# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.84210927
_cell_length_b   18.92449100
_cell_length_c   46.57575572
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.40798880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe630 C252'
_cell_volume   16262.0197268
_cell_formula_units_Z   126
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  0.138032  0.745234  0.317213  1
  Fe  Fe2  1  0.804698  0.745234  0.317213  1
  Fe  Fe3  1  0.190474  0.319634  0.296720  1
  Fe  Fe4  1  0.471365  0.745234  0.317213  1
  Fe  Fe5  1  0.857141  0.319634  0.296720  1
  Fe  Fe6  1  0.087434  0.167588  0.340261  1
  Fe  Fe7  1  0.523807  0.319634  0.296720  1
  Fe  Fe8  1  0.754101  0.167588  0.340261  1
  Fe  Fe9  1  0.420767  0.167588  0.340261  1
  Fe  Fe10  1  0.998865  0.540274  0.285308  1
  Fe  Fe11  1  0.665532  0.540274  0.285308  1
  Fe  Fe12  1  0.892278  0.395954  0.330644  1
  Fe  Fe13  1  0.332199  0.540274  0.285308  1
  Fe  Fe14  1  0.558945  0.395954  0.330644  1
  Fe  Fe15  1  0.946399  0.966073  0.306564  1
  Fe  Fe16  1  0.225612  0.395954  0.330644  1
  Fe  Fe17  1  0.613066  0.966073  0.306564  1
  Fe  Fe18  1  0.279732  0.966073  0.306564  1
  Fe  Fe19  1  0.005735  0.647059  0.313692  1
  Fe  Fe20  1  0.672402  0.647059  0.313692  1
  Fe  Fe21  1  0.057313  0.222564  0.292643  1
  Fe  Fe22  1  0.339068  0.647059  0.313692  1
  Fe  Fe23  1  0.723980  0.222564  0.292643  1
  Fe  Fe24  1  0.956673  0.068768  0.335585  1
  Fe  Fe25  1  0.390647  0.222564  0.292643  1
  Fe  Fe26  1  0.623340  0.068768  0.335585  1
  Fe  Fe27  1  0.290006  0.068768  0.335585  1
  Fe  Fe28  1  0.012659  0.749003  0.283699  1
  Fe  Fe29  1  0.679325  0.749003  0.283699  1
  Fe  Fe30  1  0.906363  0.602580  0.325952  1
  Fe  Fe31  1  0.345992  0.749003  0.283699  1
  Fe  Fe32  1  0.573030  0.602580  0.325952  1
  Fe  Fe33  1  0.959228  0.177717  0.305332  1
  Fe  Fe34  1  0.239697  0.602580  0.325952  1
  Fe  Fe35  1  0.625895  0.177717  0.305332  1
  Fe  Fe36  1  0.292561  0.177717  0.305332  1
  Fe  Fe37  1  0.125815  0.536500  0.324722  1
  Fe  Fe38  1  0.792481  0.536500  0.324722  1
  Fe  Fe39  1  0.191040  0.109204  0.302888  1
  Fe  Fe40  1  0.459148  0.536500  0.324722  1
  Fe  Fe41  1  0.857706  0.109204  0.302888  1
  Fe  Fe42  1  0.073158  0.961533  0.345608  1
  Fe  Fe43  1  0.524373  0.109204  0.302888  1
  Fe  Fe44  1  0.739824  0.961533  0.345608  1
  Fe  Fe45  1  0.406491  0.961533  0.345608  1
  Fe  Fe46  1  0.282100  0.370136  0.283538  1
  Fe  Fe47  1  0.948766  0.370136  0.283538  1
  Fe  Fe48  1  0.174176  0.221186  0.326738  1
  Fe  Fe49  1  0.615433  0.370136  0.283538  1
  Fe  Fe50  1  0.840842  0.221186  0.326738  1
  Fe  Fe51  1  0.227372  0.796309  0.304372  1
  Fe  Fe52  1  0.507509  0.221186  0.326738  1
  Fe  Fe53  1  0.894039  0.796309  0.304372  1
  Fe  Fe54  1  0.560706  0.796309  0.304372  1
  Fe  Fe55  1  0.008580  0.823821  0.323890  1
  Fe  Fe56  1  0.675247  0.823821  0.323890  1
  Fe  Fe57  1  0.061499  0.398380  0.302718  1
  Fe  Fe58  1  0.341914  0.823821  0.323890  1
  Fe  Fe59  1  0.728166  0.398380  0.302718  1
  Fe  Fe60  1  0.956140  0.248775  0.345034  1
  Fe  Fe61  1  0.394833  0.398380  0.302718  1
  Fe  Fe62  1  0.622807  0.248775  0.345034  1
  Fe  Fe63  1  0.289473  0.248775  0.345034  1
  Fe  Fe64  1  0.858399  0.918170  0.323863  1
  Fe  Fe65  1  0.525066  0.918170  0.323863  1
  Fe  Fe66  1  0.911181  0.493620  0.303071  1
  Fe  Fe67  1  0.191732  0.918170  0.323863  1
  Fe  Fe68  1  0.577848  0.493620  0.303071  1
  Fe  Fe69  1  0.807502  0.341410  0.344535  1
  Fe  Fe70  1  0.244514  0.493620  0.303071  1
  Fe  Fe71  1  0.474169  0.341410  0.344535  1
  Fe  Fe72  1  0.140835  0.341410  0.344535  1
  Fe  Fe73  1  0.128386  0.642557  0.294271  1
  Fe  Fe74  1  0.795053  0.642557  0.294271  1
  Fe  Fe75  1  0.023884  0.493483  0.336007  1
  Fe  Fe76  1  0.461719  0.642557  0.294271  1
  Fe  Fe77  1  0.690551  0.493483  0.336007  1
