# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.63052702
_cell_length_b   21.64637894
_cell_length_c   46.65258100
_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   10735.3381367
_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  0.800718  0.671290  0.332383  1
  Fe  Fe2  1  0.799461  0.306401  0.363425  1
  Fe  Fe3  1  0.801568  0.036385  0.302989  1
  Fe  Fe4  1  0.700526  0.822394  0.310415  1
  Fe  Fe5  1  0.698607  0.456192  0.340926  1
  Fe  Fe6  1  0.707505  0.183228  0.280674  1
  Fe  Fe7  1  0.201764  0.828776  0.342698  1
  Fe  Fe8  1  0.190994  0.551692  0.280794  1
  Fe  Fe9  1  0.198562  0.193511  0.311142  1
  Fe  Fe10  1  0.300220  0.978565  0.319576  1
  Fe  Fe11  1  0.299130  0.615586  0.349625  1
  Fe  Fe12  1  0.303742  0.346116  0.290102  1
  Fe  Fe13  1  0.803062  0.895363  0.339954  1
  Fe  Fe14  1  0.801377  0.617242  0.282008  1
  Fe  Fe15  1  0.801201  0.259864  0.310434  1
  Fe  Fe16  1  0.699999  0.941670  0.296483  1
  Fe  Fe17  1  0.695893  0.577160  0.325248  1
  Fe  Fe18  1  0.698271  0.213414  0.354308  1
  Fe  Fe19  1  0.199105  0.708692  0.358269  1
  Fe  Fe20  1  0.198004  0.440095  0.299005  1
  Fe  Fe21  1  0.198036  0.074646  0.327949  1
  Fe  Fe22  1  0.303192  0.756167  0.313101  1
  Fe  Fe23  1  0.301007  0.391913  0.343447  1
  Fe  Fe24  1  0.302036  0.120907  0.283467  1
  Fe  Fe25  1  0.573515  0.893434  0.340587  1
  Fe  Fe26  1  0.574478  0.620403  0.280709  1
  Fe  Fe27  1  0.572216  0.258193  0.310709  1
  Fe  Fe28  1  0.927459  0.941279  0.295607  1
  Fe  Fe29  1  0.925800  0.576091  0.325547  1
  Fe  Fe30  1  0.926279  0.211424  0.355920  1
  Fe  Fe31  1  0.425822  0.709594  0.357006  1
  Fe  Fe32  1  0.421607  0.440186  0.296241  1
  Fe  Fe33  1  0.424817  0.075783  0.326901  1
  Fe  Fe34  1  0.079126  0.757519  0.312952  1
  Fe  Fe35  1  0.074360  0.392152  0.341978  1
  Fe  Fe36  1  0.065736  0.121265  0.277470  1
  Fe  Fe37  1  0.375101  0.878180  0.355533  1
  Fe  Fe38  1  0.372831  0.609531  0.294069  1
  Fe  Fe39  1  0.373970  0.243908  0.325941  1
  Fe  Fe40  1  0.126859  0.926401  0.310905  1
  Fe  Fe41  1  0.124504  0.561368  0.340699  1
  Fe  Fe42  1  0.124263  0.295179  0.278129  1
  Fe  Fe43  1  0.627133  0.725783  0.341741  1
  Fe  Fe44  1  0.619934  0.454476  0.280127  1
  Fe  Fe45  1  0.624075  0.091133  0.310727  1
  Fe  Fe46  1  0.876453  0.774215  0.295975  1
  Fe  Fe47  1  0.874302  0.409199  0.326571  1
  Fe  Fe48  1  0.874702  0.043872  0.357163  1
  Fe  Fe49  1  0.700970  0.717731  0.287589  1
  Fe  Fe50  1  0.697811  0.355143  0.317609  1
  Fe  Fe51  1  0.700819  0.989351  0.348119  1
  Fe  Fe52  1  0.800911  0.774606  0.356018  1
  Fe  Fe53  1  0.800148  0.500700  0.295381  1
  Fe  Fe54  1  0.801041  0.139676  0.325620  1
  Fe  Fe55  1  0.302021  0.873296  0.295430  1
  Fe  Fe56  1  0.298021  0.511607  0.327528  1
  Fe  Fe57  1  0.300240  0.146416  0.357418  1
  Fe  Fe58  1  0.199688  0.024730  0.274304  1
  Fe  Fe59  1  0.198098  0.662180  0.305511  1
  Fe  Fe60  1  0.200296  0.298064  0.334542  1
  Fe  Fe61  1  0.504407  0.988469  0.306947  1
  Fe  Fe62  1  0.506575  0.622943  0.337496  1
  Fe  Fe63  1  0.531649  0.344961  0.277783  1
  Fe  Fe64  1  0.992776  0.844761  0.331585  1
  Fe  Fe65  1  0.989370  0.480031  0.361624  1
  Fe  Fe66  1  0.987660  0.209154  0.301786  1
  Fe  Fe67  1  0.494036  0.805708  0.321014  1
  Fe  Fe68  1  0.491760  0.442022  0.351758  1
  Fe  Fe69  1  0.491565  0.170345  0.291390  1
  Fe  Fe70  1  0.008341  0.663150  0.344957  1
  Fe  Fe71  1  0.002655  0.390805  0.285502  1
