# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.03252863
_cell_length_b   17.26356471
_cell_length_c   47.06400212
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.91053864
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe540 C216'
_cell_volume   13240.41246
_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  0.764286  0.878946  0.341430  1
  Fe  Fe2  1  0.543981  0.599018  0.289736  1
  Fe  Fe3  1  0.764286  0.545612  0.341430  1
  Fe  Fe4  1  0.153816  0.240392  0.315860  1
  Fe  Fe5  1  0.153816  0.907059  0.315860  1
  Fe  Fe6  1  0.153816  0.573725  0.315860  1
  Fe  Fe7  1  0.543981  0.265684  0.289736  1
  Fe  Fe8  1  0.764286  0.212279  0.341430  1
  Fe  Fe9  1  0.543981  0.932351  0.289736  1
  Fe  Fe10  1  0.508350  0.795743  0.299692  1
  Fe  Fe11  1  0.120006  0.435201  0.325850  1
  Fe  Fe12  1  0.508350  0.462410  0.299692  1
  Fe  Fe13  1  0.901400  0.155747  0.273682  1
  Fe  Fe14  1  0.901400  0.822414  0.273682  1
  Fe  Fe15  1  0.901400  0.489081  0.273682  1
  Fe  Fe16  1  0.120006  0.101868  0.325850  1
  Fe  Fe17  1  0.508350  0.129076  0.299692  1
  Fe  Fe18  1  0.120006  0.768534  0.325850  1
  Fe  Fe19  1  0.844604  0.013869  0.280380  1
  Fe  Fe20  1  0.443631  0.664022  0.307310  1
  Fe  Fe21  1  0.844604  0.680536  0.280380  1
  Fe  Fe22  1  0.052734  0.301970  0.331873  1
  Fe  Fe23  1  0.052734  0.968637  0.331873  1
  Fe  Fe24  1  0.052734  0.635303  0.331873  1
  Fe  Fe25  1  0.443631  0.330689  0.307310  1
  Fe  Fe26  1  0.844604  0.347202  0.280380  1
  Fe  Fe27  1  0.443631  0.997355  0.307310  1
  Fe  Fe28  1  0.698653  0.993083  0.307757  1
  Fe  Fe29  1  0.310454  0.633791  0.333696  1
  Fe  Fe30  1  0.698653  0.659749  0.307757  1
  Fe  Fe31  1  0.088116  0.354088  0.282455  1
  Fe  Fe32  1  0.088116  0.020755  0.282455  1
  Fe  Fe33  1  0.088116  0.687421  0.282455  1
  Fe  Fe34  1  0.310454  0.300458  0.333696  1
  Fe  Fe35  1  0.698653  0.326416  0.307757  1
  Fe  Fe36  1  0.310454  0.967125  0.333696  1
  Fe  Fe37  1  0.573460  0.681690  0.333375  1
  Fe  Fe38  1  0.350707  0.402486  0.282443  1
  Fe  Fe39  1  0.573460  0.348357  0.333375  1
  Fe  Fe40  1  0.963044  0.042952  0.307351  1
  Fe  Fe41  1  0.963044  0.709619  0.307351  1
  Fe  Fe42  1  0.963044  0.376286  0.307351  1
  Fe  Fe43  1  0.350707  0.069153  0.282443  1
  Fe  Fe44  1  0.573460  0.015024  0.333375  1
  Fe  Fe45  1  0.350707  0.735820  0.282443  1
  Fe  Fe46  1  0.880670  0.910531  0.310477  1
  Fe  Fe47  1  0.491880  0.551202  0.336364  1
  Fe  Fe48  1  0.880670  0.577198  0.310477  1
  Fe  Fe49  1  0.270304  0.272056  0.284318  1
  Fe  Fe50  1  0.270304  0.938723  0.284318  1
  Fe  Fe51  1  0.270304  0.605389  0.284318  1
  Fe  Fe52  1  0.491880  0.217869  0.336364  1
  Fe  Fe53  1  0.880670  0.243864  0.310477  1
  Fe  Fe54  1  0.491880  0.884535  0.336364  1
  Fe  Fe55  1  0.670134  0.859037  0.300147  1
  Fe  Fe56  1  0.281082  0.498924  0.325736  1
  Fe  Fe57  1  0.670134  0.525703  0.300147  1
  Fe  Fe58  1  0.059443  0.219113  0.274119  1
  Fe  Fe59  1  0.059443  0.885780  0.274119  1
  Fe  Fe60  1  0.059443  0.552447  0.274119  1
  Fe  Fe61  1  0.281082  0.165591  0.325736  1
  Fe  Fe62  1  0.670134  0.192370  0.300147  1
  Fe  Fe63  1  0.281082  0.832257  0.325736  1
  Fe  Fe64  1  0.391272  0.763826  0.331145  1
  Fe  Fe65  1  0.169321  0.483049  0.277757  1
  Fe  Fe66  1  0.391272  0.430492  0.331145  1
  Fe  Fe67  1  0.779037  0.121585  0.303227  1
