# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.50081451
_cell_length_b   19.68123157
_cell_length_c   46.62604576
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.77267550
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe540 C216'
_cell_volume   13239.3069688
_cell_formula_units_Z   108
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  0.649136  0.237409  0.290291  1
  Fe  Fe2  1  0.315803  0.904075  0.290291  1
  Fe  Fe3  1  0.342634  0.190191  0.316430  1
  Fe  Fe4  1  0.038699  0.143266  0.343724  1
  Fe  Fe5  1  0.982470  0.570742  0.290291  1
  Fe  Fe6  1  0.009301  0.856857  0.316430  1
  Fe  Fe7  1  0.705366  0.809933  0.343724  1
  Fe  Fe8  1  0.675967  0.523524  0.316430  1
  Fe  Fe9  1  0.372033  0.476600  0.343724  1
  Fe  Fe10  1  0.339750  0.397271  0.272045  1
  Fe  Fe11  1  0.006416  0.063937  0.272045  1
  Fe  Fe12  1  0.036585  0.348503  0.297483  1
  Fe  Fe13  1  0.733847  0.306228  0.324350  1
  Fe  Fe14  1  0.673083  0.730604  0.272045  1
  Fe  Fe15  1  0.703251  0.015170  0.297483  1
  Fe  Fe16  1  0.400514  0.972895  0.324350  1
  Fe  Fe17  1  0.369918  0.681836  0.297483  1
  Fe  Fe18  1  0.067181  0.639561  0.324350  1
  Fe  Fe19  1  0.488971  0.059498  0.346186  1
  Fe  Fe20  1  0.155638  0.726165  0.346186  1
  Fe  Fe21  1  0.096432  0.150057  0.295508  1
  Fe  Fe22  1  0.792312  0.106205  0.321166  1
  Fe  Fe23  1  0.822305  0.392831  0.346186  1
  Fe  Fe24  1  0.763099  0.816723  0.295508  1
  Fe  Fe25  1  0.458979  0.772871  0.321166  1
  Fe  Fe26  1  0.429766  0.483390  0.295508  1
  Fe  Fe27  1  0.125645  0.439538  0.321166  1
  Fe  Fe28  1  0.621665  0.113598  0.317004  1
  Fe  Fe29  1  0.288332  0.780264  0.317004  1
  Fe  Fe30  1  0.317414  0.066016  0.342552  1
  Fe  Fe31  1  0.922966  0.156768  0.291435  1
  Fe  Fe32  1  0.954999  0.446931  0.317004  1
  Fe  Fe33  1  0.984081  0.732682  0.342552  1
  Fe  Fe34  1  0.589633  0.823435  0.291435  1
  Fe  Fe35  1  0.650747  0.399349  0.342552  1
  Fe  Fe36  1  0.256299  0.490102  0.291435  1
  Fe  Fe37  1  0.455104  0.382962  0.325421  1
  Fe  Fe38  1  0.121770  0.049629  0.325421  1
  Fe  Fe39  1  0.074662  0.468202  0.275803  1
  Fe  Fe40  1  0.758792  0.429758  0.298861  1
  Fe  Fe41  1  0.788437  0.716296  0.325421  1
  Fe  Fe42  1  0.741328  0.134869  0.275803  1
  Fe  Fe43  1  0.425459  0.096424  0.298861  1
  Fe  Fe44  1  0.407995  0.801535  0.275803  1
  Fe  Fe45  1  0.092126  0.763091  0.298861  1
  Fe  Fe46  1  0.509033  0.193495  0.317008  1
  Fe  Fe47  1  0.175700  0.860162  0.317008  1
  Fe  Fe48  1  0.204243  0.145618  0.342600  1
  Fe  Fe49  1  0.813165  0.240040  0.290972  1
  Fe  Fe50  1  0.842367  0.526828  0.317008  1
  Fe  Fe51  1  0.870910  0.812285  0.342600  1
  Fe  Fe52  1  0.479831  0.906707  0.290972  1
  Fe  Fe53  1  0.537576  0.478952  0.342600  1
  Fe  Fe54  1  0.146498  0.573373  0.290972  1
  Fe  Fe55  1  0.567090  0.334416  0.273453  1
  Fe  Fe56  1  0.233757  0.001083  0.273453  1
  Fe  Fe57  1  0.260471  0.288475  0.299647  1
  Fe  Fe58  1  0.959468  0.241519  0.324869  1
  Fe  Fe59  1  0.900423  0.667749  0.273453  1
  Fe  Fe60  1  0.927138  0.955142  0.299647  1
  Fe  Fe61  1  0.626135  0.908185  0.324869  1
  Fe  Fe62  1  0.593804  0.621808  0.299647  1
  Fe  Fe63  1  0.292802  0.574852  0.324869  1
  Fe  Fe64  1  0.569269  0.302930  0.325563  1
  Fe  Fe65  1  0.235936  0.969597  0.325563  1
  Fe  Fe66  1  0.170494  0.373981  0.270274  1
  Fe  Fe67  1  0.872490  0.351429  0.299858  1