  Fe  Fe72  1  0.011744  0.027769  0.314120  1
  Fe  Fe73  1  0.494690  0.710110  0.299852  1
  Fe  Fe74  1  0.490547  0.346103  0.329938  1
  Fe  Fe75  1  0.491777  0.981002  0.359712  1
  Fe  Fe76  1  0.008115  0.851235  0.276702  1
  Fe  Fe77  1  0.007499  0.489166  0.306859  1
  Fe  Fe78  1  0.008019  0.124426  0.336636  1
  Fe  Fe79  1  0.512034  0.890604  0.285127  1
  Fe  Fe80  1  0.503260  0.527550  0.316295  1
  Fe  Fe81  1  0.508849  0.162792  0.346214  1
  Fe  Fe82  1  0.994311  0.941068  0.352838  1
  Fe  Fe83  1  0.990213  0.669603  0.291191  1
  Fe  Fe84  1  0.994733  0.306195  0.322310  1
  Fe  Fe85  1  0.800620  0.576168  0.423918  1
  Fe  Fe86  1  0.800675  0.211111  0.454276  1
  Fe  Fe87  1  0.799861  0.941113  0.393529  1
  Fe  Fe88  1  0.699207  0.727758  0.401749  1
  Fe  Fe89  1  0.699618  0.362746  0.432243  1
  Fe  Fe90  1  0.699321  0.092466  0.371243  1
  Fe  Fe91  1  0.199376  0.734085  0.432452  1
  Fe  Fe92  1  0.199993  0.463551  0.372902  1
  Fe  Fe93  1  0.200676  0.098874  0.402343  1
  Fe  Fe94  1  0.301335  0.885528  0.410324  1
  Fe  Fe95  1  0.300273  0.520199  0.440638  1
  Fe  Fe96  1  0.300804  0.250269  0.380226  1
  Fe  Fe97  1  0.801752  0.800053  0.430380  1
  Fe  Fe98  1  0.800687  0.530830  0.370034  1
  Fe  Fe99  1  0.801650  0.165075  0.400175  1
  Fe  Fe100  1  0.698557  0.847763  0.384676  1
  Fe  Fe101  1  0.697918  0.482541  0.415388  1
  Fe  Fe102  1  0.698014  0.117404  0.445512  1
  Fe  Fe103  1  0.197898  0.614057  0.449271  1
  Fe  Fe104  1  0.197580  0.344185  0.388768  1
  Fe  Fe105  1  0.198914  0.979240  0.418818  1
  Fe  Fe106  1  0.301859  0.661880  0.403663  1
  Fe  Fe107  1  0.301379  0.296432  0.434155  1
  Fe  Fe108  1  0.302895  0.026242  0.373486  1
  Fe  Fe109  1  0.574012  0.799068  0.431716  1
  Fe  Fe110  1  0.573865  0.528764  0.371342  1
  Fe  Fe111  1  0.575281  0.163768  0.401473  1
  Fe  Fe112  1  0.925331  0.846248  0.386353  1
  Fe  Fe113  1  0.924493  0.481387  0.416686  1
  Fe  Fe114  1  0.926065  0.116252  0.446971  1
  Fe  Fe115  1  0.425476  0.615581  0.448093  1
  Fe  Fe116  1  0.425080  0.344742  0.388004  1
  Fe  Fe117  1  0.425882  0.980151  0.417548  1
  Fe  Fe118  1  0.074119  0.662796  0.402781  1
  Fe  Fe119  1  0.074254  0.297571  0.432863  1
  Fe  Fe120  1  0.074820  0.027505  0.372772  1
  Fe  Fe121  1  0.373760  0.783277  0.446792  1
  Fe  Fe122  1  0.373610  0.512435  0.387026  1
  Fe  Fe123  1  0.374360  0.148129  0.416645  1
  Fe  Fe124  1  0.126195  0.830035  0.401974  1
  Fe  Fe125  1  0.125439  0.465631  0.431800  1
  Fe  Fe126  1  0.126138  0.195125  0.371378  1
  Fe  Fe127  1  0.626046  0.631418  0.432788  1
  Fe  Fe128  1  0.625805  0.360976  0.372373  1
  Fe  Fe129  1  0.626404  0.995742  0.402338  1
  Fe  Fe130  1  0.873637  0.678391  0.387315  1
  Fe  Fe131  1  0.873583  0.313418  0.417614  1
  Fe  Fe132  1  0.873905  0.948789  0.447888  1
  Fe  Fe133  1  0.699605  0.623558  0.378518  1
  Fe  Fe134  1  0.699392  0.258357  0.408638  1
  Fe  Fe135  1  0.698972  0.893742  0.438991  1
  Fe  Fe136  1  0.800119  0.680489  0.447279  1
  Fe  Fe137  1  0.800298  0.410001  0.386618  1
  Fe  Fe138  1  0.800507  0.045303  0.417007  1
  Fe  Fe139  1  0.300410  0.781125  0.386946  1
  Fe  Fe140  1  0.299407  0.416420  0.417631  1
  Fe  Fe141  1  0.300930  0.051471  0.447563  1
  Fe  Fe142  1  0.200857  0.932464  0.364809  1
  Fe  Fe143  1  0.198546  0.568013  0.395498  1
  Fe  Fe144  1  0.199263  0.202598  0.425437  1
  Fe  Fe145  1  0.508608  0.893181  0.397918  1
  Fe  Fe146  1  0.507069  0.528337  0.428443  1