  Fe  Fe78  1  0.075191  0.070240  0.314350  1
  Fe  Fe79  1  0.357218  0.493483  0.336007  1
  Fe  Fe80  1  0.741858  0.070240  0.314350  1
  Fe  Fe81  1  0.408525  0.070240  0.314350  1
  Fe  Fe82  1  0.136034  0.466131  0.284833  1
  Fe  Fe83  1  0.802701  0.466131  0.284833  1
  Fe  Fe84  1  0.023027  0.313915  0.326727  1
  Fe  Fe85  1  0.469368  0.466131  0.284833  1
  Fe  Fe86  1  0.689694  0.313915  0.326727  1
  Fe  Fe87  1  0.080710  0.893473  0.305738  1
  Fe  Fe88  1  0.356361  0.313915  0.326727  1
  Fe  Fe89  1  0.747376  0.893473  0.305738  1
  Fe  Fe90  1  0.414043  0.893473  0.305738  1
  Fe  Fe91  1  0.982056  0.015914  0.382315  1
  Fe  Fe92  1  0.648722  0.015914  0.382315  1
  Fe  Fe93  1  0.034344  0.592003  0.360954  1
  Fe  Fe94  1  0.315389  0.015914  0.382315  1
  Fe  Fe95  1  0.701010  0.592003  0.360954  1
  Fe  Fe96  1  0.929513  0.440273  0.402879  1
  Fe  Fe97  1  0.367677  0.592003  0.360954  1
  Fe  Fe98  1  0.596180  0.440273  0.402879  1
  Fe  Fe99  1  0.262847  0.440273  0.402879  1
  Fe  Fe100  1  0.839979  0.820050  0.351396  1
  Fe  Fe101  1  0.506645  0.820050  0.351396  1
  Fe  Fe102  1  0.735689  0.667755  0.392916  1
  Fe  Fe103  1  0.173312  0.820050  0.351396  1
  Fe  Fe104  1  0.402356  0.667755  0.392916  1
  Fe  Fe105  1  0.788264  0.243417  0.372236  1
  Fe  Fe106  1  0.069023  0.667755  0.392916  1
  Fe  Fe107  1  0.454931  0.243417  0.372236  1
  Fe  Fe108  1  0.121598  0.243417  0.372236  1
  Fe  Fe109  1  0.850907  0.917422  0.376541  1
  Fe  Fe110  1  0.517574  0.917422  0.376541  1
  Fe  Fe111  1  0.903081  0.493493  0.355555  1
  Fe  Fe112  1  0.184240  0.917422  0.376541  1
  Fe  Fe113  1  0.569748  0.493493  0.355555  1
  Fe  Fe114  1  0.798531  0.341364  0.397490  1
  Fe  Fe115  1  0.236415  0.493493  0.355555  1
  Fe  Fe116  1  0.465197  0.341364  0.397490  1
  Fe  Fe117  1  0.131864  0.341364  0.397490  1
  Fe  Fe118  1  0.854027  0.025711  0.346898  1
  Fe  Fe119  1  0.520694  0.025711  0.346898  1
  Fe  Fe120  1  0.748801  0.874320  0.388340  1
  Fe  Fe121  1  0.187360  0.025711  0.346898  1
  Fe  Fe122  1  0.415468  0.874320  0.388340  1
  Fe  Fe123  1  0.801130  0.450049  0.367477  1
  Fe  Fe124  1  0.082134  0.874320  0.388340  1
  Fe  Fe125  1  0.467796  0.450049  0.367477  1
  Fe  Fe126  1  0.134463  0.450049  0.367477  1
  Fe  Fe127  1  0.968694  0.809543  0.386365  1
  Fe  Fe128  1  0.635360  0.809543  0.386365  1
  Fe  Fe129  1  0.021155  0.385434  0.365645  1
  Fe  Fe130  1  0.302027  0.809543  0.386365  1
  Fe  Fe131  1  0.687821  0.385434  0.365645  1
  Fe  Fe132  1  0.916647  0.233416  0.407645  1
  Fe  Fe133  1  0.354488  0.385434  0.365645  1
  Fe  Fe134  1  0.583313  0.233416  0.407645  1
  Fe  Fe135  1  0.249980  0.233416  0.407645  1
  Fe  Fe136  1  0.121141  0.644994  0.346960  1
  Fe  Fe137  1  0.787808  0.644994  0.346960  1
  Fe  Fe138  1  0.016160  0.493494  0.388517  1
  Fe  Fe139  1  0.454474  0.644994  0.346960  1
  Fe  Fe140  1  0.682827  0.493494  0.388517  1
  Fe  Fe141  1  0.069089  0.069120  0.367813  1
  Fe  Fe142  1  0.349493  0.493494  0.388517  1
  Fe  Fe143  1  0.735756  0.069120  0.367813  1
  Fe  Fe144  1  0.402423  0.069120  0.367813  1
  Fe  Fe145  1  0.851652  0.096808  0.386399  1
  Fe  Fe146  1  0.518319  0.096808  0.386399  1
  Fe  Fe147  1  0.904006  0.672659  0.365446  1
  Fe  Fe148  1  0.184986  0.096808  0.386399  1
  Fe  Fe149  1  0.570672  0.672659  0.365446  1
  Fe  Fe150  1  0.799205  0.520942  0.407079  1
  Fe  Fe151  1  0.237339  0.672659  0.365446  1
  Fe  Fe152  1  0.465872  0.520942  0.407079  1
  Fe  Fe153  1  0.132538  0.520942  0.407079  1
  Fe  Fe154  1  0.701420  0.190485  0.386751  1
  Fe  Fe155  1  0.368087  0.190485  0.386751  1
  Fe  Fe156  1  0.754941  0.765849  0.365201  1
  Fe  Fe157  1  0.034753  0.190485  0.386751  1
  Fe  Fe158  1  0.421608  0.765849  0.365201  1
  Fe  Fe159  1  0.649136  0.614496  0.407268  1