  Fe  Fe68  1  0.902602  0.636263  0.325563  1
  Fe  Fe69  1  0.837161  0.040648  0.270274  1
  Fe  Fe70  1  0.539156  0.018096  0.299858  1
  Fe  Fe71  1  0.503828  0.707314  0.270274  1
  Fe  Fe72  1  0.205823  0.684763  0.299858  1
  Fe  Fe73  1  0.583426  0.436377  0.296064  1
  Fe  Fe74  1  0.250093  0.103044  0.296064  1
  Fe  Fe75  1  0.283344  0.390267  0.321385  1
  Fe  Fe76  1  0.888493  0.482825  0.269843  1
  Fe  Fe77  1  0.916759  0.769710  0.296064  1
  Fe  Fe78  1  0.950010  0.056934  0.321385  1
  Fe  Fe79  1  0.555160  0.149492  0.269843  1
  Fe  Fe80  1  0.616677  0.723601  0.321385  1
  Fe  Fe81  1  0.221827  0.816159  0.269843  1
  Fe  Fe82  1  0.421235  0.298346  0.292443  1
  Fe  Fe83  1  0.087901  0.965012  0.292443  1
  Fe  Fe84  1  0.115554  0.255763  0.316873  1
  Fe  Fe85  1  0.813407  0.208721  0.342585  1
  Fe  Fe86  1  0.754568  0.631679  0.292443  1
  Fe  Fe87  1  0.782221  0.922429  0.316873  1
  Fe  Fe88  1  0.480074  0.875387  0.342585  1
  Fe  Fe89  1  0.448888  0.589096  0.316873  1
  Fe  Fe90  1  0.146740  0.542054  0.342585  1
  Fe  Fe91  1  0.735565  0.096342  0.368863  1
  Fe  Fe92  1  0.402232  0.763009  0.368863  1
  Fe  Fe93  1  0.432646  0.049201  0.394312  1
  Fe  Fe94  1  0.129189  0.001986  0.420193  1
  Fe  Fe95  1  0.068898  0.429676  0.368863  1
  Fe  Fe96  1  0.099312  0.715868  0.394312  1
  Fe  Fe97  1  0.795856  0.668653  0.420193  1
  Fe  Fe98  1  0.765979  0.382534  0.394312  1
  Fe  Fe99  1  0.462523  0.335320  0.420193  1
  Fe  Fe100  1  0.430977  0.259080  0.349965  1
  Fe  Fe101  1  0.097644  0.925747  0.349965  1
  Fe  Fe102  1  0.127983  0.212018  0.375463  1
  Fe  Fe103  1  0.824921  0.165018  0.401103  1
  Fe  Fe104  1  0.764310  0.592414  0.349965  1
  Fe  Fe105  1  0.794650  0.878684  0.375463  1
  Fe  Fe106  1  0.491588  0.831685  0.401103  1
  Fe  Fe107  1  0.461317  0.545351  0.375463  1
  Fe  Fe108  1  0.158254  0.498352  0.401103  1
  Fe  Fe109  1  0.579577  0.917698  0.423149  1
  Fe  Fe110  1  0.246243  0.584364  0.423149  1
  Fe  Fe111  1  0.185904  0.011372  0.372118  1
  Fe  Fe112  1  0.882526  0.964790  0.397609  1
  Fe  Fe113  1  0.912910  0.251031  0.423149  1
  Fe  Fe114  1  0.852571  0.678039  0.372118  1
  Fe  Fe115  1  0.549192  0.631457  0.397609  1
  Fe  Fe116  1  0.519238  0.344705  0.372118  1
  Fe  Fe117  1  0.215859  0.298124  0.397609  1
  Fe  Fe118  1  0.711086  0.971811  0.393723  1
  Fe  Fe119  1  0.377753  0.638478  0.393723  1
  Fe  Fe120  1  0.408137  0.924674  0.419283  1
  Fe  Fe121  1  0.013990  0.018603  0.368123  1
  Fe  Fe122  1  0.044420  0.305144  0.393723  1
  Fe  Fe123  1  0.074804  0.591341  0.419283  1
  Fe  Fe124  1  0.680657  0.685270  0.368123  1
  Fe  Fe125  1  0.741470  0.258007  0.419283  1
  Fe  Fe126  1  0.347323  0.351937  0.368123  1
  Fe  Fe127  1  0.546222  0.241975  0.402105  1
  Fe  Fe128  1  0.212888  0.908641  0.402105  1
  Fe  Fe129  1  0.152205  0.336526  0.350903  1
  Fe  Fe130  1  0.848867  0.289584  0.376201  1
  Fe  Fe131  1  0.879555  0.575308  0.402105  1
  Fe  Fe132  1  0.818871  0.003193  0.350903  1
  Fe  Fe133  1  0.515533  0.956251  0.376201  1
  Fe  Fe134  1  0.485538  0.669860  0.350903  1
  Fe  Fe135  1  0.182200  0.622917  0.376201  1
  Fe  Fe136  1  0.597720  0.051804  0.393325  1
  Fe  Fe137  1  0.264387  0.718470  0.393325  1
  Fe  Fe138  1  0.294681  0.004558  0.418957  1
  Fe  Fe139  1  0.901044  0.098771  0.367923  1
  Fe  Fe140  1  0.931053  0.385137  0.393325  1
