0.203930  0.899088  0.357047  1
  Fe  Fe86  1  0.911543  0.591577  0.327171  1
  Fe  Fe87  1  0.203930  0.565755  0.357047  1
  Fe  Fe88  1  0.615716  0.286064  0.296187  1
  Fe  Fe89  1  0.911543  0.258244  0.327171  1
  Fe  Fe90  1  0.615716  0.952730  0.296187  1
  Fe  Fe91  1  0.264910  0.234538  0.432885  1
  Fe  Fe92  1  0.972115  0.925964  0.402796  1
  Fe  Fe93  1  0.679439  0.618747  0.372646  1
  Fe  Fe94  1  0.264910  0.901204  0.432885  1
  Fe  Fe95  1  0.972115  0.592631  0.402796  1
  Fe  Fe96  1  0.264910  0.567871  0.432885  1
  Fe  Fe97  1  0.679439  0.285414  0.372646  1
  Fe  Fe98  1  0.972115  0.259298  0.402796  1
  Fe  Fe99  1  0.679439  0.952081  0.372646  1
  Fe  Fe100  1  0.941503  0.119650  0.415989  1
  Fe  Fe101  1  0.649503  0.811110  0.385794  1
  Fe  Fe102  1  0.234242  0.428138  0.446219  1
  Fe  Fe103  1  0.941503  0.786317  0.415989  1
  Fe  Fe104  1  0.649503  0.477777  0.385794  1
  Fe  Fe105  1  0.941503  0.452984  0.415989  1
  Fe  Fe106  1  0.234242  0.094804  0.446219  1
  Fe  Fe107  1  0.649503  0.144444  0.385794  1
  Fe  Fe108  1  0.234242  0.761471  0.446219  1
  Fe  Fe109  1  0.286759  0.366420  0.367303  1
  Fe  Fe110  1  0.872332  0.983738  0.427798  1
  Fe  Fe111  1  0.580406  0.675469  0.397765  1
  Fe  Fe112  1  0.286759  0.033087  0.367303  1
  Fe  Fe113  1  0.872332  0.650405  0.427798  1
  Fe  Fe114  1  0.286759  0.699753  0.367303  1
  Fe  Fe115  1  0.580406  0.342135  0.397765  1
  Fe  Fe116  1  0.872332  0.317072  0.427798  1
  Fe  Fe117  1  0.580406  0.008802  0.397765  1
  Fe  Fe118  1  0.162460  0.334564  0.405890  1
  Fe  Fe119  1  0.870212  0.026429  0.375829  1
  Fe  Fe120  1  0.455405  0.643444  0.436320  1
  Fe  Fe121  1  0.162460  0.001230  0.405890  1
  Fe  Fe122  1  0.870212  0.693096  0.375829  1
  Fe  Fe123  1  0.162460  0.667897  0.405890  1
  Fe  Fe124  1  0.455405  0.310111  0.436320  1
  Fe  Fe125  1  0.870212  0.359762  0.375829  1
  Fe  Fe126  1  0.455405  0.976777  0.436320  1
  Fe  Fe127  1  0.043784  0.019527  0.442948  1
  Fe  Fe128  1  0.751526  0.711303  0.412650  1
  Fe  Fe129  1  0.458238  0.402105  0.382749  1
  Fe  Fe130  1  0.043784  0.686194  0.442948  1
  Fe  Fe131  1  0.751526  0.377970  0.412650  1
  Fe  Fe132  1  0.043784  0.352860  0.442948  1
  Fe  Fe133  1  0.458238  0.068772  0.382749  1
  Fe  Fe134  1  0.751526  0.044637  0.412650  1
  Fe  Fe135  1  0.458238  0.735439  0.382749  1
  Fe  Fe136  1  0.369602  0.266668  0.392090  1
  Fe  Fe137  1  0.954859  0.883791  0.452405  1
  Fe  Fe138  1  0.662028  0.575055  0.422052  1
  Fe  Fe139  1  0.369602  0.933335  0.392090  1
  Fe  Fe140  1  0.954859  0.550458  0.452405  1
  Fe  Fe141  1  0.369602  0.600002  0.392090  1
  Fe  Fe142  1  0.662028  0.241721  0.422052  1
  Fe  Fe143  1  0.954859  0.217124  0.452405  1
  Fe  Fe144  1  0.662028  0.908388  0.422052  1
  Fe  Fe145  1  0.125005  0.195783  0.401128  1
  Fe  Fe146  1  0.832395  0.887429  0.370777  1
  Fe  Fe147  1  0.417745  0.504432  0.431338  1
  Fe  Fe148  1  0.125005  0.862450  0.401128  1
  Fe  Fe149  1  0.832395  0.554096  0.370777  1
  Fe  Fe150  1  0.125005  0.529116  0.401128  1