  Fe  Fe68  1  0.779037  0.788252  0.303227  1
  Fe  Fe69  1  0.779037  0.454919  0.303227  1
  Fe  Fe70  1  0.169321  0.149716  0.277757  1
  Fe  Fe71  1  0.391272  0.097159  0.331145  1
  Fe  Fe72  1  0.169320  0.816383  0.277757  1
  Fe  Fe73  1  0.608874  0.731925  0.283827  1
  Fe  Fe74  1  0.219623  0.373233  0.309627  1
  Fe  Fe75  1  0.608874  0.398591  0.283827  1
  Fe  Fe76  1  0.831130  0.013219  0.334849  1
  Fe  Fe77  1  0.831130  0.679885  0.334849  1
  Fe  Fe78  1  0.831130  0.346552  0.334849  1
  Fe  Fe79  1  0.219623  0.039899  0.309627  1
  Fe  Fe80  1  0.608874  0.065258  0.283827  1
  Fe  Fe81  1  0.219623  0.706566  0.309627  1
  Fe  Fe82  1  0.602501  0.815714  0.341485  1
  Fe  Fe83  1  0.379070  0.539910  0.289851  1
  Fe  Fe84  1  0.602501  0.482380  0.341485  1
  Fe  Fe85  1  0.989701  0.176116  0.315819  1
  Fe  Fe86  1  0.989701  0.842783  0.315819  1
  Fe  Fe87  1  0.989701  0.509450  0.315819  1
  Fe  Fe88  1  0.379070  0.206577  0.289851  1
  Fe  Fe89  1  0.602501  0.149047  0.341485  1
  Fe  Fe90  1  0.379070  0.873243  0.289851  1
  Fe  Fe91  1  0.597556  0.799473  0.418260  1
  Fe  Fe92  1  0.375467  0.520060  0.367068  1
  Fe  Fe93  1  0.597556  0.466140  0.418260  1
  Fe  Fe94  1  0.986620  0.159202  0.392556  1
  Fe  Fe95  1  0.986620  0.825869  0.392556  1
  Fe  Fe96  1  0.986620  0.492535  0.392556  1
  Fe  Fe97  1  0.375467  0.186727  0.367068  1
  Fe  Fe98  1  0.597556  0.132806  0.418260  1
  Fe  Fe99  1  0.375467  0.853394  0.367068  1
  Fe  Fe100  1  0.341430  0.714797  0.376815  1
  Fe  Fe101  1  0.951805  0.354639  0.402368  1
  Fe  Fe102  1  0.341430  0.381464  0.376815  1
  Fe  Fe103  1  0.730731  0.074740  0.351007  1
  Fe  Fe104  1  0.730731  0.741407  0.351007  1
  Fe  Fe105  1  0.730731  0.408073  0.351007  1
  Fe  Fe106  1  0.951805  0.021305  0.402368  1
  Fe  Fe107  1  0.341430  0.048130  0.376815  1
  Fe  Fe108  1  0.951805  0.687972  0.402368  1
  Fe  Fe109  1  0.664108  0.941940  0.357509  1
  Fe  Fe110  1  0.275163  0.581831  0.383156  1
  Fe  Fe111  1  0.664108  0.608607  0.357509  1
  Fe  Fe112  1  0.886276  0.221658  0.408682  1
  Fe  Fe113  1  0.886276  0.888325  0.408682  1
  Fe  Fe114  1  0.886276  0.554991  0.408682  1
  Fe  Fe115  1  0.275163  0.248498  0.383156  1
  Fe  Fe116  1  0.664108  0.275274  0.357509  1
  Fe  Fe117  1  0.275163  0.915164  0.383156  1
  Fe  Fe118  1  0.532624  0.913185  0.384773  1
  Fe  Fe119  1  0.143432  0.553062  0.410347  1
  Fe  Fe120  1  0.532624  0.579851  0.384773  1
  Fe  Fe121  1  0.921350  0.273203  0.358958  1
  Fe  Fe122  1  0.921350  0.939870  0.358958  1
  Fe  Fe123  1  0.921350  0.606537  0.358958  1
  Fe  Fe124  1  0.143432  0.219729  0.410347  1
  Fe  Fe125  1  0.532624  0.246518  0.384773  1
  Fe  Fe126  1  0.143432  0.886396  0.410347  1
  Fe  Fe127  1  0.406436  0.601209  0.410342  1
  Fe  Fe128  1  0.183978  0.321173  0.359236  1
  Fe  Fe129  1  0.406436  0.267876  0.410342  1
  Fe  Fe130  1  0.795353  0.961220  0.384607  1
  Fe  Fe131  1  0.795353  0.627887  0.384607  1
  Fe  Fe132  1  0.795353  0.294554  0.384607  1
  Fe  Fe133  1  0.183978  0.987840  0.359236  1
  Fe  Fe134  1  0.406436  0.934542  0.410342  1
  Fe  Fe135  1  0.183978  0.654506  0.359236  1
  Fe  Fe136  1  0.714482  0.831069  0.387475  1
  Fe  Fe137  1  0.325349  0.470924  0.413086  1
  Fe  Fe138  1  0.714482  0.497735  0.387475  1
  Fe  Fe139  1  0.103153  0.191022  0.361820  1
  Fe  Fe140  1  0.103153  0.857689  0.361820  1
