# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.82421384
_cell_length_b   16.20084451
_cell_length_c   47.30656146
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.62783424
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe432 C144'
_cell_volume   12144.9581063
_cell_formula_units_Z   144
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  0.599092  0.230227  0.348802  1
  Fe  Fe2  1  0.227754  0.276945  0.326692  1
  Fe  Fe3  1  0.847227  0.304409  0.297539  1
  Fe  Fe4  1  0.847227  0.804409  0.297539  1
  Fe  Fe5  1  0.599092  0.730227  0.348802  1
  Fe  Fe6  1  0.227754  0.776945  0.326692  1
  Fe  Fe7  1  0.692258  0.008093  0.329890  1
  Fe  Fe8  1  0.319244  0.056103  0.305812  1
  Fe  Fe9  1  0.065132  0.962317  0.354384  1
  Fe  Fe10  1  0.065132  0.462317  0.354384  1
  Fe  Fe11  1  0.692258  0.508093  0.329890  1
  Fe  Fe12  1  0.319244  0.556103  0.305812  1
  Fe  Fe13  1  0.746350  0.250041  0.335737  1
  Fe  Fe14  1  0.369983  0.284410  0.310177  1
  Fe  Fe15  1  0.993409  0.334980  0.285691  1
  Fe  Fe16  1  0.993409  0.834980  0.285691  1
  Fe  Fe17  1  0.746350  0.750041  0.335737  1
  Fe  Fe18  1  0.369983  0.784410  0.310177  1
  Fe  Fe19  1  0.838248  0.032246  0.316481  1
  Fe  Fe20  1  0.462177  0.068191  0.292192  1
  Fe  Fe21  1  0.212109  0.984254  0.342664  1
  Fe  Fe22  1  0.212109  0.484254  0.342664  1
  Fe  Fe23  1  0.838248  0.532246  0.316481  1
  Fe  Fe24  1  0.462177  0.568191  0.292192  1
  Fe  Fe25  1  0.560267  0.243612  0.291795  1
  Fe  Fe26  1  0.306924  0.154997  0.340691  1
  Fe  Fe27  1  0.935109  0.201672  0.313792  1
  Fe  Fe28  1  0.935109  0.701672  0.313792  1
  Fe  Fe29  1  0.560267  0.743612  0.291795  1
  Fe  Fe30  1  0.306924  0.654997  0.340691  1
  Fe  Fe31  1  0.598549  0.121869  0.316027  1
  Fe  Fe32  1  0.224095  0.165103  0.293400  1
  Fe  Fe33  1  0.977116  0.078470  0.338974  1
  Fe  Fe34  1  0.977116  0.578470  0.338974  1
  Fe  Fe35  1  0.598549  0.621869  0.316027  1
  Fe  Fe36  1  0.224095  0.665103  0.293400  1
  Fe  Fe37  1  0.747952  0.390742  0.305063  1
  Fe  Fe38  1  0.482417  0.311256  0.351384  1
  Fe  Fe39  1  0.112772  0.353986  0.329985  1
  Fe  Fe40  1  0.112772  0.853986  0.329985  1
  Fe  Fe41  1  0.747952  0.890742  0.305063  1
  Fe  Fe42  1  0.482417  0.811256  0.351384  1
  Fe  Fe43  1  0.840497  0.890639  0.345052  1
  Fe  Fe44  1  0.467920  0.938875  0.319097  1
  Fe  Fe45  1  0.094719  0.983603  0.295980  1
  Fe  Fe46  1  0.094719  0.483603  0.295980  1
  Fe  Fe47  1  0.840497  0.390639  0.345052  1
  Fe  Fe48  1  0.467920  0.438875  0.319097  1
  Fe  Fe49  1  0.749566  0.140241  0.305685  1
  Fe  Fe50  1  0.502115  0.055044  0.351614  1
  Fe  Fe51  1  0.126973  0.095600  0.329929  1
  Fe  Fe52  1  0.126973  0.595600  0.329929  1
  Fe  Fe53  1  0.749566  0.640241  0.305685  1
  Fe  Fe54  1  0.502115  0.555044  0.351614  1
  Fe  Fe55  1  0.834655  0.135939  0.351613  1
  Fe  Fe56  1  0.459462  0.180757  0.327876  1
  Fe  Fe57  1  0.090896  0.224375  0.304617  1
  Fe  Fe58  1  0.090896  0.724375  0.304617  1
  Fe  Fe59  1  0.834655  0.635939  0.351613  1
  Fe  Fe60  1  0.459462  0.680757  0.327876  1
  Fe  Fe61  1  0.594561  0.991560  0.291116  1
  Fe  Fe62  1  0.331006  0.905941  0.338347  1
  Fe  Fe63  1  0.953338  0.949691  0.313720  1
  Fe  Fe64  1  0.953338  0.449691  0.313720  1
  Fe  Fe65  1  0.594561  0.491560  0.291116  1
  Fe  Fe66  1  0.331006  0.405941  0.338347  1
  Fe  Fe67  1  0.600228  0.367546  0.321190  1
  Fe  Fe68  1  0.223428  0.410189  0.297218  1