  Fe  Fe151  1  0.417745  0.171099  0.431338  1
  Fe  Fe152  1  0.832395  0.220763  0.370777  1
  Fe  Fe153  1  0.417745  0.837766  0.431338  1
  Fe  Fe154  1  0.959278  0.162022  0.366146  1
  Fe  Fe155  1  0.544584  0.779217  0.427013  1
  Fe  Fe156  1  0.251339  0.470411  0.396365  1
  Fe  Fe157  1  0.959278  0.828689  0.366146  1
  Fe  Fe158  1  0.544584  0.445884  0.427013  1
  Fe  Fe159  1  0.959278  0.495356  0.366146  1
  Fe  Fe160  1  0.251339  0.137078  0.396365  1
  Fe  Fe161  1  0.544584  0.112551  0.427013  1
  Fe  Fe162  1  0.251339  0.803745  0.396365  1
  Fe  Fe163  1  0.040897  0.061713  0.390947  1
  Fe  Fe164  1  0.626397  0.679067  0.451336  1
  Fe  Fe165  1  0.333694  0.370469  0.421173  1
  Fe  Fe166  1  0.040897  0.728379  0.390947  1
  Fe  Fe167  1  0.626397  0.345734  0.451336  1
  Fe  Fe168  1  0.040897  0.395046  0.390947  1
  Fe  Fe169  1  0.333694  0.037135  0.421173  1
  Fe  Fe170  1  0.626397  0.012400  0.451336  1
  Fe  Fe171  1  0.333694  0.703802  0.421173  1
  Fe  Fe172  1  0.081374  0.158281  0.447834  1
  Fe  Fe173  1  0.788896  0.849988  0.417541  1
  Fe  Fe174  1  0.495788  0.541508  0.387706  1
  Fe  Fe175  1  0.081374  0.824948  0.447834  1
  Fe  Fe176  1  0.788896  0.516654  0.417541  1
  Fe  Fe177  1  0.081374  0.491614  0.447834  1
  Fe  Fe178  1  0.495788  0.208174  0.387706  1
  Fe  Fe179  1  0.788896  0.183321  0.417541  1
  Fe  Fe180  1  0.495788  0.874841  0.387706  1
  Fe  Fe181  1  0.142647  0.160098  0.523542  1
  Fe  Fe182  1  0.850042  0.851703  0.493339  1
  Fe  Fe183  1  0.557359  0.543165  0.463227  1
  Fe  Fe184  1  0.142647  0.826764  0.523542  1
  Fe  Fe185  1  0.850042  0.518370  0.493339  1
  Fe  Fe186  1  0.142647  0.493431  0.523542  1
  Fe  Fe187  1  0.557359  0.209832  0.463227  1
  Fe  Fe188  1  0.850042  0.185037  0.493339  1
  Fe  Fe189  1  0.557359  0.876498  0.463227  1
  Fe  Fe190  1  0.819490  0.045052  0.506661  1
  Fe  Fe191  1  0.526885  0.736657  0.476458  1
  Fe  Fe192  1  0.112173  0.353590  0.536773  1
  Fe  Fe193  1  0.819490  0.711718  0.506661  1
  Fe  Fe194  1  0.526885  0.403324  0.476458  1
  Fe  Fe195  1  0.819490  0.378385  0.506661  1
  Fe  Fe196  1  0.112173  0.020257  0.536773  1
  Fe  Fe197  1  0.526885  0.069991  0.476458  1
  Fe  Fe198  1  0.112173  0.686923  0.536773  1
  Fe  Fe199  1  0.165523  0.292210  0.458040  1
  Fe  Fe200  1  0.750631  0.909169  0.518477  1
  Fe  Fe201  1  0.457896  0.600787  0.488288  1
  Fe  Fe202  1  0.165523  0.958877  0.458040  1
  Fe  Fe203  1  0.750631  0.575836  0.518477  1
  Fe  Fe204  1  0.165523  0.625544  0.458040  1
  Fe  Fe205  1  0.457896  0.267454  0.488288  1
  Fe  Fe206  1  0.750631  0.242503  0.518477  1
  Fe  Fe207  1  0.457896  0.934121  0.488288  1
  Fe  Fe208  1  0.040483  0.260227  0.496633  1
  Fe  Fe209  1  0.747775  0.951729  0.466333  1
  Fe  Fe210  1  0.333252  0.568794  0.526824  1
  Fe  Fe211  1  0.040483  0.926894  0.496633  1
  Fe  Fe212  1  0.747775  0.618396  0.466333  1
  Fe  Fe213  1  0.040483  0.593560  0.496633  1
  Fe  Fe214  1  0.333252  0.235460  0.526824  1
  Fe  Fe215  1  0.747775  0.285062  0.466333  1