  Fe  Fe141  1  0.103153  0.524355  0.361820  1
  Fe  Fe142  1  0.325349  0.137591  0.413086  1
  Fe  Fe143  1  0.714482  0.164402  0.387475  1
  Fe  Fe144  1  0.325349  0.804258  0.413086  1
  Fe  Fe145  1  0.503618  0.778583  0.376658  1
  Fe  Fe146  1  0.114520  0.418471  0.402412  1
  Fe  Fe147  1  0.503618  0.445250  0.376658  1
  Fe  Fe148  1  0.892429  0.138348  0.350778  1
  Fe  Fe149  1  0.892429  0.805015  0.350778  1
  Fe  Fe150  1  0.892429  0.471682  0.350778  1
  Fe  Fe151  1  0.114520  0.085138  0.402412  1
  Fe  Fe152  1  0.503618  0.111916  0.376658  1
  Fe  Fe153  1  0.114520  0.751804  0.402412  1
  Fe  Fe154  1  0.224362  0.683144  0.407690  1
  Fe  Fe155  1  0.002250  0.403215  0.355943  1
  Fe  Fe156  1  0.224362  0.349810  0.407690  1
  Fe  Fe157  1  0.613438  0.043254  0.381785  1
  Fe  Fe158  1  0.613438  0.709921  0.381785  1
  Fe  Fe159  1  0.613438  0.376587  0.381785  1
  Fe  Fe160  1  0.002250  0.069881  0.355943  1
  Fe  Fe161  1  0.224362  0.016477  0.407690  1
  Fe  Fe162  1  0.002250  0.736548  0.355943  1
  Fe  Fe163  1  0.442153  0.653263  0.360613  1
  Fe  Fe164  1  0.052288  0.292147  0.386453  1
  Fe  Fe165  1  0.442153  0.319930  0.360613  1
  Fe  Fe166  1  0.663859  0.932651  0.411899  1
  Fe  Fe167  1  0.663859  0.599317  0.411899  1
  Fe  Fe168  1  0.663859  0.265984  0.411899  1
  Fe  Fe169  1  0.052288  0.958813  0.386453  1
  Fe  Fe170  1  0.442153  0.986596  0.360613  1
  Fe  Fe171  1  0.052288  0.625480  0.386453  1
  Fe  Fe172  1  0.435249  0.735727  0.418291  1
  Fe  Fe173  1  0.212737  0.455951  0.367179  1
  Fe  Fe174  1  0.435249  0.402394  0.418291  1
  Fe  Fe175  1  0.824406  0.095607  0.392670  1
  Fe  Fe176  1  0.824406  0.762274  0.392670  1
  Fe  Fe177  1  0.824406  0.428940  0.392670  1
  Fe  Fe178  1  0.212737  0.122618  0.367179  1
  Fe  Fe179  1  0.435249  0.069060  0.418291  1
  Fe  Fe180  1  0.212737  0.789285  0.367179  1
  Fe  Fe181  1  0.430571  0.719347  0.495108  1
  Fe  Fe182  1  0.208486  0.439351  0.443905  1
  Fe  Fe183  1  0.430571  0.386014  0.495108  1
  Fe  Fe184  1  0.819652  0.079328  0.469473  1
  Fe  Fe185  1  0.819652  0.745994  0.469473  1
  Fe  Fe186  1  0.819652  0.412661  0.469473  1
  Fe  Fe187  1  0.208486  0.106018  0.443905  1
  Fe  Fe188  1  0.430571  0.052680  0.495108  1
  Fe  Fe189  1  0.208486  0.772685  0.443905  1
  Fe  Fe190  1  0.174234  0.634559  0.453659  1
  Fe  Fe191  1  0.785293  0.274616  0.479234  1
  Fe  Fe192  1  0.174234  0.301226  0.453659  1
  Fe  Fe193  1  0.563371  0.994679  0.427987  1
  Fe  Fe194  1  0.563371  0.661345  0.427987  1
  Fe  Fe195  1  0.563371  0.328012  0.427987  1
  Fe  Fe196  1  0.785293  0.941282  0.479234  1
  Fe  Fe197  1  0.174234  0.967892  0.453659  1
  Fe  Fe198  1  0.785293  0.607949  0.479234  1
  Fe  Fe199  1  0.497146  0.861635  0.434271  1
  Fe  Fe200  1  0.108045  0.501518  0.459915  1
  Fe  Fe201  1  0.497146  0.528302  0.434271  1
  Fe  Fe202  1  0.719277  0.141571  0.485516  1
  Fe  Fe203  1  0.719277  0.808238  0.485516  1
  Fe  Fe204  1  0.719277  0.474904  0.485516  1
  Fe  Fe205  1  0.108045  0.168185  0.459915  1
  Fe  Fe206  1  0.497146  0.194969  0.434271  1
  Fe  Fe207  1  0.108045  0.834852  0.459915  1
  Fe  Fe208  1  0.365519  0.832954  0.461528  1
  Fe  Fe209  1  0.976584  0.472958  0.487159  1
  Fe  Fe210  1  0.365519  0.499621  0.461528  1
  Fe  Fe211  1  0.754558  0.193028  0.435887  1
  Fe  Fe212  1  0.754558  0.859695  0.435887  1
  Fe  Fe213  1  0.754558  0.526362  0.435887  1