  Fe  Fe147  1  0.508354  0.258808  0.367684  1
  Fe  Fe148  1  0.991914  0.749881  0.421916  1
  Fe  Fe149  1  0.992026  0.384705  0.452452  1
  Fe  Fe150  1  0.991254  0.114732  0.391575  1
  Fe  Fe151  1  0.492267  0.711717  0.412210  1
  Fe  Fe152  1  0.492130  0.346674  0.442828  1
  Fe  Fe153  1  0.492598  0.076613  0.381542  1
  Fe  Fe154  1  0.007066  0.568397  0.436446  1
  Fe  Fe155  1  0.007322  0.298442  0.375680  1
  Fe  Fe156  1  0.007209  0.933095  0.406232  1
  Fe  Fe157  1  0.492800  0.615936  0.391126  1
  Fe  Fe158  1  0.492546  0.250530  0.421334  1
  Fe  Fe159  1  0.492041  0.885842  0.451295  1
  Fe  Fe160  1  0.007790  0.759023  0.366583  1
  Fe  Fe161  1  0.007526  0.394231  0.396992  1
  Fe  Fe162  1  0.007646  0.029143  0.427585  1
  Fe  Fe163  1  0.509400  0.797242  0.376398  1
  Fe  Fe164  1  0.508415  0.432103  0.406994  1
  Fe  Fe165  1  0.508003  0.067340  0.437155  1
  Fe  Fe166  1  0.992431  0.845912  0.443450  1
  Fe  Fe167  1  0.991192  0.576328  0.382839  1
  Fe  Fe168  1  0.992289  0.210708  0.413185  1
  Fe  Fe169  1  0.800549  0.481272  0.514928  1
  Fe  Fe170  1  0.800266  0.116276  0.545276  1
  Fe  Fe171  1  0.800391  0.846354  0.484567  1
  Fe  Fe172  1  0.699495  0.632756  0.492619  1
  Fe  Fe173  1  0.699204  0.267215  0.523094  1
  Fe  Fe174  1  0.699380  0.997665  0.462403  1
  Fe  Fe175  1  0.199386  0.639014  0.523577  1
  Fe  Fe176  1  0.199049  0.368948  0.462969  1
  Fe  Fe177  1  0.199334  0.004021  0.493241  1
  Fe  Fe178  1  0.300401  0.790363  0.501341  1
  Fe  Fe179  1  0.300682  0.425229  0.531572  1
  Fe  Fe180  1  0.300414  0.154999  0.471043  1
  Fe  Fe181  1  0.801896  0.705239  0.521586  1
  Fe  Fe182  1  0.801759  0.435002  0.460842  1
  Fe  Fe183  1  0.801783  0.069880  0.491377  1
  Fe  Fe184  1  0.697941  0.752594  0.476101  1
  Fe  Fe185  1  0.697965  0.387427  0.506562  1
  Fe  Fe186  1  0.697644  0.022486  0.536743  1
  Fe  Fe187  1  0.197995  0.518992  0.540265  1
  Fe  Fe188  1  0.197858  0.248755  0.479521  1
  Fe  Fe189  1  0.197971  0.884114  0.509730  1
  Fe  Fe190  1  0.301790  0.566567  0.494545  1
  Fe  Fe191  1  0.301813  0.201400  0.525007  1
  Fe  Fe192  1  0.302110  0.931508  0.464364  1
  Fe  Fe193  1  0.574160  0.703762  0.522790  1
  Fe  Fe194  1  0.573755  0.433712  0.462224  1
  Fe  Fe195  1  0.574169  0.068699  0.492506  1
  Fe  Fe196  1  0.925800  0.751549  0.477314  1
  Fe  Fe197  1  0.925557  0.385937  0.507682  1
  Fe  Fe198  1  0.925608  0.021116  0.537998  1
  Fe  Fe199  1  0.425999  0.520282  0.538884  1
  Fe  Fe200  1  0.425594  0.250232  0.478317  1
  Fe  Fe201  1  0.425585  0.885295  0.508601  1
  Fe  Fe202  1  0.074198  0.568057  0.493425  1
  Fe  Fe203  1  0.073955  0.202445  0.523793  1
  Fe  Fe204  1  0.074147  0.932878  0.463109  1
  Fe  Fe205  1  0.373877  0.687779  0.537995  1
  Fe  Fe206  1  0.373637  0.417880  0.477384  1
  Fe  Fe207  1  0.373815  0.052942  0.507711  1
  Fe  Fe208  1  0.125998  0.735733  0.492473  1
  Fe  Fe209  1  0.125936  0.370061  0.522874  1
  Fe  Fe210  1  0.126164  0.100427  0.462047  1
  Fe  Fe211  1  0.626117  0.536113  0.523723  1
  Fe  Fe212  1  0.625878  0.266215  0.463112  1
  Fe  Fe213  1  0.625939  0.901051  0.493397  1
  Fe  Fe214  1  0.873818  0.583932  0.478234  1
  Fe  Fe215  1  0.873757  0.218260  0.508634  1
  Fe  Fe216  1  0.873590  0.853567  0.539061  1
  Fe  Fe217  1  0.699073  0.528765  0.469535  1
  Fe  Fe218  1  0.699354  0.163630  0.499766  1
  Fe  Fe219  1  0.699340  0.798995  0.530064  1
  Fe  Fe220  1  0.800706  0.585046  0.538138  1
  Fe  Fe221  1  0.800369  0.314980  0.477531  1