  Fe  Fe216  1  0.333252  0.902127  0.526824  1
  Fe  Fe217  1  0.921757  0.945026  0.533667  1
  Fe  Fe218  1  0.629049  0.636528  0.503367  1
  Fe  Fe219  1  0.336280  0.327961  0.473176  1
  Fe  Fe220  1  0.921757  0.611692  0.533667  1
  Fe  Fe221  1  0.629049  0.303195  0.503367  1
  Fe  Fe222  1  0.921757  0.278359  0.533667  1
  Fe  Fe223  1  0.336280  0.994628  0.473176  1
  Fe  Fe224  1  0.629049  0.969861  0.503367  1
  Fe  Fe225  1  0.336280  0.661295  0.473176  1
  Fe  Fe226  1  0.247369  0.192154  0.482602  1
  Fe  Fe227  1  0.832691  0.809125  0.543074  1
  Fe  Fe228  1  0.540181  0.500780  0.512816  1
  Fe  Fe229  1  0.247369  0.858821  0.482602  1
  Fe  Fe230  1  0.832691  0.475791  0.543074  1
  Fe  Fe231  1  0.247369  0.525488  0.482602  1
  Fe  Fe232  1  0.540181  0.167446  0.512816  1
  Fe  Fe233  1  0.832691  0.142458  0.543074  1
  Fe  Fe234  1  0.540181  0.834113  0.512816  1
  Fe  Fe235  1  0.002843  0.121351  0.491722  1
  Fe  Fe236  1  0.710369  0.812862  0.461534  1
  Fe  Fe237  1  0.295598  0.429841  0.521920  1
  Fe  Fe238  1  0.002843  0.788018  0.491722  1
  Fe  Fe239  1  0.710369  0.479529  0.461534  1
  Fe  Fe240  1  0.002843  0.454684  0.491722  1
  Fe  Fe241  1  0.295598  0.096508  0.521920  1
  Fe  Fe242  1  0.710369  0.146196  0.461534  1
  Fe  Fe243  1  0.295598  0.763175  0.521920  1
  Fe  Fe244  1  0.836841  0.087630  0.456926  1
  Fe  Fe245  1  0.422163  0.704601  0.517398  1
  Fe  Fe246  1  0.129351  0.395975  0.487184  1
  Fe  Fe247  1  0.836841  0.754297  0.456926  1
  Fe  Fe248  1  0.422163  0.371267  0.517398  1
  Fe  Fe249  1  0.836841  0.420964  0.456926  1
  Fe  Fe250  1  0.129351  0.062642  0.487184  1
  Fe  Fe251  1  0.422163  0.037934  0.517398  1
  Fe  Fe252  1  0.129351  0.729309  0.487184  1
  Fe  Fe253  1  0.918902  0.987586  0.481523  1
  Fe  Fe254  1  0.504009  0.604545  0.541960  1
  Fe  Fe255  1  0.211637  0.295968  0.511712  1
  Fe  Fe256  1  0.918902  0.654252  0.481523  1
  Fe  Fe257  1  0.504009  0.271211  0.541960  1
  Fe  Fe258  1  0.918902  0.320919  0.481523  1
  Fe  Fe259  1  0.211637  0.962634  0.511712  1
  Fe  Fe260  1  0.504009  0.937878  0.541960  1
  Fe  Fe261  1  0.211637  0.629301  0.511712  1
  Fe  Fe262  1  0.959163  0.083892  0.538466  1
  Fe  Fe263  1  0.666689  0.775404  0.508278  1
  Fe  Fe264  1  0.373934  0.466914  0.478080  1
  Fe  Fe265  1  0.959163  0.750559  0.538466  1
  Fe  Fe266  1  0.666689  0.442071  0.508278  1
  Fe  Fe267  1  0.959163  0.417226  0.538466  1
  Fe  Fe268  1  0.373934  0.133580  0.478080  1
  Fe  Fe269  1  0.666689  0.108737  0.508278  1
  Fe  Fe270  1  0.373934  0.800247  0.478080  1
  Fe  Fe271  1  0.020029  0.085645  0.614206  1
  Fe  Fe272  1  0.728029  0.777105  0.584011  1
  Fe  Fe273  1  0.435290  0.468617  0.553781  1
  Fe  Fe274  1  0.020029  0.752311  0.614206  1
  Fe  Fe275  1  0.728029  0.443771  0.584011  1
  Fe  Fe276  1  0.020029  0.418978  0.614206  1
  Fe  Fe277  1  0.435290  0.135284  0.553781  1
  Fe  Fe278  1  0.728029  0.110438  0.584011  1
  Fe  Fe279  1  0.435290  0.801951  0.553781  1
  Fe  Fe280  1  0.697417  0.970790  0.597204  1