  Fe  Fe141  1  0.961348  0.671225  0.418957  1
  Fe  Fe142  1  0.567711  0.765438  0.367923  1
  Fe  Fe143  1  0.628015  0.337892  0.418957  1
  Fe  Fe144  1  0.234377  0.432104  0.367923  1
  Fe  Fe145  1  0.656586  0.194346  0.350366  1
  Fe  Fe146  1  0.323252  0.861012  0.350366  1
  Fe  Fe147  1  0.353171  0.147003  0.376014  1
  Fe  Fe148  1  0.049929  0.099965  0.401805  1
  Fe  Fe149  1  0.989919  0.527679  0.350366  1
  Fe  Fe150  1  0.019837  0.813670  0.376014  1
  Fe  Fe151  1  0.716596  0.766632  0.401805  1
  Fe  Fe152  1  0.686504  0.480336  0.376014  1
  Fe  Fe153  1  0.383263  0.433299  0.401805  1
  Fe  Fe154  1  0.659639  0.162346  0.402270  1
  Fe  Fe155  1  0.326306  0.829012  0.402270  1
  Fe  Fe156  1  0.265411  0.256423  0.351221  1
  Fe  Fe157  1  0.962368  0.209902  0.376803  1
  Fe  Fe158  1  0.992973  0.495679  0.402270  1
  Fe  Fe159  1  0.932078  0.923090  0.351221  1
  Fe  Fe160  1  0.629035  0.876569  0.376803  1
  Fe  Fe161  1  0.598745  0.589756  0.351221  1
  Fe  Fe162  1  0.295701  0.543236  0.376803  1
  Fe  Fe163  1  0.677653  0.296484  0.372434  1
  Fe  Fe164  1  0.344319  0.963151  0.372434  1
  Fe  Fe165  1  0.374482  0.249240  0.398137  1
  Fe  Fe166  1  0.980727  0.343710  0.346881  1
  Fe  Fe167  1  0.010986  0.629817  0.372434  1
  Fe  Fe168  1  0.041148  0.915907  0.398137  1
  Fe  Fe169  1  0.647394  0.010377  0.346881  1
  Fe  Fe170  1  0.707815  0.582574  0.398137  1
  Fe  Fe171  1  0.314061  0.677043  0.346881  1
  Fe  Fe172  1  0.509224  0.161076  0.368017  1
  Fe  Fe173  1  0.175891  0.827743  0.368017  1
  Fe  Fe174  1  0.207424  0.113901  0.394044  1
  Fe  Fe175  1  0.904155  0.066993  0.419511  1
  Fe  Fe176  1  0.842557  0.494409  0.368017  1
  Fe  Fe177  1  0.874091  0.780568  0.394044  1
  Fe  Fe178  1  0.570822  0.733660  0.419511  1
  Fe  Fe179  1  0.540757  0.447235  0.394044  1
  Fe  Fe180  1  0.237488  0.400327  0.419511  1
  Fe  Fe181  1  0.826157  0.954933  0.445727  1
  Fe  Fe182  1  0.492824  0.621600  0.445727  1
  Fe  Fe183  1  0.523178  0.907860  0.471263  1
  Fe  Fe184  1  0.220140  0.860747  0.496880  1
  Fe  Fe185  1  0.159490  0.288267  0.445727  1
  Fe  Fe186  1  0.189844  0.574527  0.471263  1
  Fe  Fe187  1  0.886807  0.527414  0.496880  1
  Fe  Fe188  1  0.856511  0.241193  0.471263  1
  Fe  Fe189  1  0.553474  0.194080  0.496880  1
  Fe  Fe190  1  0.521841  0.117798  0.426682  1
  Fe  Fe191  1  0.188508  0.784465  0.426682  1
  Fe  Fe192  1  0.218816  0.070710  0.452305  1
  Fe  Fe193  1  0.915778  0.023649  0.477878  1
  Fe  Fe194  1  0.855175  0.451131  0.426682  1
  Fe  Fe195  1  0.885483  0.737377  0.452305  1
  Fe  Fe196  1  0.582445  0.690315  0.477878  1
  Fe  Fe197  1  0.552149  0.404044  0.452305  1
  Fe  Fe198  1  0.249111  0.356982  0.477878  1
  Fe  Fe199  1  0.670500  0.776352  0.499911  1
  Fe  Fe200  1  0.337167  0.443019  0.499911  1
  Fe  Fe201  1  0.276590  0.870449  0.448752  1
  Fe  Fe202  1  0.973532  0.823429  0.474335  1
  Fe  Fe203  1  0.003834  0.109685  0.499911  1
  Fe  Fe204  1  0.943256  0.537116  0.448752  1
  Fe  Fe205  1  0.640199  0.490096  0.474335  1
  Fe  Fe206  1  0.609923  0.203782  0.448752  1
  Fe  Fe207  1  0.306866  0.156763  0.474335  1
  Fe  Fe208  1  0.802015  0.830486  0.470468  1
  Fe  Fe209  1  0.468682  0.497153  0.470468  1
  Fe  Fe210  1  0.498970  0.783388  0.496043  1
  Fe  Fe211  1  0.105111  0.877521  0.444868  1
  Fe  Fe212  1  0.135349  0.163820  0.470468  1