  Fe  Fe222  1  0.800421  0.949973  0.507866  1
  Fe  Fe223  1  0.300551  0.686779  0.478014  1
  Fe  Fe224  1  0.300259  0.321238  0.508489  1
  Fe  Fe225  1  0.300375  0.956329  0.538705  1
  Fe  Fe226  1  0.199488  0.837717  0.455832  1
  Fe  Fe227  1  0.199205  0.472722  0.486179  1
  Fe  Fe228  1  0.199363  0.107640  0.516541  1
  Fe  Fe229  1  0.507479  0.798398  0.489000  1
  Fe  Fe230  1  0.507290  0.433207  0.519372  1
  Fe  Fe231  1  0.507347  0.163156  0.458641  1
  Fe  Fe232  1  0.992339  0.654913  0.512937  1
  Fe  Fe233  1  0.992244  0.289619  0.543213  1
  Fe  Fe234  1  0.992644  0.019844  0.482636  1
  Fe  Fe235  1  0.492569  0.616873  0.503291  1
  Fe  Fe236  1  0.492359  0.251511  0.533611  1
  Fe  Fe237  1  0.492365  0.981616  0.473004  1
  Fe  Fe238  1  0.007321  0.473259  0.527293  1
  Fe  Fe239  1  0.007645  0.203083  0.466524  1
  Fe  Fe240  1  0.007485  0.838295  0.496875  1
  Fe  Fe241  1  0.492464  0.520787  0.481735  1
  Fe  Fe242  1  0.492276  0.155596  0.512107  1
  Fe  Fe243  1  0.492407  0.790838  0.542467  1
  Fe  Fe244  1  0.007511  0.664375  0.457895  1
  Fe  Fe245  1  0.007416  0.299081  0.488171  1
  Fe  Fe246  1  0.007110  0.934150  0.518471  1
  Fe  Fe247  1  0.507395  0.702483  0.467496  1
  Fe  Fe248  1  0.507185  0.337121  0.497816  1
  Fe  Fe249  1  0.507389  0.972378  0.528103  1
  Fe  Fe250  1  0.992110  0.750911  0.534583  1
  Fe  Fe251  1  0.992433  0.480735  0.473815  1
  Fe  Fe252  1  0.992269  0.115699  0.504233  1
  Fe  Fe253  1  0.801208  0.385981  0.605609  1
  Fe  Fe254  1  0.798897  0.021530  0.636298  1
  Fe  Fe255  1  0.800492  0.751396  0.575670  1
  Fe  Fe256  1  0.700348  0.537574  0.583477  1
  Fe  Fe257  1  0.699345  0.172869  0.614162  1
  Fe  Fe258  1  0.698825  0.902522  0.553544  1
  Fe  Fe259  1  0.199456  0.543993  0.614489  1
  Fe  Fe260  1  0.199635  0.273505  0.553829  1
  Fe  Fe261  1  0.199247  0.908691  0.584100  1
  Fe  Fe262  1  0.300363  0.695637  0.592469  1
  Fe  Fe263  1  0.300149  0.330436  0.622589  1
  Fe  Fe264  1  0.300783  0.060252  0.562117  1
  Fe  Fe265  1  0.802174  0.609809  0.612339  1
  Fe  Fe266  1  0.801857  0.339937  0.551836  1
  Fe  Fe267  1  0.800841  0.974754  0.582290  1
  Fe  Fe268  1  0.698375  0.657561  0.566953  1
  Fe  Fe269  1  0.697896  0.292114  0.597444  1
  Fe  Fe270  1  0.696859  0.927752  0.627622  1
  Fe  Fe271  1  0.199068  0.423164  0.631074  1
  Fe  Fe272  1  0.198002  0.153941  0.570727  1
  Fe  Fe273  1  0.198104  0.788919  0.600932  1
  Fe  Fe274  1  0.301836  0.471453  0.585719  1
  Fe  Fe275  1  0.301198  0.106231  0.616432  1
  Fe  Fe276  1  0.301740  0.836590  0.555596  1
  Fe  Fe277  1  0.574675  0.609252  0.613104  1
  Fe  Fe278  1  0.574278  0.338412  0.553015  1
  Fe  Fe279  1  0.573872  0.973843  0.583560  1
  Fe  Fe280  1  0.925500  0.656423  0.568245  1
  Fe  Fe281  1  0.925636  0.291198  0.598326  1
  Fe  Fe282  1  0.924935  0.926489  0.628335  1
  Fe  Fe283  1  0.425889  0.425229  0.629765  1
  Fe  Fe284  1  0.425742  0.154925  0.569391  1
  Fe  Fe285  1  0.424473  0.790226  0.599634  1
  Fe  Fe286  1  0.075262  0.472607  0.584421  1
  Fe  Fe287  1  0.074424  0.107746  0.614755  1
  Fe  Fe288  1  0.073689  0.837742  0.554136  1
  Fe  Fe289  1  0.373949  0.593017  0.628734  1
  Fe  Fe290  1  0.373709  0.322576  0.568319  1
  Fe  Fe291  1  0.373351  0.958252  0.598769  1
  Fe  Fe292  1  0.126171  0.640576  0.583493  1
  Fe  Fe293  1  0.126118  0.275602  0.613792  1
  Fe  Fe294  1  0.125850  0.005204  0.553219  1
  Fe  Fe295  1  0.626145  0.441559  0.614082  1