  Fe  Fe160  1  0.088275  0.765849  0.365201  1
  Fe  Fe161  1  0.315803  0.614496  0.407268  1
  Fe  Fe162  1  0.982470  0.614496  0.407268  1
  Fe  Fe163  1  0.971321  0.918048  0.356923  1
  Fe  Fe164  1  0.637987  0.918048  0.356923  1
  Fe  Fe165  1  0.866746  0.766543  0.398349  1
  Fe  Fe166  1  0.304654  0.918048  0.356923  1
  Fe  Fe167  1  0.533413  0.766543  0.398349  1
  Fe  Fe168  1  0.919228  0.342589  0.377665  1
  Fe  Fe169  1  0.200079  0.766543  0.398349  1
  Fe  Fe170  1  0.585894  0.342589  0.377665  1
  Fe  Fe171  1  0.252561  0.342589  0.377665  1
  Fe  Fe172  1  0.970415  0.738685  0.347030  1
  Fe  Fe173  1  0.637081  0.738685  0.347030  1
  Fe  Fe174  1  0.865845  0.587035  0.388783  1
  Fe  Fe175  1  0.303748  0.738685  0.347030  1
  Fe  Fe176  1  0.532512  0.587035  0.388783  1
  Fe  Fe177  1  0.918256  0.163145  0.368199  1
  Fe  Fe178  1  0.199178  0.587035  0.388783  1
  Fe  Fe179  1  0.584923  0.163145  0.368199  1
  Fe  Fe180  1  0.251590  0.163145  0.368199  1
  Fe  Fe181  1  0.824613  0.288456  0.444579  1
  Fe  Fe182  1  0.491280  0.288456  0.444579  1
  Fe  Fe183  1  0.877223  0.864144  0.423779  1
  Fe  Fe184  1  0.157946  0.288456  0.444579  1
  Fe  Fe185  1  0.543889  0.864144  0.423779  1
  Fe  Fe186  1  0.772255  0.712479  0.465328  1
  Fe  Fe187  1  0.210556  0.864144  0.423779  1
  Fe  Fe188  1  0.438921  0.712479  0.465328  1
  Fe  Fe189  1  0.105588  0.712479  0.465328  1
  Fe  Fe190  1  0.683179  0.091803  0.413909  1
  Fe  Fe191  1  0.349846  0.091803  0.413909  1
  Fe  Fe192  1  0.578339  0.939798  0.455442  1
  Fe  Fe193  1  0.016512  0.091803  0.413909  1
  Fe  Fe194  1  0.245006  0.939798  0.455442  1
  Fe  Fe195  1  0.630735  0.515975  0.434582  1
  Fe  Fe196  1  0.911672  0.939798  0.455442  1
  Fe  Fe197  1  0.297402  0.515975  0.434582  1
  Fe  Fe198  1  0.964069  0.515975  0.434582  1
  Fe  Fe199  1  0.693645  0.189585  0.439201  1
  Fe  Fe200  1  0.360311  0.189585  0.439201  1
  Fe  Fe201  1  0.746237  0.765393  0.418139  1
  Fe  Fe202  1  0.026978  0.189585  0.439201  1
  Fe  Fe203  1  0.412904  0.765393  0.418139  1
  Fe  Fe204  1  0.641267  0.613681  0.459873  1
  Fe  Fe205  1  0.079570  0.765393  0.418139  1
  Fe  Fe206  1  0.307934  0.613681  0.459873  1
  Fe  Fe207  1  0.974600  0.613681  0.459873  1
  Fe  Fe208  1  0.696404  0.298467  0.409318  1
  Fe  Fe209  1  0.363071  0.298467  0.409318  1
  Fe  Fe210  1  0.591521  0.146761  0.450969  1
  Fe  Fe211  1  0.029738  0.298467  0.409318  1
  Fe  Fe212  1  0.258188  0.146761  0.450969  1
  Fe  Fe213  1  0.643940  0.722385  0.429997  1
  Fe  Fe214  1  0.924854  0.146761  0.450969  1
  Fe  Fe215  1  0.310607  0.722385  0.429997  1
  Fe  Fe216  1  0.977273  0.722385  0.429997  1
  Fe  Fe217  1  0.811526  0.081578  0.449229  1
  Fe  Fe218  1  0.478193  0.081578  0.449229  1
  Fe  Fe219  1  0.864030  0.657670  0.428192  1
  Fe  Fe220  1  0.144859  0.081578  0.449229  1
  Fe  Fe221  1  0.530697  0.657670  0.428192  1
  Fe  Fe222  1  0.759016  0.505908  0.469891  1
  Fe  Fe223  1  0.197363  0.657670  0.428192  1
  Fe  Fe224  1  0.425682  0.505908  0.469891  1
  Fe  Fe225  1  0.092349  0.505908  0.469891  1
  Fe  Fe226  1  0.964081  0.917450  0.409420  1
  Fe  Fe227  1  0.630747  0.917450  0.409420  1
  Fe  Fe228  1  0.858924  0.765753  0.450909  1
  Fe  Fe229  1  0.297414  0.917450  0.409420  1
  Fe  Fe230  1  0.525591  0.765753  0.450909  1
  Fe  Fe231  1  0.911183  0.341688  0.430096  1
  Fe  Fe232  1  0.192257  0.765753  0.450909  1
  Fe  Fe233  1  0.577850  0.341688  0.430096  1
  Fe  Fe234  1  0.244517  0.341688  0.430096  1
  Fe  Fe235  1  0.694303  0.369179  0.448692  1
  Fe  Fe236  1  0.360970  0.369179  0.448692  1
  Fe  Fe237  1  0.746764  0.944954  0.427986  1
  Fe  Fe238  1  0.027636  0.369179  0.448692  1
  Fe  Fe239  1  0.413431  0.944954  0.427986  1
  Fe  Fe240  1  0.641795  0.793267  0.469495  1
  Fe  Fe241  1  0.080098  0.944954  0.427986  1