  Fe  Fe213  1  0.165637  0.450055  0.496043  1
  Fe  Fe214  1  0.771778  0.544188  0.444868  1
  Fe  Fe215  1  0.832304  0.116721  0.496043  1
  Fe  Fe216  1  0.438444  0.210855  0.444868  1
  Fe  Fe217  1  0.636885  0.101000  0.478677  1
  Fe  Fe218  1  0.303551  0.767667  0.478677  1
  Fe  Fe219  1  0.243130  0.195116  0.427645  1
  Fe  Fe220  1  0.939930  0.148119  0.453115  1
  Fe  Fe221  1  0.970218  0.434334  0.478677  1
  Fe  Fe222  1  0.909797  0.861783  0.427645  1
  Fe  Fe223  1  0.606596  0.814786  0.453115  1
  Fe  Fe224  1  0.576464  0.528449  0.427645  1
  Fe  Fe225  1  0.273263  0.481452  0.453115  1
  Fe  Fe226  1  0.688631  0.910459  0.470134  1
  Fe  Fe227  1  0.355298  0.577126  0.470134  1
  Fe  Fe228  1  0.385564  0.863365  0.495704  1
  Fe  Fe229  1  0.991686  0.957514  0.444568  1
  Fe  Fe230  1  0.021964  0.243793  0.470134  1
  Fe  Fe231  1  0.052231  0.530032  0.495704  1
  Fe  Fe232  1  0.658353  0.624180  0.444568  1
  Fe  Fe233  1  0.718898  0.196698  0.495704  1
  Fe  Fe234  1  0.325020  0.290847  0.444568  1
  Fe  Fe235  1  0.746934  0.052963  0.427346  1
  Fe  Fe236  1  0.413601  0.719630  0.427346  1
  Fe  Fe237  1  0.443989  0.005820  0.452894  1
  Fe  Fe238  1  0.140934  0.958724  0.478512  1
  Fe  Fe239  1  0.080268  0.386297  0.427346  1
  Fe  Fe240  1  0.110655  0.672486  0.452894  1
  Fe  Fe241  1  0.807601  0.625391  0.478512  1
  Fe  Fe242  1  0.777322  0.339153  0.452894  1
  Fe  Fe243  1  0.474267  0.292057  0.478512  1
  Fe  Fe244  1  0.750309  0.021064  0.479048  1
  Fe  Fe245  1  0.416975  0.687731  0.479048  1
  Fe  Fe246  1  0.356481  0.115101  0.427849  1
  Fe  Fe247  1  0.053296  0.068147  0.453452  1
  Fe  Fe248  1  0.083642  0.354398  0.479048  1
  Fe  Fe249  1  0.023148  0.781768  0.427849  1
  Fe  Fe250  1  0.719962  0.734814  0.453452  1
  Fe  Fe251  1  0.689815  0.448435  0.427849  1
  Fe  Fe252  1  0.386629  0.401480  0.453452  1
  Fe  Fe253  1  0.768423  0.155155  0.449236  1
  Fe  Fe254  1  0.435090  0.821821  0.449236  1
  Fe  Fe255  1  0.465414  0.108054  0.474820  1
  Fe  Fe256  1  0.071486  0.202258  0.423693  1
  Fe  Fe257  1  0.101757  0.488488  0.449236  1
  Fe  Fe258  1  0.132081  0.774720  0.474820  1
  Fe  Fe259  1  0.738153  0.868924  0.423693  1
  Fe  Fe260  1  0.798747  0.441387  0.474820  1
  Fe  Fe261  1  0.404819  0.535591  0.423693  1
  Fe  Fe262  1  0.600939  0.019855  0.445041  1
  Fe  Fe263  1  0.267606  0.686522  0.445041  1
  Fe  Fe264  1  0.298113  0.972707  0.470694  1
  Fe  Fe265  1  0.995070  0.925636  0.496252  1
  Fe  Fe266  1  0.934273  0.353188  0.445041  1
  Fe  Fe267  1  0.964779  0.639374  0.470694  1
  Fe  Fe268  1  0.661737  0.592303  0.496252  1
  Fe  Fe269  1  0.631446  0.306041  0.470694  1
  Fe  Fe270  1  0.328403  0.258969  0.496252  1
  Fe  Fe271  1  0.917107  0.813631  0.522452  1
  Fe  Fe272  1  0.583773  0.480298  0.522452  1
  Fe  Fe273  1  0.614069  0.766569  0.548025  1
  Fe  Fe274  1  0.311043  0.719482  0.573648  1
  Fe  Fe275  1  0.250440  0.146964  0.522452  1
  Fe  Fe276  1  0.280735  0.433236  0.548025  1
  Fe  Fe277  1  0.977710  0.386148  0.573648  1
  Fe  Fe278  1  0.947402  0.099903  0.548025  1
  Fe  Fe279  1  0.644377  0.052815  0.573648  1
  Fe  Fe280  1  0.612744  0.976533  0.503450  1
  Fe  Fe281  1  0.279411  0.643199  0.503450  1
  Fe  Fe282  1  0.309707  0.929420  0.529067  1
  Fe  Fe283  1  0.006728  0.882346  0.554603  1
  Fe  Fe284  1  0.946078  0.309866  0.503450  1
  Fe  Fe285  1  0.976374  0.596086  0.529067  1