  Fe  Fe296  1  0.625994  0.170717  0.554315  1
  Fe  Fe297  1  0.625395  0.805865  0.584463  1
  Fe  Fe298  1  0.874315  0.488363  0.569307  1
  Fe  Fe299  1  0.873560  0.123959  0.599133  1
  Fe  Fe300  1  0.873616  0.758869  0.629729  1
  Fe  Fe301  1  0.699481  0.433795  0.560469  1
  Fe  Fe302  1  0.698420  0.068466  0.590784  1
  Fe  Fe303  1  0.698950  0.703725  0.620881  1
  Fe  Fe304  1  0.799761  0.490443  0.628206  1
  Fe  Fe305  1  0.800379  0.219909  0.568655  1
  Fe  Fe306  1  0.799078  0.855120  0.598764  1
  Fe  Fe307  1  0.300137  0.591248  0.568864  1
  Fe  Fe308  1  0.300547  0.226236  0.599359  1
  Fe  Fe309  1  0.300434  0.861528  0.629864  1
  Fe  Fe310  1  0.199080  0.742883  0.546832  1
  Fe  Fe311  1  0.199134  0.377826  0.577190  1
  Fe  Fe312  1  0.199893  0.012881  0.607579  1
  Fe  Fe313  1  0.507209  0.703464  0.579773  1
  Fe  Fe314  1  0.506954  0.338057  0.609981  1
  Fe  Fe315  1  0.507713  0.068152  0.549812  1
  Fe  Fe316  1  0.992228  0.559762  0.604116  1
  Fe  Fe317  1  0.991965  0.194971  0.634524  1
  Fe  Fe318  1  0.992109  0.924851  0.573522  1
  Fe  Fe319  1  0.491339  0.521891  0.594113  1
  Fe  Fe320  1  0.490355  0.156752  0.624710  1
  Fe  Fe321  1  0.491751  0.886654  0.563953  1
  Fe  Fe322  1  0.008562  0.377666  0.618269  1
  Fe  Fe323  1  0.007323  0.108082  0.557658  1
  Fe  Fe324  1  0.007466  0.743285  0.587922  1
  Fe  Fe325  1  0.492685  0.425657  0.572665  1
  Fe  Fe326  1  0.491146  0.060813  0.603190  1
  Fe  Fe327  1  0.491400  0.695186  0.633423  1
  Fe  Fe328  1  0.007728  0.569289  0.548656  1
  Fe  Fe329  1  0.007840  0.204112  0.579192  1
  Fe  Fe330  1  0.008501  0.839262  0.609532  1
  Fe  Fe331  1  0.507625  0.607320  0.558279  1
  Fe  Fe332  1  0.507487  0.242276  0.588898  1
  Fe  Fe333  1  0.507156  0.877381  0.619566  1
  Fe  Fe334  1  0.992432  0.655551  0.625427  1
  Fe  Fe335  1  0.992689  0.385597  0.564662  1
  Fe  Fe336  1  0.992545  0.020899  0.594875  1
  Fe  Fe337  1  0.801656  0.291814  0.695597  1
  Fe  Fe338  1  0.800067  0.929264  0.726803  1
  Fe  Fe339  1  0.799459  0.655929  0.666565  1
  Fe  Fe340  1  0.701734  0.442387  0.673579  1
  Fe  Fe341  1  0.697734  0.080698  0.705678  1
  Fe  Fe342  1  0.699514  0.807578  0.643690  1
  Fe  Fe343  1  0.199606  0.453293  0.705726  1
  Fe  Fe344  1  0.198843  0.179388  0.645089  1
  Fe  Fe345  1  0.198714  0.814317  0.675487  1
  Fe  Fe346  1  0.301944  0.598850  0.683498  1
  Fe  Fe347  1  0.298784  0.236263  0.713518  1
  Fe  Fe348  1  0.298936  0.964643  0.652988  1
  Fe  Fe349  1  0.801750  0.513899  0.702102  1
  Fe  Fe350  1  0.800650  0.245302  0.642839  1
  Fe  Fe351  1  0.801718  0.879348  0.673158  1
  Fe  Fe352  1  0.698747  0.562081  0.657661  1
  Fe  Fe353  1  0.696563  0.197827  0.688007  1
  Fe  Fe354  1  0.697718  0.833087  0.717641  1
  Fe  Fe355  1  0.198377  0.336752  0.719100  1
  Fe  Fe356  1  0.196693  0.058631  0.661154  1
  Fe  Fe357  1  0.198554  0.694130  0.690674  1
  Fe  Fe358  1  0.303862  0.376834  0.675859  1
  Fe  Fe359  1  0.299755  0.012324  0.704624  1
  Fe  Fe360  1  0.301483  0.740580  0.646800  1
  Fe  Fe361  1  0.578148  0.513808  0.704867  1
  Fe  Fe362  1  0.573933  0.244399  0.644101  1
  Fe  Fe363  1  0.574937  0.878211  0.674206  1
  Fe  Fe364  1  0.925394  0.561842  0.659129  1
  Fe  Fe365  1  0.920629  0.196475  0.688155  1
  Fe  Fe366  1  0.934019  0.832728  0.723637  1
  Fe  Fe367  1  0.425277  0.333591  0.720399  1
  Fe  Fe368  1  0.426239  0.060560  0.660521  1
  Fe  Fe369  1  0.427538  0.695801  0.690398  1