  Fe  Fe281  1  0.404622  0.662217  0.567115  1
  Fe  Fe282  1  0.990093  0.278008  0.627354  1
  Fe  Fe283  1  0.697417  0.637457  0.597204  1
  Fe  Fe284  1  0.404622  0.328884  0.567115  1
  Fe  Fe285  1  0.697417  0.304124  0.597204  1
  Fe  Fe286  1  0.990093  0.944674  0.627354  1
  Fe  Fe287  1  0.404622  0.995551  0.567115  1
  Fe  Fe288  1  0.990093  0.611341  0.627354  1
  Fe  Fe289  1  0.043135  0.217688  0.548664  1
  Fe  Fe290  1  0.628635  0.835042  0.609053  1
  Fe  Fe291  1  0.335838  0.526286  0.578827  1
  Fe  Fe292  1  0.043135  0.884355  0.548664  1
  Fe  Fe293  1  0.628635  0.501709  0.609053  1
  Fe  Fe294  1  0.043135  0.551021  0.548664  1
  Fe  Fe295  1  0.335838  0.192953  0.578827  1
  Fe  Fe296  1  0.628635  0.168376  0.609053  1
  Fe  Fe297  1  0.335838  0.859620  0.578827  1
  Fe  Fe298  1  0.918006  0.185452  0.587350  1
  Fe  Fe299  1  0.625748  0.877228  0.557052  1
  Fe  Fe300  1  0.211294  0.494649  0.617251  1
  Fe  Fe301  1  0.918006  0.852118  0.587350  1
  Fe  Fe302  1  0.625748  0.543895  0.557052  1
  Fe  Fe303  1  0.918006  0.518785  0.587350  1
  Fe  Fe304  1  0.211294  0.161316  0.617251  1
  Fe  Fe305  1  0.625748  0.210561  0.557052  1
  Fe  Fe306  1  0.211294  0.827983  0.617251  1
  Fe  Fe307  1  0.799320  0.870326  0.624171  1
  Fe  Fe308  1  0.507072  0.562191  0.594110  1
  Fe  Fe309  1  0.214127  0.253311  0.563680  1
  Fe  Fe310  1  0.799320  0.536993  0.624171  1
  Fe  Fe311  1  0.507072  0.228858  0.594110  1
  Fe  Fe312  1  0.799320  0.203659  0.624171  1
  Fe  Fe313  1  0.214127  0.919977  0.563680  1
  Fe  Fe314  1  0.507072  0.895525  0.594110  1
  Fe  Fe315  1  0.214127  0.586644  0.563680  1
  Fe  Fe316  1  0.124948  0.117538  0.572987  1
  Fe  Fe317  1  0.710254  0.734733  0.633854  1
  Fe  Fe318  1  0.418194  0.426344  0.603635  1
  Fe  Fe319  1  0.124948  0.784204  0.572987  1
  Fe  Fe320  1  0.710254  0.401399  0.633854  1
  Fe  Fe321  1  0.124948  0.450871  0.572987  1
  Fe  Fe322  1  0.418194  0.093010  0.603635  1
  Fe  Fe323  1  0.710254  0.068066  0.633854  1
  Fe  Fe324  1  0.418194  0.759677  0.603635  1
  Fe  Fe325  1  0.880636  0.046767  0.582459  1
  Fe  Fe326  1  0.588158  0.738474  0.552166  1
  Fe  Fe327  1  0.173744  0.355247  0.612294  1
  Fe  Fe328  1  0.880636  0.713434  0.582459  1
  Fe  Fe329  1  0.588158  0.405140  0.552166  1
  Fe  Fe330  1  0.880636  0.380101  0.582459  1
  Fe  Fe331  1  0.173744  0.021914  0.612294  1
  Fe  Fe332  1  0.588158  0.071807  0.552166  1
  Fe  Fe333  1  0.173744  0.688581  0.612294  1
  Fe  Fe334  1  0.714673  0.012964  0.547595  1
  Fe  Fe335  1  0.299931  0.630087  0.607910  1
  Fe  Fe336  1  0.007504  0.321700  0.577948  1
  Fe  Fe337  1  0.714673  0.679631  0.547595  1
  Fe  Fe338  1  0.299931  0.296753  0.607910  1
  Fe  Fe339  1  0.714673  0.346297  0.547595  1
  Fe  Fe340  1  0.007504  0.988367  0.577948  1
  Fe  Fe341  1  0.299931  0.963420  0.607910  1
  Fe  Fe342  1  0.007504  0.655034  0.577948  1
  Fe  Fe343  1  0.797200  0.913017  0.572202  1
  Fe  Fe344  1  0.382773  0.530335  0.632697  1
  Fe  Fe345  1  0.089126  0.221286  0.602235  1