  Fe  Fe286  1  0.673394  0.549013  0.554603  1
  Fe  Fe287  1  0.643040  0.262753  0.529067  1
  Fe  Fe288  1  0.340061  0.215680  0.554603  1
  Fe  Fe289  1  0.761399  0.635022  0.576637  1
  Fe  Fe290  1  0.428065  0.301689  0.576637  1
  Fe  Fe291  1  0.367471  0.729226  0.525510  1
  Fe  Fe292  1  0.064461  0.682125  0.551094  1
  Fe  Fe293  1  0.094732  0.968355  0.576637  1
  Fe  Fe294  1  0.034137  0.395893  0.525510  1
  Fe  Fe295  1  0.731128  0.348792  0.551094  1
  Fe  Fe296  1  0.700804  0.062559  0.525510  1
  Fe  Fe297  1  0.397795  0.015459  0.551094  1
  Fe  Fe298  1  0.892955  0.689161  0.547215  1
  Fe  Fe299  1  0.559622  0.355827  0.547215  1
  Fe  Fe300  1  0.589754  0.642164  0.572685  1
  Fe  Fe301  1  0.196000  0.736280  0.521653  1
  Fe  Fe302  1  0.226288  0.022494  0.547215  1
  Fe  Fe303  1  0.256421  0.308830  0.572685  1
  Fe  Fe304  1  0.862667  0.402946  0.521653  1
  Fe  Fe305  1  0.923088  0.975497  0.572685  1
  Fe  Fe306  1  0.529333  0.069613  0.521653  1
  Fe  Fe307  1  0.727774  0.959758  0.555462  1
  Fe  Fe308  1  0.394440  0.626425  0.555462  1
  Fe  Fe309  1  0.333914  0.053892  0.504287  1
  Fe  Fe310  1  0.030869  0.006793  0.529863  1
  Fe  Fe311  1  0.061107  0.293092  0.555462  1
  Fe  Fe312  1  0.000581  0.720558  0.504287  1
  Fe  Fe313  1  0.697536  0.673460  0.529863  1
  Fe  Fe314  1  0.667248  0.387225  0.504287  1
  Fe  Fe315  1  0.364203  0.340127  0.529863  1
  Fe  Fe316  1  0.779589  0.769133  0.546878  1
  Fe  Fe317  1  0.446256  0.435799  0.546878  1
  Fe  Fe318  1  0.476403  0.722178  0.572481  1
  Fe  Fe319  1  0.082576  0.816215  0.521282  1
  Fe  Fe320  1  0.112922  0.102466  0.546878  1
  Fe  Fe321  1  0.143070  0.388845  0.572481  1
  Fe  Fe322  1  0.749243  0.482882  0.521282  1
  Fe  Fe323  1  0.809737  0.055512  0.572481  1
  Fe  Fe324  1  0.415909  0.149549  0.521282  1
  Fe  Fe325  1  0.837815  0.911644  0.504078  1
  Fe  Fe326  1  0.504481  0.578310  0.504078  1
  Fe  Fe327  1  0.534772  0.864572  0.529636  1
  Fe  Fe328  1  0.231945  0.817425  0.555289  1
  Fe  Fe329  1  0.171148  0.244977  0.504078  1
  Fe  Fe330  1  0.201438  0.531239  0.529636  1
  Fe  Fe331  1  0.898612  0.484092  0.555289  1
  Fe  Fe332  1  0.868105  0.197906  0.529636  1
  Fe  Fe333  1  0.565279  0.150758  0.555289  1
  Fe  Fe334  1  0.841198  0.879766  0.555762  1
  Fe  Fe335  1  0.507865  0.546433  0.555762  1
  Fe  Fe336  1  0.447320  0.973915  0.504627  1
  Fe  Fe337  1  0.144254  0.926821  0.530196  1
  Fe  Fe338  1  0.174532  0.213099  0.555762  1
  Fe  Fe339  1  0.113987  0.640581  0.504627  1
  Fe  Fe340  1  0.810920  0.593487  0.530196  1
  Fe  Fe341  1  0.780654  0.307248  0.504627  1
  Fe  Fe342  1  0.477587  0.260154  0.530196  1
  Fe  Fe343  1  0.859352  0.013850  0.525995  1
  Fe  Fe344  1  0.526019  0.680517  0.525995  1
  Fe  Fe345  1  0.556295  0.966831  0.551578  1
  Fe  Fe346  1  0.162384  0.060928  0.500419  1
  Fe  Fe347  1  0.192686  0.347184  0.525995  1
  Fe  Fe348  1  0.222962  0.633497  0.551578  1
  Fe  Fe349  1  0.829051  0.727594  0.500419  1
  Fe  Fe350  1  0.889628  0.300164  0.551578  1
  Fe  Fe351  1  0.495718  0.394261  0.500419  1
  Fe  Fe352  1  0.691951  0.878556  0.521818  1
  Fe  Fe353  1  0.358617  0.545223  0.521818  1
  Fe  Fe354  1  0.388896  0.831460  0.547436  1
  Fe  Fe355  1  0.085950  0.784316  0.572984  1
  Fe  Fe356  1  0.025284  0.211889  0.521818  1
  Fe  Fe357  1  0.055563  0.498127  0.547436  1