  Fe  Fe370  1  0.073955  0.377903  0.675561  1
  Fe  Fe371  1  0.072295  0.012715  0.705500  1
  Fe  Fe372  1  0.073475  0.742570  0.645188  1
  Fe  Fe373  1  0.379820  0.499518  0.720980  1
  Fe  Fe374  1  0.372622  0.228211  0.659366  1
  Fe  Fe375  1  0.375679  0.862861  0.690381  1
  Fe  Fe376  1  0.125453  0.544795  0.674536  1
  Fe  Fe377  1  0.123302  0.179779  0.705133  1
  Fe  Fe378  1  0.125052  0.910122  0.643945  1
  Fe  Fe379  1  0.626923  0.344463  0.707038  1
  Fe  Fe380  1  0.624653  0.075814  0.645574  1
  Fe  Fe381  1  0.625784  0.710086  0.675166  1
  Fe  Fe382  1  0.875251  0.392626  0.660409  1
  Fe  Fe383  1  0.872896  0.027593  0.690203  1
  Fe  Fe384  1  0.875492  0.658815  0.722978  1
  Fe  Fe385  1  0.700624  0.338408  0.651483  1
  Fe  Fe386  1  0.699535  0.975429  0.681532  1
  Fe  Fe387  1  0.696013  0.607877  0.711006  1
  Fe  Fe388  1  0.808760  0.402302  0.720313  1
  Fe  Fe389  1  0.797990  0.125218  0.658410  1
  Fe  Fe390  1  0.801193  0.760483  0.689966  1
  Fe  Fe391  1  0.301148  0.497802  0.660182  1
  Fe  Fe392  1  0.299228  0.131599  0.690692  1
  Fe  Fe393  1  0.292249  0.770766  0.720434  1
  Fe  Fe394  1  0.200293  0.647593  0.637683  1
  Fe  Fe395  1  0.199036  0.282704  0.668724  1
  Fe  Fe396  1  0.198187  0.917608  0.698118  1
  Fe  Fe397  1  0.509208  0.607890  0.671169  1
  Fe  Fe398  1  0.505064  0.243884  0.701256  1
  Fe  Fe399  1  0.507978  0.972992  0.641395  1
  Fe  Fe400  1  0.992256  0.464828  0.694248  1
  Fe  Fe401  1  0.991639  0.102759  0.724406  1
  Fe  Fe402  1  0.991736  0.829567  0.664471  1
  Fe  Fe403  1  0.496494  0.426444  0.684813  1
  Fe  Fe404  1  0.487720  0.063390  0.715980  1
  Fe  Fe405  1  0.490905  0.791202  0.654894  1
  Fe  Fe406  1  0.009542  0.284391  0.709916  1
  Fe  Fe407  1  0.005444  0.012926  0.648269  1
  Fe  Fe408  1  0.005022  0.647798  0.678797  1
  Fe  Fe409  1  0.493180  0.331051  0.663611  1
  Fe  Fe410  1  0.495347  0.965525  0.694160  1
  Fe  Fe411  1  0.468106  0.609032  0.723325  1
  Fe  Fe412  1  0.010385  0.473963  0.639483  1
  Fe  Fe413  1  0.006978  0.109233  0.669522  1
  Fe  Fe414  1  0.012095  0.744840  0.699321  1
  Fe  Fe415  1  0.507994  0.511972  0.649350  1
  Fe  Fe416  1  0.505719  0.148286  0.680093  1
  Fe  Fe417  1  0.508190  0.783649  0.709717  1
  Fe  Fe418  1  0.997099  0.563189  0.715605  1
  Fe  Fe419  1  0.991413  0.290844  0.656150  1
  Fe  Fe420  1  0.988011  0.926225  0.686987  1
  C  C421  1  0.923926  0.736262  0.331610  1
  C  C422  1  0.922652  0.371338  0.362168  1
  C  C423  1  0.925346  0.101004  0.301645  1
  C  C424  1  0.578474  0.783009  0.286111  1
  C  C425  1  0.573405  0.419561  0.316491  1
  C  C426  1  0.577191  0.054085  0.346627  1
  C  C427  1  0.077869  0.959174  0.274305  1
  C  C428  1  0.075785  0.596898  0.304631  1
  C  C429  1  0.077784  0.232834  0.335770  1
  C  C430  1  0.423740  0.913710  0.319457  1
  C  C431  1  0.421828  0.550521  0.351498  1
  C  C432  1  0.422304  0.279124  0.289784  1
  C  C433  1  0.861867  0.976823  0.330280  1
  C  C434  1  0.859517  0.612111  0.360042  1
  C  C435  1  0.859472  0.341117  0.300322  1
  C  C436  1  0.640725  0.813020  0.349065  1
  C  C437  1  0.639857  0.540130  0.290000  1
  C  C438  1  0.640452  0.177874  0.318865  1
  C  C439  1  0.139901  0.838995  0.304302  1
  C  C440  1  0.137432  0.473753  0.334561  1
  C  C441  1  0.139688  0.108042  0.363786  1
  C  C442  1  0.361504  0.674312  0.322173  1
  C  C443  1  0.359817  0.310433  0.353064  1
  C  C444  1  0.359170  0.038979  0.292540  1
  C  C445  1  0.138874  0.721266  0.277901  1