  Fe  Fe242  1  0.308462  0.793267  0.469495  1
  Fe  Fe243  1  0.975128  0.793267  0.469495  1
  Fe  Fe244  1  0.543973  0.462720  0.448964  1
  Fe  Fe245  1  0.210639  0.462720  0.448964  1
  Fe  Fe246  1  0.596402  0.038617  0.428374  1
  Fe  Fe247  1  0.877306  0.462720  0.448964  1
  Fe  Fe248  1  0.263069  0.038617  0.428374  1
  Fe  Fe249  1  0.491508  0.886552  0.469890  1
  Fe  Fe250  1  0.929736  0.038617  0.428374  1
  Fe  Fe251  1  0.158175  0.886552  0.469890  1
  Fe  Fe252  1  0.824842  0.886552  0.469890  1
  Fe  Fe253  1  0.814151  0.190608  0.419391  1
  Fe  Fe254  1  0.480817  0.190608  0.419391  1
  Fe  Fe255  1  0.709279  0.038689  0.460990  1
  Fe  Fe256  1  0.147484  0.190608  0.419391  1
  Fe  Fe257  1  0.375946  0.038689  0.460990  1
  Fe  Fe258  1  0.761714  0.614806  0.440034  1
  Fe  Fe259  1  0.042613  0.038689  0.460990  1
  Fe  Fe260  1  0.428380  0.614806  0.440034  1
  Fe  Fe261  1  0.095047  0.614806  0.440034  1
  Fe  Fe262  1  0.813645  0.010993  0.409822  1
  Fe  Fe263  1  0.480311  0.010993  0.409822  1
  Fe  Fe264  1  0.708614  0.859116  0.451279  1
  Fe  Fe265  1  0.146978  0.010993  0.409822  1
  Fe  Fe266  1  0.375281  0.859116  0.451279  1
  Fe  Fe267  1  0.761037  0.435220  0.430433  1
  Fe  Fe268  1  0.041947  0.859116  0.451279  1
  Fe  Fe269  1  0.427704  0.435220  0.430433  1
  Fe  Fe270  1  0.094371  0.435220  0.430433  1
  Fe  Fe271  1  0.667313  0.560743  0.507001  1
  Fe  Fe272  1  0.333980  0.560743  0.507001  1
  Fe  Fe273  1  0.719765  0.136484  0.486256  1
  Fe  Fe274  1  0.000647  0.560743  0.507001  1
  Fe  Fe275  1  0.386432  0.136484  0.486256  1
  Fe  Fe276  1  0.614910  0.984558  0.527858  1
  Fe  Fe277  1  0.053099  0.136484  0.486256  1
  Fe  Fe278  1  0.281577  0.984558  0.527858  1
  Fe  Fe279  1  0.948243  0.984558  0.527858  1
  Fe  Fe280  1  0.525772  0.364236  0.476263  1
  Fe  Fe281  1  0.192438  0.364236  0.476263  1
  Fe  Fe282  1  0.420916  0.212309  0.517866  1
  Fe  Fe283  1  0.859105  0.364236  0.476263  1
  Fe  Fe284  1  0.087583  0.212309  0.517866  1
  Fe  Fe285  1  0.473368  0.788051  0.497120  1
  Fe  Fe286  1  0.754250  0.212309  0.517866  1
  Fe  Fe287  1  0.140035  0.788051  0.497120  1
  Fe  Fe288  1  0.806702  0.788051  0.497120  1
  Fe  Fe289  1  0.536315  0.461972  0.501518  1
  Fe  Fe290  1  0.202981  0.461972  0.501518  1
  Fe  Fe291  1  0.588814  0.037622  0.480809  1
  Fe  Fe292  1  0.869648  0.461972  0.501518  1
  Fe  Fe293  1  0.255480  0.037622  0.480809  1
  Fe  Fe294  1  0.483920  0.885773  0.522416  1
  Fe  Fe295  1  0.922147  0.037622  0.480809  1
  Fe  Fe296  1  0.150586  0.885773  0.522416  1
  Fe  Fe297  1  0.817253  0.885773  0.522416  1
  Fe  Fe298  1  0.539048  0.570805  0.471692  1
  Fe  Fe299  1  0.205715  0.570805  0.471692  1
  Fe  Fe300  1  0.434058  0.419104  0.513306  1
  Fe  Fe301  1  0.872382  0.570805  0.471692  1
  Fe  Fe302  1  0.100725  0.419104  0.513306  1
  Fe  Fe303  1  0.486677  0.994718  0.492596  1
  Fe  Fe304  1  0.767392  0.419104  0.513306  1
  Fe  Fe305  1  0.153344  0.994718  0.492596  1
  Fe  Fe306  1  0.820011  0.994718  0.492596  1
  Fe  Fe307  1  0.654004  0.354075  0.511525  1
  Fe  Fe308  1  0.320671  0.354075  0.511525  1
  Fe  Fe309  1  0.706623  0.929690  0.490816  1
  Fe  Fe310  1  0.987338  0.354075  0.511525  1
  Fe  Fe311  1  0.373290  0.929690  0.490816  1
  Fe  Fe312  1  0.601633  0.777989  0.532429  1
  Fe  Fe313  1  0.039956  0.929690  0.490816  1
  Fe  Fe314  1  0.268300  0.777989  0.532429  1
  Fe  Fe315  1  0.934966  0.777989  0.532429  1
  Fe  Fe316  1  0.806550  0.189681  0.471793  1
  Fe  Fe317  1  0.473217  0.189681  0.471793  1
  Fe  Fe318  1  0.701669  0.037769  0.513430  1
  Fe  Fe319  1  0.139884  0.189681  0.471793  1
  Fe  Fe320  1  0.368336  0.037769  0.513430  1
  Fe  Fe321  1  0.754047  0.614020  0.492575  1
  Fe  Fe322  1  0.035002  0.037769  0.513430  1
  Fe  Fe323  1  0.420714  0.614020  0.492575  1