  Fe  Fe214  1  0.976584  0.139625  0.487159  1
  Fe  Fe215  1  0.365519  0.166288  0.461528  1
  Fe  Fe216  1  0.976584  0.806292  0.487159  1
  Fe  Fe217  1  0.239336  0.520924  0.487234  1
  Fe  Fe218  1  0.017146  0.240902  0.435993  1
  Fe  Fe219  1  0.239336  0.187591  0.487234  1
  Fe  Fe220  1  0.628365  0.881007  0.461582  1
  Fe  Fe221  1  0.628365  0.547674  0.461582  1
  Fe  Fe222  1  0.628365  0.214340  0.461582  1
  Fe  Fe223  1  0.017146  0.907568  0.435993  1
  Fe  Fe224  1  0.239336  0.854257  0.487234  1
  Fe  Fe225  1  0.017146  0.574235  0.435993  1
  Fe  Fe226  1  0.547462  0.750874  0.464331  1
  Fe  Fe227  1  0.158455  0.390806  0.489993  1
  Fe  Fe228  1  0.547462  0.417541  0.464331  1
  Fe  Fe229  1  0.936370  0.110825  0.438761  1
  Fe  Fe230  1  0.936370  0.777492  0.438761  1
  Fe  Fe231  1  0.936370  0.444158  0.438761  1
  Fe  Fe232  1  0.158455  0.057472  0.489993  1
  Fe  Fe233  1  0.547462  0.084207  0.464331  1
  Fe  Fe234  1  0.158455  0.724139  0.489993  1
  Fe  Fe235  1  0.336662  0.698384  0.453593  1
  Fe  Fe236  1  0.947629  0.338347  0.479190  1
  Fe  Fe237  1  0.336662  0.365050  0.453593  1
  Fe  Fe238  1  0.725600  0.058419  0.427904  1
  Fe  Fe239  1  0.725600  0.725086  0.427904  1
  Fe  Fe240  1  0.725600  0.391753  0.427904  1
  Fe  Fe241  1  0.947629  0.005014  0.479190  1
  Fe  Fe242  1  0.336662  0.031717  0.453593  1
  Fe  Fe243  1  0.947629  0.671681  0.479190  1
  Fe  Fe244  1  0.057434  0.603052  0.484422  1
  Fe  Fe245  1  0.835370  0.323105  0.433048  1
  Fe  Fe246  1  0.057434  0.269719  0.484422  1
  Fe  Fe247  1  0.446430  0.963097  0.458778  1
  Fe  Fe248  1  0.446430  0.629764  0.458778  1
  Fe  Fe249  1  0.446430  0.296430  0.458778  1
  Fe  Fe250  1  0.835370  0.989772  0.433048  1
  Fe  Fe251  1  0.057434  0.936385  0.484422  1
  Fe  Fe252  1  0.835370  0.656439  0.433048  1
  Fe  Fe253  1  0.274668  0.572425  0.437616  1
  Fe  Fe254  1  0.885708  0.212395  0.463215  1
  Fe  Fe255  1  0.274668  0.239092  0.437616  1
  Fe  Fe256  1  0.496713  0.852413  0.488833  1
  Fe  Fe257  1  0.496713  0.519080  0.488833  1
  Fe  Fe258  1  0.496713  0.185747  0.488833  1
  Fe  Fe259  1  0.885708  0.879062  0.463215  1
  Fe  Fe260  1  0.274668  0.905758  0.437616  1
  Fe  Fe261  1  0.885708  0.545729  0.463215  1
  Fe  Fe262  1  0.268221  0.655500  0.495202  1
  Fe  Fe263  1  0.046175  0.375554  0.443973  1
  Fe  Fe264  1  0.268221  0.322166  0.495202  1
  Fe  Fe265  1  0.657254  0.015567  0.469540  1
  Fe  Fe266  1  0.657254  0.682234  0.469540  1
  Fe  Fe267  1  0.657254  0.348901  0.469540  1
  Fe  Fe268  1  0.046175  0.042221  0.443973  1
  Fe  Fe269  1  0.268221  0.988833  0.495202  1
  Fe  Fe270  1  0.046175  0.708887  0.443973  1
  Fe  Fe271  1  0.263531  0.639181  0.572013  1
  Fe  Fe272  1  0.041609  0.359244  0.520766  1
  Fe  Fe273  1  0.263531  0.305848  0.572013  1
  Fe  Fe274  1  0.652667  0.999300  0.546341  1
  Fe  Fe275  1  0.652667  0.665967  0.546341  1
  Fe  Fe276  1  0.652667  0.332634  0.546341  1
  Fe  Fe277  1  0.041609  0.025911  0.520766  1
  Fe  Fe278  1  0.263531  0.972514  0.572013  1
  Fe  Fe279  1  0.041609  0.692577  0.520766  1
  Fe  Fe280  1  0.007249  0.554532  0.530527  1
  Fe  Fe281  1  0.618416  0.194508  0.556095  1
  Fe  Fe282  1  0.007249  0.221199  0.530527  1
  Fe  Fe283  1  0.396330  0.914513  0.504892  1
  Fe  Fe284  1  0.396330  0.581179  0.504892  1
  Fe  Fe285  1  0.396330  0.247846  0.504892  1