  Fe  Fe346  1  0.797200  0.579683  0.572202  1
  Fe  Fe347  1  0.382773  0.197001  0.632697  1
  Fe  Fe348  1  0.797200  0.246350  0.572202  1
  Fe  Fe349  1  0.089126  0.887953  0.602235  1
  Fe  Fe350  1  0.382773  0.863668  0.632697  1
  Fe  Fe351  1  0.089126  0.554620  0.602235  1
  Fe  Fe352  1  0.837137  0.009326  0.629223  1
  Fe  Fe353  1  0.544527  0.700972  0.598872  1
  Fe  Fe354  1  0.251787  0.392323  0.568662  1
  Fe  Fe355  1  0.837137  0.675992  0.629223  1
  Fe  Fe356  1  0.544527  0.367639  0.598872  1
  Fe  Fe357  1  0.837137  0.342659  0.629223  1
  Fe  Fe358  1  0.251787  0.058989  0.568662  1
  Fe  Fe359  1  0.544527  0.034305  0.598872  1
  Fe  Fe360  1  0.251787  0.725656  0.568662  1
  Fe  Fe361  1  0.896634  0.010570  0.705586  1
  Fe  Fe362  1  0.604729  0.703573  0.674698  1
  Fe  Fe363  1  0.313133  0.394099  0.644378  1
  Fe  Fe364  1  0.896634  0.677236  0.705586  1
  Fe  Fe365  1  0.604730  0.370240  0.674698  1
  Fe  Fe366  1  0.896634  0.343903  0.705586  1
  Fe  Fe367  1  0.313133  0.060766  0.644378  1
  Fe  Fe368  1  0.604729  0.036907  0.674698  1
  Fe  Fe369  1  0.313133  0.727432  0.644378  1
  Fe  Fe370  1  0.574692  0.894343  0.687946  1
  Fe  Fe371  1  0.282479  0.588606  0.657690  1
  Fe  Fe372  1  0.863263  0.197626  0.718479  1
  Fe  Fe373  1  0.574692  0.561009  0.687946  1
  Fe  Fe374  1  0.282479  0.255273  0.657690  1
  Fe  Fe375  1  0.574692  0.227676  0.687946  1
  Fe  Fe376  1  0.863263  0.864292  0.718479  1
  Fe  Fe377  1  0.282479  0.921939  0.657690  1
  Fe  Fe378  1  0.863263  0.530959  0.718479  1
  Fe  Fe379  1  0.920218  0.142014  0.639683  1
  Fe  Fe380  1  0.505517  0.760866  0.700034  1
  Fe  Fe381  1  0.213177  0.451857  0.669261  1
  Fe  Fe382  1  0.920218  0.808681  0.639683  1
  Fe  Fe383  1  0.505517  0.427533  0.700034  1
  Fe  Fe384  1  0.920218  0.475347  0.639683  1
  Fe  Fe385  1  0.213177  0.118524  0.669261  1
  Fe  Fe386  1  0.505517  0.094199  0.700034  1
  Fe  Fe387  1  0.213177  0.785191  0.669261  1
  Fe  Fe388  1  0.795605  0.109545  0.678355  1
  Fe  Fe389  1  0.502899  0.802153  0.648015  1
  Fe  Fe390  1  0.086226  0.417749  0.706916  1
  Fe  Fe391  1  0.795605  0.776212  0.678355  1
  Fe  Fe392  1  0.502899  0.468820  0.648015  1
  Fe  Fe393  1  0.795605  0.442878  0.678355  1
  Fe  Fe394  1  0.086226  0.084415  0.706916  1
  Fe  Fe395  1  0.502899  0.135487  0.648015  1
  Fe  Fe396  1  0.086226  0.751082  0.706916  1
  Fe  Fe397  1  0.682930  0.793430  0.715232  1
  Fe  Fe398  1  0.384855  0.488090  0.684584  1
  Fe  Fe399  1  0.091976  0.178318  0.654094  1
  Fe  Fe400  1  0.682930  0.460097  0.715232  1
  Fe  Fe401  1  0.384855  0.154757  0.684584  1
  Fe  Fe402  1  0.682930  0.126764  0.715232  1
  Fe  Fe403  1  0.091976  0.844985  0.654094  1
  Fe  Fe404  1  0.384855  0.821424  0.684584  1
  Fe  Fe405  1  0.091976  0.511651  0.654094  1
  Fe  Fe406  1  0.002142  0.041440  0.662680  1
  Fe  Fe407  1  0.582420  0.655023  0.722743  1
  Fe  Fe408  1  0.297792  0.354696  0.695952  1
  Fe  Fe409  1  0.002142  0.708107  0.662680  1
  Fe  Fe410  1  0.582420  0.321689  0.722743  1