  Fe  Fe324  1  0.087380  0.614020  0.492575  1
  Fe  Fe325  1  0.536868  0.641533  0.511164  1
  Fe  Fe326  1  0.203534  0.641533  0.511164  1
  Fe  Fe327  1  0.589448  0.217238  0.490355  1
  Fe  Fe328  1  0.870201  0.641533  0.511164  1
  Fe  Fe329  1  0.256115  0.217238  0.490355  1
  Fe  Fe330  1  0.484507  0.065352  0.531975  1
  Fe  Fe331  1  0.922781  0.217238  0.490355  1
  Fe  Fe332  1  0.151174  0.065352  0.531975  1
  Fe  Fe333  1  0.817840  0.065352  0.531975  1
  Fe  Fe334  1  0.386634  0.734773  0.511546  1
  Fe  Fe335  1  0.053301  0.734773  0.511546  1
  Fe  Fe336  1  0.439013  0.311025  0.490691  1
  Fe  Fe337  1  0.719968  0.734773  0.511546  1
  Fe  Fe338  1  0.105679  0.311025  0.490691  1
  Fe  Fe339  1  0.334131  0.159113  0.532328  1
  Fe  Fe340  1  0.772346  0.311025  0.490691  1
  Fe  Fe341  1  0.000798  0.159113  0.532328  1
  Fe  Fe342  1  0.667464  0.159113  0.532328  1
  Fe  Fe343  1  0.656762  0.463021  0.481705  1
  Fe  Fe344  1  0.323429  0.463021  0.481705  1
  Fe  Fe345  1  0.551868  0.311172  0.523313  1
  Fe  Fe346  1  0.990095  0.463021  0.481705  1
  Fe  Fe347  1  0.218535  0.311172  0.523313  1
  Fe  Fe348  1  0.604367  0.886822  0.502603  1
  Fe  Fe349  1  0.885201  0.311172  0.523313  1
  Fe  Fe350  1  0.271034  0.886822  0.502603  1
  Fe  Fe351  1  0.937700  0.886822  0.502603  1
  Fe  Fe352  1  0.656175  0.283442  0.472146  1
  Fe  Fe353  1  0.322841  0.283442  0.472146  1
  Fe  Fe354  1  0.551234  0.131555  0.513766  1
  Fe  Fe355  1  0.989508  0.283442  0.472146  1
  Fe  Fe356  1  0.217900  0.131555  0.513766  1
  Fe  Fe357  1  0.603814  0.707261  0.492957  1
  Fe  Fe358  1  0.884567  0.131555  0.513766  1
  Fe  Fe359  1  0.270481  0.707261  0.492957  1
  Fe  Fe360  1  0.937147  0.707261  0.492957  1
  Fe  Fe361  1  0.509946  0.832818  0.569539  1
  Fe  Fe362  1  0.176613  0.832818  0.569539  1
  Fe  Fe363  1  0.562343  0.408996  0.548679  1
  Fe  Fe364  1  0.843280  0.832818  0.569539  1
  Fe  Fe365  1  0.229009  0.408996  0.548679  1
  Fe  Fe366  1  0.457502  0.256990  0.590212  1
  Fe  Fe367  1  0.895676  0.408996  0.548679  1
  Fe  Fe368  1  0.124169  0.256990  0.590212  1
  Fe  Fe369  1  0.790836  0.256990  0.590212  1
  Fe  Fe370  1  0.368427  0.636315  0.538793  1
  Fe  Fe371  1  0.035093  0.636315  0.538793  1
  Fe  Fe372  1  0.263459  0.484650  0.580342  1
  Fe  Fe373  1  0.701760  0.636315  0.538793  1
  Fe  Fe374  1  0.930125  0.484650  0.580342  1
  Fe  Fe375  1  0.316068  0.060338  0.559543  1
  Fe  Fe376  1  0.596792  0.484650  0.580342  1
  Fe  Fe377  1  0.982735  0.060338  0.559543  1
  Fe  Fe378  1  0.649402  0.060338  0.559543  1
  Fe  Fe379  1  0.378968  0.733988  0.564088  1
  Fe  Fe380  1  0.045635  0.733988  0.564088  1
  Fe  Fe381  1  0.431402  0.310105  0.543131  1
  Fe  Fe382  1  0.712301  0.733988  0.564088  1
  Fe  Fe383  1  0.098069  0.310105  0.543131  1
  Fe  Fe384  1  0.326531  0.158185  0.584731  1
  Fe  Fe385  1  0.764736  0.310105  0.543131  1
  Fe  Fe386  1  0.993197  0.158185  0.584731  1
  Fe  Fe387  1  0.659864  0.158185  0.584731  1
  Fe  Fe388  1  0.381666  0.842885  0.534231  1
  Fe  Fe389  1  0.048332  0.842885  0.534231  1
  Fe  Fe390  1  0.276652  0.691123  0.575929  1
  Fe  Fe391  1  0.714999  0.842885  0.534231  1
  Fe  Fe392  1  0.943318  0.691123  0.575929  1
  Fe  Fe393  1  0.329156  0.267216  0.554892  1
  Fe  Fe394  1  0.609985  0.691123  0.575929  1
  Fe  Fe395  1  0.995822  0.267216  0.554892  1
  Fe  Fe396  1  0.662489  0.267216  0.554892  1
  Fe  Fe397  1  0.496742  0.626409  0.574125  1
  Fe  Fe398  1  0.163408  0.626409  0.574125  1
  Fe  Fe399  1  0.549160  0.202033  0.553152  1
  Fe  Fe400  1  0.830075  0.626409  0.574125  1
  Fe  Fe401  1  0.215827  0.202033  0.553152  1
  Fe  Fe402  1  0.444277  0.050327  0.594804  1
  Fe  Fe403  1  0.882494  0.202033  0.553152  1
  Fe  Fe404  1  0.110944  0.050327  0.594804  1
  Fe  Fe405  1  0.777611  0.050327  0.594804  1