  Fe  Fe286  1  0.618416  0.861175  0.556095  1
  Fe  Fe287  1  0.007249  0.887865  0.530527  1
  Fe  Fe288  1  0.618416  0.527842  0.556095  1
  Fe  Fe289  1  0.330189  0.781446  0.511167  1
  Fe  Fe290  1  0.941194  0.421464  0.536785  1
  Fe  Fe291  1  0.330189  0.448113  0.511167  1
  Fe  Fe292  1  0.552233  0.061435  0.562384  1
  Fe  Fe293  1  0.552233  0.728101  0.562384  1
  Fe  Fe294  1  0.552233  0.394768  0.562384  1
  Fe  Fe295  1  0.941194  0.088131  0.536785  1
  Fe  Fe296  1  0.330189  0.114780  0.511167  1
  Fe  Fe297  1  0.941194  0.754798  0.536785  1
  Fe  Fe298  1  0.198536  0.752852  0.538418  1
  Fe  Fe299  1  0.809756  0.392958  0.564007  1
  Fe  Fe300  1  0.198536  0.419519  0.538418  1
  Fe  Fe301  1  0.587566  0.112936  0.512766  1
  Fe  Fe302  1  0.587566  0.779602  0.512766  1
  Fe  Fe303  1  0.587566  0.446269  0.512766  1
  Fe  Fe304  1  0.809756  0.059624  0.564007  1
  Fe  Fe305  1  0.198536  0.086186  0.538418  1
  Fe  Fe306  1  0.809756  0.726291  0.564007  1
  Fe  Fe307  1  0.072344  0.440831  0.564113  1
  Fe  Fe308  1  0.850317  0.160901  0.512841  1
  Fe  Fe309  1  0.072344  0.107498  0.564113  1
  Fe  Fe310  1  0.461383  0.800905  0.538472  1
  Fe  Fe311  1  0.461383  0.467572  0.538472  1
  Fe  Fe312  1  0.461383  0.134239  0.538472  1
  Fe  Fe313  1  0.850317  0.827568  0.512841  1
  Fe  Fe314  1  0.072344  0.774165  0.564113  1
  Fe  Fe315  1  0.850317  0.494235  0.512841  1
  Fe  Fe316  1  0.380472  0.670763  0.541222  1
  Fe  Fe317  1  0.991531  0.310754  0.566952  1
  Fe  Fe318  1  0.380472  0.337429  0.541222  1
  Fe  Fe319  1  0.769467  0.030808  0.515578  1
  Fe  Fe320  1  0.769467  0.697474  0.515578  1
  Fe  Fe321  1  0.769467  0.364141  0.515578  1
  Fe  Fe322  1  0.991531  0.977421  0.566952  1
  Fe  Fe323  1  0.380472  0.004096  0.541222  1
  Fe  Fe324  1  0.991531  0.644088  0.566952  1
  Fe  Fe325  1  0.169647  0.618292  0.530460  1
  Fe  Fe326  1  0.780727  0.258306  0.556027  1
  Fe  Fe327  1  0.169647  0.284959  0.530460  1
  Fe  Fe328  1  0.558681  0.978360  0.504798  1
  Fe  Fe329  1  0.558681  0.645027  0.504798  1
  Fe  Fe330  1  0.558681  0.311693  0.504798  1
  Fe  Fe331  1  0.780727  0.924972  0.556027  1
  Fe  Fe332  1  0.169647  0.951626  0.530460  1
  Fe  Fe333  1  0.780727  0.591639  0.556027  1
  Fe  Fe334  1  0.890532  0.523035  0.561239  1
  Fe  Fe335  1  0.668447  0.243054  0.510007  1
  Fe  Fe336  1  0.890532  0.189701  0.561239  1
  Fe  Fe337  1  0.279440  0.882986  0.535669  1
  Fe  Fe338  1  0.279440  0.549652  0.535669  1
  Fe  Fe339  1  0.279440  0.216319  0.535669  1
  Fe  Fe340  1  0.668447  0.909720  0.510007  1
  Fe  Fe341  1  0.890532  0.856368  0.561239  1
  Fe  Fe342  1  0.668447  0.576387  0.510007  1
  Fe  Fe343  1  0.107624  0.492289  0.514484  1
  Fe  Fe344  1  0.718856  0.132341  0.540085  1
  Fe  Fe345  1  0.107624  0.158955  0.514484  1
  Fe  Fe346  1  0.329756  0.772224  0.565729  1
  Fe  Fe347  1  0.329756  0.438891  0.565729  1
  Fe  Fe348  1  0.329756  0.105558  0.565729  1
  Fe  Fe349  1  0.718856  0.799008  0.540085  1
  Fe  Fe350  1  0.107624  0.825622  0.514484  1
  Fe  Fe351  1  0.718856  0.465675  0.540085  1
  Fe  Fe352  1  0.101302  0.575440  0.572096  1
  Fe  Fe353  1  0.879273  0.295512  0.520810  1
  Fe  Fe354  1  0.101302  0.242107  0.572096  1
  Fe  Fe355  1  0.490239  0.935476  0.546407  1
  Fe  Fe356  1  0.490239  0.602143  0.546407  1
  Fe  Fe357  1  0.490239  0.268809  0.546407  1
  Fe  Fe358  1  0.879273  0.962179  0.520810  1