  Fe  Fe411  1  0.002142  0.374774  0.662680  1
  Fe  Fe412  1  0.297792  0.021363  0.695952  1
  Fe  Fe413  1  0.582420  0.988356  0.722743  1
  Fe  Fe414  1  0.297792  0.688030  0.695952  1
  Fe  Fe415  1  0.757989  0.971844  0.672829  1
  Fe  Fe416  1  0.465603  0.664333  0.642953  1
  Fe  Fe417  1  0.053816  0.277358  0.703813  1
  Fe  Fe418  1  0.757989  0.638511  0.672829  1
  Fe  Fe419  1  0.465603  0.331000  0.642953  1
  Fe  Fe420  1  0.757989  0.305178  0.672829  1
  Fe  Fe421  1  0.053816  0.944025  0.703813  1
  Fe  Fe422  1  0.465603  0.997667  0.642953  1
  Fe  Fe423  1  0.053816  0.610691  0.703813  1
  Fe  Fe424  1  0.592832  0.939012  0.638292  1
  Fe  Fe425  1  0.178194  0.556795  0.699115  1
  Fe  Fe426  1  0.885414  0.246317  0.668254  1
  Fe  Fe427  1  0.592832  0.605678  0.638292  1
  Fe  Fe428  1  0.178194  0.223462  0.699115  1
  Fe  Fe429  1  0.592832  0.272345  0.638292  1
  Fe  Fe430  1  0.885414  0.912983  0.668254  1
  Fe  Fe431  1  0.178194  0.890129  0.699115  1
  Fe  Fe432  1  0.885414  0.579650  0.668254  1
  Fe  Fe433  1  0.675791  0.837897  0.662463  1
  Fe  Fe434  1  0.244499  0.459331  0.723725  1
  Fe  Fe435  1  0.966691  0.144155  0.691983  1
  Fe  Fe436  1  0.675791  0.504563  0.662463  1
  Fe  Fe437  1  0.244499  0.125998  0.723725  1
  Fe  Fe438  1  0.675791  0.171230  0.662463  1
  Fe  Fe439  1  0.966691  0.810821  0.691983  1
  Fe  Fe440  1  0.244499  0.792664  0.723725  1
  Fe  Fe441  1  0.966691  0.477488  0.691983  1
  Fe  Fe442  1  0.718856  0.936859  0.720199  1
  Fe  Fe443  1  0.421882  0.626393  0.689666  1
  Fe  Fe444  1  0.130007  0.317668  0.659126  1
  Fe  Fe445  1  0.718857  0.603526  0.720199  1
  Fe  Fe446  1  0.421882  0.293060  0.689666  1
  Fe  Fe447  1  0.718856  0.270192  0.720199  1
  Fe  Fe448  1  0.130007  0.984335  0.659126  1
  Fe  Fe449  1  0.421882  0.959726  0.689666  1
  Fe  Fe450  1  0.130007  0.651002  0.659126  1
  C  C451  1  0.371989  0.354784  0.305705  1
  C  C452  1  0.072976  0.047774  0.275930  1
  C  C453  1  0.663611  0.663620  0.335767  1
  C  C454  1  0.371988  0.021451  0.305705  1
  C  C455  1  0.072976  0.714441  0.275930  1
  C  C456  1  0.371988  0.688118  0.305705  1
  C  C457  1  0.663611  0.330287  0.335767  1
  C  C458  1  0.072976  0.381108  0.275930  1
  C  C459  1  0.663611  0.996953  0.335767  1
  C  C460  1  0.261813  0.175769  0.328870  1
  C  C461  1  0.970354  0.868648  0.298983  1
  C  C462  1  0.552788  0.484990  0.360047  1
  C  C463  1  0.261814  0.842436  0.328870  1
  C  C464  1  0.970354  0.535315  0.298983  1
  C  C465  1  0.261813  0.509102  0.328870  1
  C  C466  1  0.552788  0.151657  0.360047  1
  C  C467  1  0.970354  0.201981  0.298983  1
  C  C468  1  0.552788  0.818323  0.360047  1
  C  C469  1  0.189586  0.326523  0.338201  1
  C  C470  1  0.897090  0.018924  0.308296  1
  C  C471  1  0.606426  0.717076  0.278556  1
  C  C472  1  0.189586  0.993190  0.338201  1
  C  C473  1  0.897090  0.685590  0.308296  1
  C  C474  1  0.189586  0.659856  0.338201  1
  C  C475  1  0.606426  0.383743  0.278556  1
  C  C476  1  0.897090  0.352257  0.308296  1