  Fe  Fe406  1  0.649173  0.462241  0.534231  1
  Fe  Fe407  1  0.315840  0.462241  0.534231  1
  Fe  Fe408  1  0.544279  0.310176  0.575748  1
  Fe  Fe409  1  0.982507  0.462241  0.534231  1
  Fe  Fe410  1  0.210946  0.310176  0.575748  1
  Fe  Fe411  1  0.596709  0.886073  0.555157  1
  Fe  Fe412  1  0.877612  0.310176  0.575748  1
  Fe  Fe413  1  0.263375  0.886073  0.555157  1
  Fe  Fe414  1  0.930042  0.886073  0.555157  1
  Fe  Fe415  1  0.379644  0.913574  0.573688  1
  Fe  Fe416  1  0.046311  0.913574  0.573688  1
  Fe  Fe417  1  0.432067  0.489678  0.552842  1
  Fe  Fe418  1  0.712977  0.913574  0.573688  1
  Fe  Fe419  1  0.098734  0.489678  0.552842  1
  Fe  Fe420  1  0.327037  0.337801  0.594299  1
  Fe  Fe421  1  0.765401  0.489678  0.552842  1
  Fe  Fe422  1  0.993704  0.337801  0.594299  1
  Fe  Fe423  1  0.660370  0.337801  0.594299  1
  Fe  Fe424  1  0.229498  0.007106  0.574025  1
  Fe  Fe425  1  0.896165  0.007106  0.574025  1
  Fe  Fe426  1  0.281758  0.583041  0.553213  1
  Fe  Fe427  1  0.562832  0.007106  0.574025  1
  Fe  Fe428  1  0.948424  0.583041  0.553213  1
  Fe  Fe429  1  0.176601  0.431343  0.594701  1
  Fe  Fe430  1  0.615091  0.583041  0.553213  1
  Fe  Fe431  1  0.843268  0.431343  0.594701  1
  Fe  Fe432  1  0.509934  0.431343  0.594701  1
  Fe  Fe433  1  0.499414  0.735112  0.544248  1
  Fe  Fe434  1  0.166081  0.735112  0.544248  1
  Fe  Fe435  1  0.394444  0.583401  0.585983  1
  Fe  Fe436  1  0.832748  0.735112  0.544248  1
  Fe  Fe437  1  0.061111  0.583401  0.585983  1
  Fe  Fe438  1  0.447037  0.159208  0.564920  1
  Fe  Fe439  1  0.727778  0.583401  0.585983  1
  Fe  Fe440  1  0.113703  0.159208  0.564920  1
  Fe  Fe441  1  0.780370  0.159208  0.564920  1
  Fe  Fe442  1  0.498886  0.555527  0.534627  1
  Fe  Fe443  1  0.165553  0.555527  0.534627  1
  Fe  Fe444  1  0.393917  0.403840  0.576135  1
  Fe  Fe445  1  0.832220  0.555527  0.534627  1
  Fe  Fe446  1  0.060584  0.403840  0.576135  1
  Fe  Fe447  1  0.446378  0.979615  0.555429  1
  Fe  Fe448  1  0.727251  0.403840  0.576135  1
  Fe  Fe449  1  0.113045  0.979615  0.555429  1
  Fe  Fe450  1  0.779712  0.979615  0.555429  1
  Fe  Fe451  1  0.352417  0.105377  0.631885  1
  Fe  Fe452  1  0.019084  0.105377  0.631885  1
  Fe  Fe453  1  0.404992  0.681038  0.611206  1
  Fe  Fe454  1  0.685750  0.105377  0.631885  1
  Fe  Fe455  1  0.071659  0.681038  0.611206  1
  Fe  Fe456  1  0.300703  0.528744  0.652725  1
  Fe  Fe457  1  0.738325  0.681038  0.611206  1
  Fe  Fe458  1  0.967370  0.528744  0.652725  1
  Fe  Fe459  1  0.634036  0.528744  0.652725  1
  Fe  Fe460  1  0.211168  0.908520  0.601242  1
  Fe  Fe461  1  0.877835  0.908520  0.601242  1
  Fe  Fe462  1  0.106338  0.756790  0.643167  1
  Fe  Fe463  1  0.544502  0.908520  0.601242  1
  Fe  Fe464  1  0.773005  0.756790  0.643167  1
  Fe  Fe465  1  0.158626  0.332880  0.621807  1
  Fe  Fe466  1  0.439671  0.756790  0.643167  1
  Fe  Fe467  1  0.825293  0.332880  0.621807  1
  Fe  Fe468  1  0.491959  0.332880  0.621807  1
  Fe  Fe469  1  0.221454  0.006204  0.626456  1
  Fe  Fe470  1  0.888121  0.006204  0.626456  1
  Fe  Fe471  1  0.273936  0.582250  0.605773  1
  Fe  Fe472  1  0.554787  0.006204  0.626456  1
  Fe  Fe473  1  0.940602  0.582250  0.605773  1
  Fe  Fe474  1  0.169361  0.430746  0.647199  1
  Fe  Fe475  1  0.607269  0.582250  0.605773  1
  Fe  Fe476  1  0.836028  0.430746  0.647199  1
  Fe  Fe477  1  0.502694  0.430746  0.647199  1
  Fe  Fe478  1  0.224035  0.115377  0.596476  1
  Fe  Fe479  1  0.890702  0.115377  0.596476  1
  Fe  Fe480  1  0.119527  0.963360  0.638476  1
  Fe  Fe481  1  0.557368  0.115377  0.596476  1
  Fe  Fe482  1  0.786194  0.963360  0.638476  1
  Fe  Fe483  1  0.171988  0.539251  0.617757  1
  Fe  Fe484  1  0.452860  0.963360  0.638476  1
  Fe  Fe485  1  0.838655  0.539251  0.617757  1
  Fe  Fe486  1  0.505321  0.539251  0.617757  1
  Fe  Fe487  1  0.339552  0.898745  0.636644  1