  Fe  Fe358  1  0.752617  0.450983  0.572984  1
  Fe  Fe359  1  0.722229  0.164793  0.547436  1
  Fe  Fe360  1  0.419284  0.117650  0.572984  1
  Fe  Fe361  1  0.007964  0.672261  0.599227  1
  Fe  Fe362  1  0.674630  0.338928  0.599227  1
  Fe  Fe363  1  0.704901  0.625262  0.624867  1
  Fe  Fe364  1  0.401908  0.578199  0.650365  1
  Fe  Fe365  1  0.341297  0.005595  0.599227  1
  Fe  Fe366  1  0.371568  0.291929  0.624867  1
  Fe  Fe367  1  0.068574  0.244866  0.650365  1
  Fe  Fe368  1  0.038235  0.958595  0.624867  1
  Fe  Fe369  1  0.735241  0.911533  0.650365  1
  Fe  Fe370  1  0.703695  0.835293  0.580137  1
  Fe  Fe371  1  0.370362  0.501960  0.580137  1
  Fe  Fe372  1  0.400239  0.788079  0.606018  1
  Fe  Fe373  1  0.097319  0.740937  0.631467  1
  Fe  Fe374  1  0.037029  0.168627  0.580137  1
  Fe  Fe375  1  0.066906  0.454745  0.606018  1
  Fe  Fe376  1  0.763986  0.407604  0.631467  1
  Fe  Fe377  1  0.733572  0.121412  0.606018  1
  Fe  Fe378  1  0.430653  0.074271  0.631467  1
  Fe  Fe379  1  0.852157  0.493570  0.653449  1
  Fe  Fe380  1  0.518824  0.160236  0.653449  1
  Fe  Fe381  1  0.458403  0.588039  0.602193  1
  Fe  Fe382  1  0.155232  0.540796  0.627896  1
  Fe  Fe383  1  0.185490  0.826903  0.653449  1
  Fe  Fe384  1  0.125069  0.254706  0.602193  1
  Fe  Fe385  1  0.821899  0.207462  0.627896  1
  Fe  Fe386  1  0.791736  0.921373  0.602193  1
  Fe  Fe387  1  0.488565  0.874129  0.627896  1
  Fe  Fe388  1  0.984018  0.547696  0.624130  1
  Fe  Fe389  1  0.650685  0.214362  0.624130  1
  Fe  Fe390  1  0.680680  0.500753  0.649427  1
  Fe  Fe391  1  0.286663  0.595305  0.598225  1
  Fe  Fe392  1  0.317351  0.881029  0.624130  1
  Fe  Fe393  1  0.347347  0.167420  0.649427  1
  Fe  Fe394  1  0.953330  0.261972  0.598225  1
  Fe  Fe395  1  0.014013  0.834087  0.649427  1
  Fe  Fe396  1  0.619996  0.928638  0.598225  1
  Fe  Fe397  1  0.818894  0.818677  0.632208  1
  Fe  Fe398  1  0.485561  0.485343  0.632208  1
  Fe  Fe399  1  0.424748  0.912606  0.581047  1
  Fe  Fe400  1  0.121798  0.865469  0.606607  1
  Fe  Fe401  1  0.152228  0.152010  0.632208  1
  Fe  Fe402  1  0.091414  0.579272  0.581047  1
  Fe  Fe403  1  0.788465  0.532135  0.606607  1
  Fe  Fe404  1  0.758081  0.245939  0.581047  1
  Fe  Fe405  1  0.455132  0.198802  0.606607  1
  Fe  Fe406  1  0.870517  0.627377  0.623527  1
  Fe  Fe407  1  0.537183  0.294044  0.623527  1
  Fe  Fe408  1  0.567473  0.580857  0.649109  1
  Fe  Fe409  1  0.173245  0.674934  0.598060  1
  Fe  Fe410  1  0.203850  0.960711  0.623527  1
  Fe  Fe411  1  0.234140  0.247523  0.649109  1
  Fe  Fe412  1  0.839912  0.341601  0.598060  1
  Fe  Fe413  1  0.900807  0.914190  0.649109  1
  Fe  Fe414  1  0.506579  0.008267  0.598060  1
  Fe  Fe415  1  0.928730  0.770286  0.580819  1
  Fe  Fe416  1  0.595396  0.436953  0.580819  1
  Fe  Fe417  1  0.625461  0.723378  0.606286  1
  Fe  Fe418  1  0.323661  0.676204  0.632313  1
  Fe  Fe419  1  0.262063  0.103620  0.580819  1
  Fe  Fe420  1  0.292127  0.390045  0.606286  1
  Fe  Fe421  1  0.990327  0.342870  0.632313  1
  Fe  Fe422  1  0.958794  0.056712  0.606286  1
  Fe  Fe423  1  0.656994  0.009537  0.632313  1
  Fe  Fe424  1  0.931840  0.738509  0.632407  1
  Fe  Fe425  1  0.598507  0.405175  0.632407  1
  Fe  Fe426  1  0.538203  0.832721  0.581373  1
  Fe  Fe427  1  0.235165  0.785476  0.607005  1
  Fe  Fe428  1  0.265174  0.071842  0.632407  1
  Fe  Fe429  1  0.204870  0.499388  0.581373  1
  Fe  Fe430  1  0.901831  0.452143  0.607005  1