  Fe  Fe359  1  0.101302  0.908774  0.572096  1
  Fe  Fe360  1  0.879273  0.628846  0.520810  1
  Fe  Fe361  1  0.096171  0.559119  0.648993  1
  Fe  Fe362  1  0.875097  0.279221  0.597632  1
  Fe  Fe363  1  0.096171  0.225786  0.648993  1
  Fe  Fe364  1  0.485472  0.919062  0.623185  1
  Fe  Fe365  1  0.485472  0.585729  0.623185  1
  Fe  Fe366  1  0.485472  0.252396  0.623185  1
  Fe  Fe367  1  0.875097  0.945888  0.597632  1
  Fe  Fe368  1  0.096171  0.892453  0.648993  1
  Fe  Fe369  1  0.875097  0.612554  0.597632  1
  Fe  Fe370  1  0.840282  0.474658  0.607444  1
  Fe  Fe371  1  0.451435  0.113799  0.632932  1
  Fe  Fe372  1  0.840282  0.141324  0.607444  1
  Fe  Fe373  1  0.229346  0.834387  0.581740  1
  Fe  Fe374  1  0.229346  0.501053  0.581740  1
  Fe  Fe375  1  0.229346  0.167720  0.581740  1
  Fe  Fe376  1  0.451435  0.780466  0.632932  1
  Fe  Fe377  1  0.840282  0.807991  0.607444  1
  Fe  Fe378  1  0.451435  0.447133  0.632932  1
  Fe  Fe379  1  0.163043  0.701209  0.588101  1
  Fe  Fe380  1  0.774614  0.341713  0.613547  1
  Fe  Fe381  1  0.163043  0.367875  0.588101  1
  Fe  Fe382  1  0.384749  0.980596  0.639387  1
  Fe  Fe383  1  0.384749  0.647263  0.639387  1
  Fe  Fe384  1  0.384749  0.313930  0.639387  1
  Fe  Fe385  1  0.774614  0.008380  0.613547  1
  Fe  Fe386  1  0.163043  0.034542  0.588101  1
  Fe  Fe387  1  0.774614  0.675046  0.613547  1
  Fe  Fe388  1  0.031549  0.672639  0.615393  1
  Fe  Fe389  1  0.642924  0.312686  0.640764  1
  Fe  Fe390  1  0.031549  0.339306  0.615393  1
  Fe  Fe391  1  0.420466  0.032651  0.589658  1
  Fe  Fe392  1  0.420466  0.699317  0.589658  1
  Fe  Fe393  1  0.420466  0.365984  0.589658  1
  Fe  Fe394  1  0.642924  0.979353  0.640764  1
  Fe  Fe395  1  0.031549  0.005973  0.615393  1
  Fe  Fe396  1  0.642924  0.646020  0.640764  1
  Fe  Fe397  1  0.905552  0.360656  0.641042  1
  Fe  Fe398  1  0.683469  0.080797  0.589653  1
  Fe  Fe399  1  0.905552  0.027323  0.641042  1
  Fe  Fe400  1  0.294278  0.720675  0.615227  1
  Fe  Fe401  1  0.294278  0.387342  0.615227  1
  Fe  Fe402  1  0.294278  0.054008  0.615227  1
  Fe  Fe403  1  0.683469  0.747464  0.589653  1
  Fe  Fe404  1  0.905552  0.693989  0.641042  1
  Fe  Fe405  1  0.683469  0.414131  0.589653  1
  Fe  Fe406  1  0.213464  0.590606  0.618215  1
  Fe  Fe407  1  0.824652  0.230645  0.644057  1
  Fe  Fe408  1  0.213464  0.257272  0.618215  1
  Fe  Fe409  1  0.602540  0.950716  0.592310  1
  Fe  Fe410  1  0.602540  0.617382  0.592310  1
  Fe  Fe411  1  0.602540  0.284049  0.592310  1
  Fe  Fe412  1  0.824652  0.897312  0.644057  1
  Fe  Fe413  1  0.213464  0.923939  0.618215  1
  Fe  Fe414  1  0.824652  0.563978  0.644057  1
  Fe  Fe415  1  0.002496  0.538253  0.607330  1
  Fe  Fe416  1  0.614164  0.177908  0.632821  1
  Fe  Fe417  1  0.002496  0.204919  0.607330  1
  Fe  Fe418  1  0.391653  0.898133  0.581709  1
  Fe  Fe419  1  0.391653  0.564799  0.581709  1
  Fe  Fe420  1  0.391653  0.231466  0.581709  1
  Fe  Fe421  1  0.614164  0.844575  0.632821  1
  Fe  Fe422  1  0.002496  0.871586  0.607330  1
  Fe  Fe423  1  0.614164  0.511242  0.632821  1
  Fe  Fe424  1  0.723748  0.442838  0.638180  1
  Fe  Fe425  1  0.501553  0.162935  0.586914  1
  Fe  Fe426  1  0.723748  0.109504  0.638180  1
  Fe  Fe427  1  0.112420  0.802791  0.612525  1
  Fe  Fe428  1  0.112420  0.469458  0.612525  1
  Fe  Fe429  1  0.112420  0.136124  0.612525  1
  Fe  Fe430  1  0.501553  0.829602  0.586914  1