  C  C477  1  0.606426  0.050410  0.278556  1
  C  C478  1  0.079600  0.148300  0.362265  1
  C  C479  1  0.786614  0.841004  0.331473  1
  C  C480  1  0.494296  0.531718  0.302129  1
  C  C481  1  0.079600  0.814966  0.362265  1
  C  C482  1  0.786613  0.507671  0.331473  1
  C  C483  1  0.079600  0.481633  0.362265  1
  C  C484  1  0.494296  0.198385  0.302129  1
  C  C485  1  0.786613  0.174338  0.331473  1
  C  C486  1  0.494296  0.865052  0.302129  1
  C  C487  1  0.249249  0.280178  0.396129  1
  C  C488  1  0.956772  0.971821  0.366058  1
  C  C489  1  0.542000  0.588937  0.426475  1
  C  C490  1  0.249249  0.946844  0.396129  1
  C  C491  1  0.956772  0.638488  0.366058  1
  C  C492  1  0.249249  0.613511  0.396129  1
  C  C493  1  0.542000  0.255604  0.426475  1
  C  C494  1  0.956772  0.305154  0.366058  1
  C  C495  1  0.542000  0.922270  0.426475  1
  C  C496  1  0.138516  0.101263  0.419916  1
  C  C497  1  0.846157  0.793009  0.389572  1
  C  C498  1  0.431030  0.409969  0.450238  1
  C  C499  1  0.138516  0.767929  0.419916  1
  C  C500  1  0.846157  0.459676  0.389572  1
  C  C501  1  0.138516  0.434596  0.419916  1
  C  C502  1  0.431030  0.076636  0.450238  1
  C  C503  1  0.846157  0.126343  0.389572  1
  C  C504  1  0.431030  0.743302  0.450238  1
  C  C505  1  0.068051  0.252839  0.429016  1
  C  C506  1  0.775218  0.944325  0.398664  1
  C  C507  1  0.482907  0.636055  0.368754  1
  C  C508  1  0.068051  0.919506  0.429016  1
  C  C509  1  0.775218  0.610992  0.398664  1
  C  C510  1  0.068051  0.586173  0.429016  1
  C  C511  1  0.482907  0.302722  0.368754  1
  C  C512  1  0.775218  0.277658  0.398664  1
  C  C513  1  0.482907  0.969389  0.368754  1
  C  C514  1  0.957044  0.073935  0.452742  1
  C  C515  1  0.664722  0.765516  0.422593  1
  C  C516  1  0.371616  0.456762  0.392373  1
  C  C517  1  0.957044  0.740602  0.452742  1
  C  C518  1  0.664722  0.432182  0.422594  1
  C  C519  1  0.957044  0.407269  0.452742  1
  C  C520  1  0.371616  0.123428  0.392373  1
  C  C521  1  0.664722  0.098849  0.422594  1
  C  C522  1  0.371616  0.790095  0.392373  1
  C  C523  1  0.127114  0.205758  0.486781  1
  C  C524  1  0.834569  0.897352  0.456568  1
  C  C525  1  0.419866  0.514276  0.517010  1
  C  C526  1  0.127114  0.872425  0.486781  1
  C  C527  1  0.834569  0.564018  0.456568  1
  C  C528  1  0.127114  0.539091  0.486781  1
  C  C529  1  0.419866  0.180943  0.517010  1
  C  C530  1  0.834569  0.230685  0.456568  1
  C  C531  1  0.419866  0.847609  0.517010  1
  C  C532  1  0.016215  0.026890  0.510599  1
  C  C533  1  0.723803  0.718388  0.480382  1
  C  C534  1  0.308967  0.335359  0.540780  1
  C  C535  1  0.016215  0.693557  0.510599  1
  C  C536  1  0.723803  0.385055  0.480382  1
  C  C537  1  0.016215  0.360223  0.510599  1
  C  C538  1  0.308967  0.002026  0.540780  1
  C  C539  1  0.723803  0.051722  0.480382  1
  C  C540  1  0.308967  0.668692  0.540780  1
  C  C541  1  0.945729  0.178367  0.519618  1
  C  C542  1  0.653317  0.869865  0.489401  1
  C  C543  1  0.360566  0.561396  0.459220  1
  C  C544  1  0.945729  0.845033  0.519618  1