  Fe  Fe488  1  0.006218  0.898745  0.636644  1
  Fe  Fe489  1  0.391881  0.474474  0.615781  1
  Fe  Fe490  1  0.672885  0.898745  0.636644  1
  Fe  Fe491  1  0.058547  0.474474  0.615781  1
  Fe  Fe492  1  0.286655  0.323083  0.657224  1
  Fe  Fe493  1  0.725214  0.474474  0.615781  1
  Fe  Fe494  1  0.953321  0.323083  0.657224  1
  Fe  Fe495  1  0.619988  0.323083  0.657224  1
  Fe  Fe496  1  0.491545  0.734298  0.596853  1
  Fe  Fe497  1  0.158212  0.734298  0.596853  1
  Fe  Fe498  1  0.385740  0.582945  0.638921  1
  Fe  Fe499  1  0.824879  0.734298  0.596853  1
  Fe  Fe500  1  0.052407  0.582945  0.638921  1
  Fe  Fe501  1  0.439261  0.158308  0.617370  1
  Fe  Fe502  1  0.719073  0.582945  0.638921  1
  Fe  Fe503  1  0.105928  0.158308  0.617370  1
  Fe  Fe504  1  0.772595  0.158308  0.617370  1
  Fe  Fe505  1  0.222425  0.185648  0.635922  1
  Fe  Fe506  1  0.889092  0.185648  0.635922  1
  Fe  Fe507  1  0.274836  0.761759  0.615338  1
  Fe  Fe508  1  0.555759  0.185648  0.635922  1
  Fe  Fe509  1  0.941503  0.761759  0.615338  1
  Fe  Fe510  1  0.170267  0.610109  0.657091  1
  Fe  Fe511  1  0.608170  0.761759  0.615338  1
  Fe  Fe512  1  0.836933  0.610109  0.657091  1
  Fe  Fe513  1  0.503600  0.610109  0.657091  1
  Fe  Fe514  1  0.071592  0.279674  0.636308  1
  Fe  Fe515  1  0.738259  0.279674  0.636308  1
  Fe  Fe516  1  0.124522  0.855300  0.615604  1
  Fe  Fe517  1  0.404925  0.279674  0.636308  1
  Fe  Fe518  1  0.791188  0.855300  0.615604  1
  Fe  Fe519  1  0.019541  0.703800  0.657161  1
  Fe  Fe520  1  0.457855  0.855300  0.615604  1
  Fe  Fe521  1  0.686207  0.703800  0.657161  1
  Fe  Fe522  1  0.352874  0.703800  0.657161  1
  Fe  Fe523  1  0.342151  0.007430  0.606632  1
  Fe  Fe524  1  0.008817  0.007430  0.606632  1
  Fe  Fe525  1  0.237600  0.855301  0.648566  1
  Fe  Fe526  1  0.675484  0.007430  0.606632  1
  Fe  Fe527  1  0.904267  0.855301  0.648566  1
  Fe  Fe528  1  0.289775  0.431372  0.627580  1
  Fe  Fe529  1  0.570934  0.855301  0.648566  1
  Fe  Fe530  1  0.956441  0.431372  0.627580  1
  Fe  Fe531  1  0.623108  0.431372  0.627580  1
  Fe  Fe532  1  0.341477  0.827851  0.597043  1
  Fe  Fe533  1  0.008143  0.827851  0.597043  1
  Fe  Fe534  1  0.236676  0.676135  0.638675  1
  Fe  Fe535  1  0.674810  0.827851  0.597043  1
  Fe  Fe536  1  0.903343  0.676135  0.638675  1
  Fe  Fe537  1  0.289029  0.251986  0.617722  1
  Fe  Fe538  1  0.570009  0.676135  0.638675  1
  Fe  Fe539  1  0.955696  0.251986  0.617722  1
  Fe  Fe540  1  0.622363  0.251986  0.617722  1
  Fe  Fe541  1  0.194283  0.382721  0.697557  1
  Fe  Fe542  1  0.860949  0.382721  0.697557  1
  Fe  Fe543  1  0.248403  0.952840  0.673477  1
  Fe  Fe544  1  0.527616  0.382721  0.697557  1
  Fe  Fe545  1  0.915070  0.952840  0.673477  1
  Fe  Fe546  1  0.141816  0.808520  0.718814  1
  Fe  Fe547  1  0.581736  0.952840  0.673477  1
  Fe  Fe548  1  0.808483  0.808520  0.718814  1
  Fe  Fe549  1  0.475150  0.808520  0.718814  1
  Fe  Fe550  1  0.053247  0.181205  0.663860  1
  Fe  Fe551  1  0.719914  0.181205  0.663860  1
  Fe  Fe552  1  0.950208  0.029159  0.707402  1
  Fe  Fe553  1  0.386581  0.181205  0.663860  1
  Fe  Fe554  1  0.616874  0.029159  0.707402  1
  Fe  Fe555  1  0.002650  0.603559  0.686908  1
  Fe  Fe556  1  0.283541  0.029159  0.707402  1
  Fe  Fe557  1  0.669317  0.603559  0.686908  1
  Fe  Fe558  1  0.335983  0.603559  0.686908  1
  Fe  Fe559  1  0.065490  0.278553  0.689771  1
  Fe  Fe560  1  0.732157  0.278553  0.689771  1
  Fe  Fe561  1  0.116797  0.855311  0.668114  1
  Fe  Fe562  1  0.398823  0.278553  0.689771  1
  Fe  Fe563  1  0.783464  0.855311  0.668114  1
  Fe  Fe564  1  0.012295  0.706237  0.709851  1
  Fe  Fe565  1  0.450131  0.855311  0.668114  1
  Fe  Fe566  1  0.678962  0.706237  0.709851  1
  Fe  Fe567  1  0.345629  0.706237  0.709851  1
  Fe  Fe568  1  0.067524  0.387261  0.658513  1
  Fe  Fe569  1  0.734191  0.387261  0.658513  1