  C  C446  1  0.140835  0.357678  0.307171  1
  C  C447  1  0.141087  0.993069  0.337948  1
  C  C448  1  0.363074  0.790793  0.348548  1
  C  C449  1  0.357501  0.521721  0.288911  1
  C  C450  1  0.359647  0.156723  0.318820  1
  C  C451  1  0.861327  0.860853  0.304340  1
  C  C452  1  0.857768  0.496046  0.334381  1
  C  C453  1  0.859838  0.228920  0.274169  1
  C  C454  1  0.641391  0.022076  0.285087  1
  C  C455  1  0.639043  0.658562  0.314888  1
  C  C456  1  0.639566  0.295052  0.344910  1
  C  C457  1  0.922900  0.641521  0.423051  1
  C  C458  1  0.923336  0.276279  0.453253  1
  C  C459  1  0.922959  0.006126  0.392772  1
  C  C460  1  0.577003  0.688751  0.377384  1
  C  C461  1  0.576969  0.323652  0.408037  1
  C  C462  1  0.576546  0.959022  0.438068  1
  C  C463  1  0.077229  0.867781  0.366419  1
  C  C464  1  0.075077  0.503183  0.396298  1
  C  C465  1  0.076534  0.137426  0.426365  1
  C  C466  1  0.423544  0.820116  0.411088  1
  C  C467  1  0.423092  0.455077  0.441734  1
  C  C468  1  0.424624  0.185605  0.381119  1
  C  C469  1  0.859745  0.881799  0.420996  1
  C  C470  1  0.859632  0.516761  0.451440  1
  C  C471  1  0.860120  0.246635  0.390589  1
  C  C472  1  0.639537  0.718493  0.440408  1
  C  C473  1  0.639855  0.448135  0.379727  1
  C  C474  1  0.639714  0.082859  0.409896  1
  C  C475  1  0.139649  0.743208  0.393786  1
  C  C476  1  0.138657  0.378461  0.424380  1
  C  C477  1  0.140516  0.013342  0.454515  1
  C  C478  1  0.359387  0.580275  0.413439  1
  C  C479  1  0.359435  0.214777  0.443699  1
  C  C480  1  0.361657  0.944570  0.382775  1
  C  C481  1  0.139222  0.627473  0.368040  1
  C  C482  1  0.139854  0.262386  0.398134  1
  C  C483  1  0.140957  0.897651  0.428505  1
  C  C484  1  0.360029  0.696145  0.439341  1
  C  C485  1  0.360966  0.425465  0.379115  1
  C  C486  1  0.361633  0.061037  0.408999  1
  C  C487  1  0.859897  0.765529  0.394749  1
  C  C488  1  0.860290  0.400502  0.425239  1
  C  C489  1  0.859443  0.131011  0.364424  1
  C  C490  1  0.639878  0.929307  0.375118  1
  C  C491  1  0.639700  0.564243  0.405982  1
  C  C492  1  0.639996  0.199201  0.436230  1
  C  C493  1  0.923414  0.546362  0.513786  1
  C  C494  1  0.923298  0.181300  0.544330  1
  C  C495  1  0.923294  0.911434  0.483505  1
  C  C496  1  0.576510  0.593977  0.468372  1
  C  C497  1  0.576446  0.228706  0.498692  1
  C  C498  1  0.576332  0.864025  0.529071  1
  C  C499  1  0.076456  0.772694  0.456777  1
  C  C500  1  0.076341  0.407632  0.487322  1
  C  C501  1  0.076461  0.042560  0.517603  1
  C  C502  1  0.423309  0.725288  0.502416  1
  C  C503  1  0.423244  0.360017  0.532735  1
  C  C504  1  0.423422  0.089969  0.472037  1
  C  C505  1  0.859932  0.786867  0.511993  1
  C  C506  1  0.859847  0.421606  0.542296  1
  C  C507  1  0.859828  0.151427  0.481646  1
  C  C508  1  0.640229  0.623194  0.531294  1
  C  C509  1  0.639832  0.353217  0.470873  1
  C  C510  1  0.639874  0.988089  0.501062  1
  C  C511  1  0.140087  0.648655  0.484908  1
  C  C512  1  0.139749  0.283021  0.515202  1
  C  C513  1  0.139771  0.918211  0.545439  1
  C  C514  1  0.359807  0.484987  0.504231  1
  C  C515  1  0.359822  0.119813  0.534673  1
  C  C516  1  0.360033  0.849844  0.473923  1
  C  C517  1  0.139908  0.532387  0.458811  1
  C  C518  1  0.139822  0.167127  0.489114  1
  C  C519  1  0.139926  0.802567  0.519461  1
  C  C520  1  0.359922  0.600777  0.530234  1
  C  C521  1  0.359526  0.330800  0.469814  1
  C  C522  1  0.359880  0.965905  0.500045  1