  C  C545  1  0.653317  0.536531  0.489401  1
  C  C546  1  0.945729  0.511700  0.519618  1
  C  C547  1  0.360566  0.228062  0.459220  1
  C  C548  1  0.653317  0.203198  0.489401  1
  C  C549  1  0.360566  0.894729  0.459220  1
  C  C550  1  0.834964  0.999403  0.543432  1
  C  C551  1  0.542419  0.690997  0.513219  1
  C  C552  1  0.249667  0.382479  0.482990  1
  C  C553  1  0.834964  0.666070  0.543432  1
  C  C554  1  0.542419  0.357664  0.513219  1
  C  C555  1  0.834964  0.332737  0.543432  1
  C  C556  1  0.249667  0.049146  0.482990  1
  C  C557  1  0.542419  0.024330  0.513219  1
  C  C558  1  0.249667  0.715812  0.482990  1
  C  C559  1  0.004810  0.131239  0.577406  1
  C  C560  1  0.712488  0.822820  0.547258  1
  C  C561  1  0.297916  0.439993  0.607627  1
  C  C562  1  0.004810  0.797906  0.577406  1
  C  C563  1  0.712488  0.489486  0.547258  1
  C  C564  1  0.004810  0.464573  0.577407  1
  C  C565  1  0.297916  0.106660  0.607627  1
  C  C566  1  0.712488  0.156153  0.547258  1
  C  C567  1  0.297916  0.773327  0.607627  1
  C  C568  1  0.894314  0.952430  0.601336  1
  C  C569  1  0.601481  0.643915  0.570984  1
  C  C570  1  0.186625  0.260700  0.631246  1
  C  C571  1  0.894314  0.619097  0.601336  1
  C  C572  1  0.601481  0.310582  0.570984  1
  C  C573  1  0.894314  0.285763  0.601336  1
  C  C574  1  0.186625  0.927366  0.631246  1
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  C  C592  1  0.127532  0.974485  0.573525  1
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  C  C595  1  0.882919  0.055751  0.668527  1
  C  C596  1  0.589932  0.748455  0.637735  1
  C  C597  1  0.175236  0.365037  0.697871  1
  C  C598  1  0.882919  0.722417  0.668527  1
  C  C599  1  0.589932  0.415122  0.637735  1
  C  C600  1  0.882919  0.389084  0.668527  1
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  C  C603  1  0.175236  0.698370  0.697871  1
  C  C604  1  0.772442  0.877831  0.691704  1
  C  C605  1  0.479946  0.570232  0.661799  1
  C  C606  1  0.063106  0.179679  0.721444  1
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  C  C608  1  0.479946  0.236899  0.661799  1
  C  C609  1  0.772442  0.211165  0.691704  1
  C  C610  1  0.063106  0.846345  0.721444  1
  C  C611  1  0.479946  0.903565  0.661799  1
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  C  C613  1  0.699178  0.028107  0.701017  1
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  C  C616  1  0.699178  0.694774  0.701017  1
  C  C617  1  0.407719  0.387653  0.671130  1
  C  C618  1  0.699178  0.361440  0.701017  1
  C  C619  1  0.116744  0.078432  0.639953  1
  C  C620  1  0.407719  0.054319  0.671130  1
  C  C621  1  0.116744  0.745098  0.639953  1
  C  C622  1  0.596556  0.848981  0.724070  1
  C  C623  1  0.297544  0.541970  0.694295  1
  C  C624  1  0.005921  0.233135  0.664233  1
  C  C625  1  0.596556  0.515647  0.724070  1
  C  C626  1  0.297544  0.208637  0.694295  1
  C  C627  1  0.596556  0.182314  0.724070  1
  C  C628  1  0.005921  0.899801  0.664233  1
  C  C629  1  0.297544  0.875304  0.694295  1
  C  C630  1  0.005921  0.566468  0.664233  1