  Fe  Fe570  1  0.949642  0.239590  0.701233  1
  Fe  Fe571  1  0.400857  0.387261  0.658513  1
  Fe  Fe572  1  0.616308  0.239590  0.701233  1
  Fe  Fe573  1  0.014867  0.812294  0.679399  1
  Fe  Fe574  1  0.282975  0.239590  0.701233  1
  Fe  Fe575  1  0.681534  0.812294  0.679399  1
  Fe  Fe576  1  0.348200  0.812294  0.679399  1
  Fe  Fe577  1  0.181454  0.171077  0.698789  1
  Fe  Fe578  1  0.848120  0.171077  0.698789  1
  Fe  Fe579  1  0.234318  0.746214  0.678170  1
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  Fe  Fe581  1  0.900985  0.746214  0.678170  1
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  Fe  Fe583  1  0.567652  0.746214  0.678170  1
  Fe  Fe584  1  0.794689  0.599791  0.720423  1
  Fe  Fe585  1  0.461356  0.599791  0.720423  1
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  Fe  Fe587  1  0.999846  0.007384  0.659586  1
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  Fe  Fe589  1  0.666513  0.007384  0.659586  1
  Fe  Fe590  1  0.896167  0.855173  0.701050  1
  Fe  Fe591  1  0.282283  0.430623  0.680259  1
  Fe  Fe592  1  0.562834  0.855173  0.701050  1
  Fe  Fe593  1  0.948949  0.430623  0.680259  1
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  Fe  Fe598  1  0.393305  0.455321  0.698383  1
  Fe  Fe599  1  0.784321  0.034879  0.677394  1
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  C  C649  1  0.907144  0.703828  0.324730  1
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  C  C675  1  0.178994  0.412397  0.403855  1
  C  C676  1  0.070033  0.861222  0.346138  1
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  C  C679  1  0.403366  0.861222  0.346138  1
  C  C680  1  0.632310  0.709265  0.387964  1
  C  C681  1  0.018182  0.285139  0.367410  1
  C  C682  1  0.298977  0.709265  0.387964  1
  C  C683  1  0.684848  0.285139  0.367410  1
  C  C684  1  0.351515  0.285139  0.367410  1
  C  C685  1  0.752145  0.974515  0.387169  1
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  C  C687  1  0.804308  0.550308  0.366257  1
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  C  C689  1  0.470975  0.550308  0.366257  1
  C  C690  1  0.699583  0.398692  0.407770  1
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  C  C694  1  0.924151  0.847304  0.349998  1
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  C  C702  1  0.205206  0.271720  0.371381  1
  C  C703  1  0.740763  0.260582  0.445690  1
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  C  C705  1  0.793274  0.836428  0.424700  1
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  C  C707  1  0.459941  0.836428  0.424700  1
  C  C708  1  0.688345  0.684705  0.466384  1
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  C  C712  1  0.913091  0.133335  0.409069  1
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  C  C720  1  0.193990  0.557522  0.429720  1
  C  C721  1  0.594691  0.247002  0.449466  1
  C  C722  1  0.261358  0.247002  0.449466  1
  C  C723  1  0.647332  0.822523  0.428541  1
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  C  C864  1  0.566870  0.644966  0.679392  1
  C  C865  1  0.964741  0.333888  0.697777  1
  C  C866  1  0.631407  0.333888  0.697777  1
  C  C867  1  0.018270  0.912499  0.679034  1
  C  C868  1  0.298074  0.333888  0.697777  1
  C  C869  1  0.684937  0.912499  0.679034  1
  C  C870  1  0.912270  0.759642  0.719616  1
  C  C871  1  0.351603  0.912499  0.679034  1
  C  C872  1  0.578936  0.759642  0.719616  1
  C  C873  1  0.245603  0.759642  0.719616  1
  C  C874  1  0.137389  0.208472  0.662315  1
  C  C875  1  0.804056  0.208472  0.662315  1
  C  C876  1  0.032574  0.059034  0.704015  1
  C  C877  1  0.470722  0.208472  0.662315  1
  C  C878  1  0.699241  0.059034  0.704015  1
  C  C879  1  0.085025  0.633435  0.683484  1
  C  C880  1  0.365908  0.059034  0.704015  1
  C  C881  1  0.751691  0.633435  0.683484  1
  C  C882  1  0.418358  0.633435  0.683484  1