  C  C523  1  0.860006  0.670973  0.485906  1
  C  C524  1  0.859668  0.305339  0.516199  1
  C  C525  1  0.859983  0.035783  0.455668  1
  C  C526  1  0.639933  0.834181  0.466434  1
  C  C527  1  0.639948  0.469007  0.496877  1
  C  C528  1  0.639721  0.104150  0.527185  1
  C  C529  1  0.924677  0.450811  0.604809  1
  C  C530  1  0.922526  0.086213  0.634688  1
  C  C531  1  0.923221  0.816568  0.574743  1
  C  C532  1  0.576663  0.498916  0.559373  1
  C  C533  1  0.576210  0.133878  0.590019  1
  C  C534  1  0.575131  0.768389  0.619988  1
  C  C535  1  0.076419  0.677715  0.547855  1
  C  C536  1  0.076854  0.312473  0.578057  1
  C  C537  1  0.076795  0.947868  0.608336  1
  C  C538  1  0.422785  0.630342  0.593071  1
  C  C539  1  0.422752  0.265242  0.623723  1
  C  C540  1  0.423208  0.994972  0.563040  1
  C  C541  1  0.859901  0.691608  0.602974  1
  C  C542  1  0.860533  0.326521  0.633067  1
  C  C543  1  0.858797  0.056343  0.572602  1
  C  C544  1  0.638788  0.528528  0.621993  1
  C  C545  1  0.639725  0.257849  0.561766  1
  C  C546  1  0.638122  0.892957  0.592109  1
  C  C547  1  0.139465  0.553491  0.575868  1
  C  C548  1  0.139857  0.188465  0.606358  1
  C  C549  1  0.140311  0.822983  0.636684  1
  C  C550  1  0.360055  0.389751  0.595125  1
  C  C551  1  0.359877  0.024687  0.625990  1
  C  C552  1  0.359759  0.754793  0.564877  1
  C  C553  1  0.140123  0.437233  0.549667  1
  C  C554  1  0.140009  0.072195  0.580112  1
  C  C555  1  0.139635  0.707358  0.610519  1
  C  C556  1  0.359899  0.505859  0.621381  1
  C  C557  1  0.360218  0.235501  0.560700  1
  C  C558  1  0.360040  0.871135  0.591212  1
  C  C559  1  0.861097  0.575533  0.576728  1
  C  C560  1  0.860105  0.210786  0.607322  1
  C  C561  1  0.859239  0.940652  0.546592  1
  C  C562  1  0.640320  0.739216  0.557408  1
  C  C563  1  0.640367  0.373719  0.587669  1
  C  C564  1  0.638097  0.009424  0.618333  1
  C  C565  1  0.923970  0.357096  0.696476  1
  C  C566  1  0.921886  0.994819  0.726802  1
  C  C567  1  0.921970  0.721160  0.665338  1
  C  C568  1  0.577927  0.403473  0.649609  1
  C  C569  1  0.576014  0.040284  0.681651  1
  C  C570  1  0.577451  0.674870  0.711323  1
  C  C571  1  0.077102  0.582656  0.638939  1
  C  C572  1  0.075828  0.217731  0.669498  1
  C  C573  1  0.074409  0.852990  0.699463  1
  C  C574  1  0.426350  0.534433  0.684617  1
  C  C575  1  0.421280  0.170985  0.714997  1
  C  C576  1  0.422563  0.899908  0.654480  1
  C  C577  1  0.858920  0.596316  0.693936  1
  C  C578  1  0.860880  0.232728  0.723207  1
  C  C579  1  0.858668  0.960925  0.663159  1
  C  C580  1  0.642253  0.432273  0.712197  1
  C  C581  1  0.636680  0.163201  0.652560  1
  C  C582  1  0.640108  0.797271  0.682288  1
  C  C583  1  0.141987  0.457948  0.666726  1
  C  C584  1  0.138427  0.093141  0.696767  1
  C  C585  1  0.139916  0.725074  0.726939  1
  C  C586  1  0.360712  0.295432  0.686219  1
  C  C587  1  0.358364  0.931917  0.716020  1
  C  C588  1  0.360189  0.658941  0.656198  1
  C  C589  1  0.140238  0.341883  0.641065  1
  C  C590  1  0.137887  0.977171  0.670827  1
  C  C591  1  0.140282  0.612877  0.700785  1
  C  C592  1  0.359897  0.413864  0.711108  1
  C  C593  1  0.359029  0.140974  0.652043  1
  C  C594  1  0.359302  0.776120  0.682242  1
  C  C595  1  0.862322  0.480241  0.666547  1
  C  C596  1  0.859853  0.114999  0.696805  1
  C  C597  1  0.860067  0.845951  0.637321  1
  C  C598  1  0.639938  0.643561  0.648043  1
  C  C599  1  0.638250  0.279682  0.678934  1
  C  C600  1  0.640584  0.915014  0.708567  1