  Fe  Fe431  1  0.871537  0.166055  0.581373  1
  Fe  Fe432  1  0.568498  0.118809  0.607005  1
  Fe  Fe433  1  0.950359  0.872489  0.602721  1
  Fe  Fe434  1  0.617026  0.539156  0.602721  1
  Fe  Fe435  1  0.646980  0.825908  0.628212  1
  Fe  Fe436  1  0.253308  0.919582  0.577182  1
  Fe  Fe437  1  0.283692  0.205823  0.602721  1
  Fe  Fe438  1  0.313647  0.492575  0.628212  1
  Fe  Fe439  1  0.919975  0.586249  0.577182  1
  Fe  Fe440  1  0.980314  0.159241  0.628212  1
  Fe  Fe441  1  0.586641  0.252915  0.577182  1
  Fe  Fe442  1  0.782955  0.737314  0.598525  1
  Fe  Fe443  1  0.449622  0.403981  0.598525  1
  Fe  Fe444  1  0.479714  0.690277  0.624316  1
  Fe  Fe445  1  0.176299  0.642934  0.649964  1
  Fe  Fe446  1  0.116289  0.070648  0.598525  1
  Fe  Fe447  1  0.146381  0.356943  0.624316  1
  Fe  Fe448  1  0.842966  0.309601  0.649964  1
  Fe  Fe449  1  0.813047  0.023610  0.624316  1
  Fe  Fe450  1  0.509632  0.976267  0.649964  1
  Fe  Fe451  1  0.099037  0.531052  0.675980  1
  Fe  Fe452  1  0.765704  0.197718  0.675980  1
  Fe  Fe453  1  0.796300  0.488777  0.702847  1
  Fe  Fe454  1  0.493135  0.440009  0.728285  1
  Fe  Fe455  1  0.432371  0.864385  0.675980  1
  Fe  Fe456  1  0.462967  0.155443  0.702847  1
  Fe  Fe457  1  0.159801  0.106676  0.728285  1
  Fe  Fe458  1  0.129633  0.822110  0.702847  1
  Fe  Fe459  1  0.826468  0.773342  0.728285  1
  Fe  Fe460  1  0.794185  0.694013  0.656606  1
  Fe  Fe461  1  0.460852  0.360680  0.656606  1
  Fe  Fe462  1  0.490251  0.647089  0.683900  1
  Fe  Fe463  1  0.183748  0.599871  0.710040  1
  Fe  Fe464  1  0.127518  0.027347  0.656606  1
  Fe  Fe465  1  0.156917  0.313756  0.683900  1
  Fe  Fe466  1  0.850415  0.266538  0.710040  1
  Fe  Fe467  1  0.823584  0.980422  0.683900  1
  Fe  Fe468  1  0.517082  0.933204  0.710040  1
  Fe  Fe469  1  0.944391  0.354455  0.730487  1
  Fe  Fe470  1  0.611058  0.021121  0.730487  1
  Fe  Fe471  1  0.549541  0.447012  0.678946  1
  Fe  Fe472  1  0.249459  0.400903  0.704267  1
  Fe  Fe473  1  0.277725  0.687788  0.730487  1
  Fe  Fe474  1  0.216208  0.113679  0.678946  1
  Fe  Fe475  1  0.916125  0.067570  0.704267  1
  Fe  Fe476  1  0.882874  0.780346  0.678946  1
  Fe  Fe477  1  0.582792  0.734236  0.704267  1
  Fe  Fe478  1  0.074092  0.407522  0.701469  1
  Fe  Fe479  1  0.740759  0.074189  0.701469  1
  Fe  Fe480  1  0.758223  0.369078  0.724527  1
  Fe  Fe481  1  0.377781  0.454318  0.674909  1
  Fe  Fe482  1  0.407426  0.740855  0.701469  1
  Fe  Fe483  1  0.424890  0.035744  0.724527  1
  Fe  Fe484  1  0.044448  0.120984  0.674909  1
  Fe  Fe485  1  0.091556  0.702411  0.724527  1
  Fe  Fe486  1  0.711114  0.787651  0.674909  1
  Fe  Fe487  1  0.909919  0.680511  0.708896  1
  Fe  Fe488  1  0.576585  0.347178  0.708896  1
  Fe  Fe489  1  0.515471  0.771264  0.657778  1
  Fe  Fe490  1  0.211219  0.723682  0.683327  1
  Fe  Fe491  1  0.243252  0.013845  0.708896  1
  Fe  Fe492  1  0.182137  0.437931  0.657778  1
  Fe  Fe493  1  0.877886  0.390349  0.683327  1
  Fe  Fe494  1  0.848804  0.104597  0.657778  1
  Fe  Fe495  1  0.544553  0.057016  0.683327  1
  Fe  Fe496  1  0.960395  0.485850  0.700472  1
  Fe  Fe497  1  0.627061  0.152517  0.700472  1
  Fe  Fe498  1  0.662390  0.463299  0.730057  1
  Fe  Fe499  1  0.263616  0.534350  0.674767  1
  Fe  Fe500  1  0.293728  0.819184  0.700472  1
  Fe  Fe501  1  0.329057  0.129965  0.730057  1
  Fe  Fe502  1  0.930282  0.201016  0.674767  1