  Fe  Fe431  1  0.723748  0.776171  0.638180  1
  Fe  Fe432  1  0.501553  0.496269  0.586914  1
  Fe  Fe433  1  0.940625  0.412202  0.591318  1
  Fe  Fe434  1  0.551739  0.052029  0.616844  1
  Fe  Fe435  1  0.940625  0.078868  0.591318  1
  Fe  Fe436  1  0.162794  0.691919  0.642491  1
  Fe  Fe437  1  0.162794  0.358586  0.642491  1
  Fe  Fe438  1  0.162794  0.025253  0.642491  1
  Fe  Fe439  1  0.551739  0.718695  0.616844  1
  Fe  Fe440  1  0.940625  0.745535  0.591318  1
  Fe  Fe441  1  0.551739  0.385362  0.616844  1
  Fe  Fe442  1  0.934472  0.495511  0.649222  1
  Fe  Fe443  1  0.712381  0.215389  0.597588  1
  Fe  Fe444  1  0.934472  0.162178  0.649222  1
  Fe  Fe445  1  0.323284  0.855277  0.623342  1
  Fe  Fe446  1  0.323284  0.521943  0.623342  1
  Fe  Fe447  1  0.323284  0.188610  0.623342  1
  Fe  Fe448  1  0.712381  0.882055  0.597588  1
  Fe  Fe449  1  0.934472  0.828845  0.649222  1
  Fe  Fe450  1  0.712381  0.548722  0.597588  1
  Fe  Fe451  1  0.925501  0.478112  0.726318  1
  Fe  Fe452  1  0.706896  0.198659  0.674150  1
  Fe  Fe453  1  0.925501  0.144779  0.726318  1
  Fe  Fe454  1  0.318551  0.838116  0.700308  1
  Fe  Fe455  1  0.318551  0.504783  0.700308  1
  Fe  Fe456  1  0.318551  0.171450  0.700308  1
  Fe  Fe457  1  0.706896  0.865325  0.674150  1
  Fe  Fe458  1  0.925501  0.811446  0.726318  1
  Fe  Fe459  1  0.706896  0.531992  0.674150  1
  Fe  Fe460  1  0.673086  0.393468  0.684140  1
  Fe  Fe461  1  0.282921  0.034842  0.710264  1
  Fe  Fe462  1  0.673086  0.060134  0.684140  1
  Fe  Fe463  1  0.062615  0.754914  0.658570  1
  Fe  Fe464  1  0.062615  0.421581  0.658570  1
  Fe  Fe465  1  0.062615  0.088247  0.658570  1
  Fe  Fe466  1  0.282921  0.701509  0.710264  1
  Fe  Fe467  1  0.673086  0.726801  0.684140  1
  Fe  Fe468  1  0.282921  0.368175  0.710264  1
  Fe  Fe469  1  0.995772  0.620641  0.665151  1
  Fe  Fe470  1  0.607279  0.260627  0.690373  1
  Fe  Fe471  1  0.995772  0.287307  0.665151  1
  Fe  Fe472  1  0.218028  0.901935  0.716173  1
  Fe  Fe473  1  0.218028  0.568602  0.716173  1
  Fe  Fe474  1  0.218028  0.235268  0.716173  1
  Fe  Fe475  1  0.607279  0.927293  0.690373  1
  Fe  Fe476  1  0.995772  0.953974  0.665151  1
  Fe  Fe477  1  0.607279  0.593960  0.690373  1
  Fe  Fe478  1  0.863857  0.590907  0.692649  1
  Fe  Fe479  1  0.476195  0.231373  0.717557  1
  Fe  Fe480  1  0.863858  0.257574  0.692649  1
  Fe  Fe481  1  0.253441  0.952169  0.666625  1
  Fe  Fe482  1  0.253441  0.618836  0.666625  1
  Fe  Fe483  1  0.253441  0.285503  0.666625  1
  Fe  Fe484  1  0.476195  0.898040  0.717557  1
  Fe  Fe485  1  0.863857  0.924240  0.692649  1
  Fe  Fe486  1  0.476195  0.564707  0.717557  1
  Fe  Fe487  1  0.738785  0.279772  0.717545  1
  Fe  Fe488  1  0.516448  0.000068  0.666304  1
  Fe  Fe489  1  0.738785  0.946438  0.717545  1
  Fe  Fe490  1  0.128248  0.640777  0.692243  1
  Fe  Fe491  1  0.128248  0.307444  0.692243  1
  Fe  Fe492  1  0.128248  0.974110  0.692243  1
  Fe  Fe493  1  0.516448  0.666735  0.666304  1
  Fe  Fe494  1  0.738785  0.613105  0.717545  1
  Fe  Fe495  1  0.516448  0.333401  0.666304  1
  Fe  Fe496  1  0.047865  0.512274  0.696773  1
  Fe  Fe497  1  0.657581  0.150810  0.722243  1
  Fe  Fe498  1  0.047865  0.178941  0.696773  1
  Fe  Fe499  1  0.435630  0.870034  0.668855  1
  Fe  Fe500  1  0.435630  0.536701  0.668855  1
  Fe  Fe501  1  0.435630  0.203367  0.668855  1
  Fe  Fe502  1  0.657581  0.817477  0.722243  1
  Fe  Fe503  1  0.047865  0.845607  0.696773  1
  Fe  Fe504  1  0.657581  0.484144  0.722243  1
  Fe  Fe505  1  0.837201  0.457743  0.684181  1
  Fe  Fe506  1  0.447832  0.093950  0.710149  1
  Fe  Fe507  1  0.837201  0.124410  0.684181  1
  Fe  Fe508  1  0.224400  0.818146  0.658515  1
  Fe  Fe509  1  0.224400  0.484813  0.658515  1
  Fe  Fe510  1  0.224400  0.151479  0.658515  1
  Fe  Fe511  1  0.447831  0.760616  0.710149  1
  Fe  Fe512  1  0.837201  0.791077  0.684181  1
  Fe  Fe513  1  0.447831  0.427283  0.710149  1
  Fe  Fe514  1  0.556598  0.361803  0.715682  1
  Fe  Fe515  1  0.335021  0.082658  0.663636  1
  Fe  Fe516  1  0.556598  0.028470  0.715682  1
  Fe  Fe517  1  0.946232  0.723329  0.689523  1
  Fe  Fe518  1  0.946232  0.389995  0.689523  1
  Fe  Fe519  1  0.946232  0.056662  0.689523  1
  Fe  Fe520  1  0.335021  0.749324  0.663636  1
  Fe  Fe521  1  0.556598  0.695137  0.715682  1
  Fe  Fe522  1  0.335021  0.415991  0.663636  1
  Fe  Fe523  1  0.774167  0.331890  0.668127  1
  Fe  Fe524  1  0.383270  0.969838  0.692690  1
  Fe  Fe525  1  0.774167  0.998556  0.668127  1
  Fe  Fe526  1  0.982298  0.619991  0.719620  1
  Fe  Fe527  1  0.982298  0.286657  0.719620  1
  Fe  Fe528  1  0.982298  0.953324  0.719620  1
  Fe  Fe529  1  0.383270  0.636504  0.692690  1
  Fe  Fe530  1  0.774167  0.665223  0.668127  1
  Fe  Fe531  1  0.383270  0.303171  0.692690  1
  Fe  Fe532  1  0.767458  0.414746  0.725881  1
  Fe  Fe533  1  0.545820  0.134936  0.674264  1
  Fe  Fe534  1  0.767458  0.081413  0.725881  1
  Fe  Fe535  1  0.156767  0.774823  0.699853  1
  Fe  Fe536  1  0.156767  0.441490  0.699853  1
  Fe  Fe537  1  0.156767  0.108156  0.699853  1
  Fe  Fe538  1  0.545820  0.801602  0.674264  1
  Fe  Fe539  1  0.767458  0.748080  0.725881  1
  Fe  Fe540  1  0.545820  0.468269  0.674264  1
  C  C541  1  0.777677  0.933361  0.305354  1
  C  C542  1  0.388725  0.573332  0.330764  1
  C  C543  1  0.777677  0.600028  0.305354  1
  C  C544  1  0.166651  0.293910  0.279617  1
  C  C545  1  0.166651  0.960577  0.279617  1
  C  C546  1  0.166652  0.627243  0.279617  1
  C  C547  1  0.388725  0.239998  0.330764  1
  C  C548  1  0.777677  0.266695  0.305354  1
  C  C549  1  0.388725  0.906665  0.330764  1
  C  C550  1  0.669728  0.759538  0.318602  1
  C  C551  1  0.279887  0.399712  0.344572  1
  C  C552  1  0.669728  0.426205  0.318602  1
  C  C553  1  0.060222  0.121042  0.293295  1
  C  C554  1  0.060222  0.787709  0.293295  1
  C  C555  1  0.060222  0.454376  0.293295  1
  C  C556  1  0.279887  0.066378  0.344572  1
  C  C557  1  0.669728  0.092871  0.318602  1
  C  C558  1  0.279887  0.733045  0.344572  1
  C  C559  1  0.603047  0.914884  0.322751  1
  C  C560  1  0.383002  0.641591  0.272336  1
  C  C561  1  0.603047  0.581551  0.322751  1
  C  C562  1  0.991993  0.275693  0.297019  1
  C  C563  1  0.991993  0.942359  0.297019  1
  C  C564  1  0.991993  0.609026  0.297019  1
  C  C565  1  0.383002  0.308258  0.272336  1
  C  C566  1  0.603047  0.248217  0.322751  1
  C  C567  1  0.383002  0.974925  0.272336  1
  C  C568  1  0.494824  0.741848  0.335904  1
  C  C569  1  0.272517  0.462987  0.285443  1
  C  C570  1  0.494824  0.408514  0.335904  1
  C  C571  1  0.882730  0.101245  0.309773  1
  C  C572  1  0.882730  0.767911  0.309773  1
  C  C573  1  0.882730  0.434578  0.309773  1
  C  C574  1  0.272517  0.129654  0.285443  1
  C  C575  1  0.494824  0.075181  0.335904  1
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