  Fe  Fe503  1  0.995724  0.796632  0.730057  1
  Fe  Fe504  1  0.596949  0.867683  0.674767  1
  Fe  Fe505  1  0.019478  0.628559  0.657745  1
  Fe  Fe506  1  0.686144  0.295226  0.657745  1
  Fe  Fe507  1  0.717330  0.581517  0.683457  1
  Fe  Fe508  1  0.411650  0.538934  0.707887  1
  Fe  Fe509  1  0.352811  0.961893  0.657745  1
  Fe  Fe510  1  0.383997  0.248184  0.683457  1
  Fe  Fe511  1  0.078317  0.205601  0.707887  1
  Fe  Fe512  1  0.050664  0.914850  0.683457  1
  Fe  Fe513  1  0.744983  0.872267  0.707887  1
  Fe  Fe514  1  0.019720  0.597240  0.709358  1
  Fe  Fe515  1  0.686387  0.263907  0.709358  1
  Fe  Fe516  1  0.628642  0.691661  0.657730  1
  Fe  Fe517  1  0.323851  0.643785  0.683322  1
  Fe  Fe518  1  0.353053  0.930573  0.709358  1
  Fe  Fe519  1  0.295308  0.358328  0.657730  1
  Fe  Fe520  1  0.990518  0.310451  0.683322  1
  Fe  Fe521  1  0.961975  0.024995  0.657730  1
  Fe  Fe522  1  0.657185  0.977118  0.683322  1
  Fe  Fe523  1  0.040573  0.731075  0.679164  1
  Fe  Fe524  1  0.707239  0.397742  0.679164  1
  Fe  Fe525  1  0.736452  0.687223  0.704823  1
  Fe  Fe526  1  0.343913  0.777782  0.654144  1
  Fe  Fe527  1  0.373906  0.064408  0.679164  1
  Fe  Fe528  1  0.403119  0.353890  0.704823  1
  Fe  Fe529  1  0.010580  0.444448  0.654144  1
  Fe  Fe530  1  0.069786  0.020556  0.704823  1
  Fe  Fe531  1  0.677247  0.111115  0.654144  1
  Fe  Fe532  1  0.873416  0.595761  0.675461  1
  Fe  Fe533  1  0.540083  0.262428  0.675461  1
  Fe  Fe534  1  0.572414  0.548805  0.700683  1
  Fe  Fe535  1  0.265795  0.502864  0.726877  1
  Fe  Fe536  1  0.206750  0.929094  0.675461  1
  Fe  Fe537  1  0.239080  0.215471  0.700683  1
  Fe  Fe538  1  0.932461  0.169530  0.726877  1
  Fe  Fe539  1  0.905747  0.882138  0.700683  1
  Fe  Fe540  1  0.599128  0.836197  0.726877  1
  C  C541  1  0.520586  0.241233  0.281035  1
  C  C542  1  0.187253  0.907899  0.281035  1
  C  C543  1  0.214365  0.195122  0.307040  1
  C  C544  1  0.912162  0.148445  0.332408  1
  C  C545  1  0.853919  0.574566  0.281035  1
  C  C546  1  0.881031  0.861789  0.307040  1
  C  C547  1  0.578829  0.815111  0.332408  1
  C  C548  1  0.547698  0.528456  0.307040  1
  C  C549  1  0.245495  0.481778  0.332408  1
  C  C550  1  0.655530  0.361269  0.303075  1
  C  C551  1  0.322196  0.027936  0.303075  1
  C  C552  1  0.352420  0.313576  0.328504  1
  C  C553  1  0.961361  0.408751  0.277856  1
  C  C554  1  0.988863  0.694602  0.303075  1
  C  C555  1  0.019087  0.980243  0.328504  1
  C  C556  1  0.628027  0.075418  0.277856  1
  C  C557  1  0.685753  0.646909  0.328504  1
  C  C558  1  0.294694  0.742084  0.277856  1
  C  C559  1  0.419441  0.135675  0.338554  1
  C  C560  1  0.086107  0.802342  0.338554  1
  C  C561  1  0.025993  0.225762  0.287957  1
  C  C562  1  0.724171  0.182885  0.313032  1
  C  C563  1  0.752774  0.469008  0.338554  1
  C  C564  1  0.692659  0.892429  0.287957  1
  C  C565  1  0.390837  0.849551  0.313032  1
  C  C566  1  0.359326  0.559095  0.287957  1
  C  C567  1  0.057504  0.516218  0.313032  1
  C  C568  1  0.465208  0.391890  0.284464  1
  C  C569  1  0.131874  0.058556  0.284464  1
  C  C570  1  0.162877  0.349206  0.310126  1
  C  C571  1  0.860840  0.301970  0.335430  1
  C  C572  1  0.798541  0.725223  0.284464  1
  C  C573  1  0.829543  0.015873  0.310126  1
  C  C574  1  0.527507  0.968636  0.335430  1
  C  C575  1  0.496210  0.682540  0.310126  1
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