  Fe  Fe69  1  0.973988  0.326757  0.340752  1
  Fe  Fe70  1  0.973988  0.826757  0.340752  1
  Fe  Fe71  1  0.600228  0.867546  0.321190  1
  Fe  Fe72  1  0.223428  0.910189  0.297218  1
  Fe  Fe73  1  0.720671  0.095013  0.418721  1
  Fe  Fe74  1  0.346787  0.139491  0.395659  1
  Fe  Fe75  1  0.973669  0.183986  0.371760  1
  Fe  Fe76  1  0.973669  0.683986  0.371760  1
  Fe  Fe77  1  0.720671  0.595013  0.418721  1
  Fe  Fe78  1  0.346787  0.639491  0.395659  1
  Fe  Fe79  1  0.813264  0.875644  0.401018  1
  Fe  Fe80  1  0.438585  0.920087  0.377283  1
  Fe  Fe81  1  0.185040  0.831410  0.425625  1
  Fe  Fe82  1  0.185040  0.331410  0.425625  1
  Fe  Fe83  1  0.813264  0.375644  0.401018  1
  Fe  Fe84  1  0.438585  0.420087  0.377283  1
  Fe  Fe85  1  0.867563  0.117197  0.407036  1
  Fe  Fe86  1  0.493801  0.161842  0.383578  1
  Fe  Fe87  1  0.117993  0.206298  0.359493  1
  Fe  Fe88  1  0.117993  0.706298  0.359493  1
  Fe  Fe89  1  0.867563  0.617197  0.407036  1
  Fe  Fe90  1  0.493801  0.661842  0.383578  1
  Fe  Fe91  1  0.958323  0.898791  0.389057  1
  Fe  Fe92  1  0.586526  0.942400  0.365431  1
  Fe  Fe93  1  0.332451  0.854505  0.413868  1
  Fe  Fe94  1  0.332451  0.354505  0.413868  1
  Fe  Fe95  1  0.958323  0.398791  0.389057  1
  Fe  Fe96  1  0.586526  0.442400  0.365431  1
  Fe  Fe97  1  0.682778  0.112359  0.362928  1
  Fe  Fe98  1  0.428172  0.022154  0.410750  1
  Fe  Fe99  1  0.056976  0.069306  0.386187  1
  Fe  Fe100  1  0.056976  0.569306  0.386187  1
  Fe  Fe101  1  0.682778  0.612359  0.362928  1
  Fe  Fe102  1  0.428172  0.522154  0.410750  1
  Fe  Fe103  1  0.733124  0.993324  0.385583  1
  Fe  Fe104  1  0.357179  0.036318  0.362474  1
  Fe  Fe105  1  0.100981  0.947693  0.410666  1
  Fe  Fe106  1  0.100981  0.447693  0.410666  1
  Fe  Fe107  1  0.733124  0.493324  0.385583  1
  Fe  Fe108  1  0.357179  0.536318  0.362474  1
  Fe  Fe109  1  0.864184  0.265685  0.375218  1
  Fe  Fe110  1  0.611637  0.176204  0.423338  1
  Fe  Fe111  1  0.237473  0.219960  0.400359  1
  Fe  Fe112  1  0.237473  0.719960  0.400359  1
  Fe  Fe113  1  0.864184  0.765685  0.375218  1
  Fe  Fe114  1  0.611637  0.676204  0.423338  1
  Fe  Fe115  1  0.957108  0.754437  0.419079  1
  Fe  Fe116  1  0.585932  0.801476  0.394069  1
  Fe  Fe117  1  0.210611  0.844066  0.371655  1
  Fe  Fe118  1  0.210611  0.344066  0.371655  1
  Fe  Fe119  1  0.957108  0.254437  0.419079  1
  Fe  Fe120  1  0.585932  0.301476  0.394069  1
  Fe  Fe121  1  0.876290  0.011911  0.375304  1
  Fe  Fe122  1  0.625642  0.928253  0.421100  1
  Fe  Fe123  1  0.250591  0.969506  0.398916  1
  Fe  Fe124  1  0.250591  0.469506  0.398916  1
  Fe  Fe125  1  0.876290  0.511911  0.375304  1
  Fe  Fe126  1  0.625642  0.428253  0.421100  1
  Fe  Fe127  1  0.948665  0.000846  0.422327  1
  Fe  Fe128  1  0.574936  0.044672  0.398371  1
  Fe  Fe129  1  0.204389  0.088503  0.375719  1
  Fe  Fe130  1  0.204389  0.588503  0.375719  1
  Fe  Fe131  1  0.948665  0.500846  0.422327  1
  Fe  Fe132  1  0.574936  0.544672  0.398371  1
  Fe  Fe133  1  0.701927  0.862753  0.361182  1
  Fe  Fe134  1  0.441934  0.773369  0.409093  1
  Fe  Fe135  1  0.065907  0.817118  0.384913  1
  Fe  Fe136  1  0.065907  0.317118  0.384913  1
  Fe  Fe137  1  0.701927  0.362753  0.361182  1
  Fe  Fe138  1  0.441934  0.273369  0.409093  1
  Fe  Fe139  1  0.721085  0.236770  0.390653  1
  Fe  Fe140  1  0.345091  0.278838  0.368159  1
  Fe  Fe141  1  0.095540  0.194415  0.412784  1
  Fe  Fe142  1  0.095540  0.694415  0.412784  1
  Fe  Fe143  1  0.721085  0.736770  0.390653  1
  Fe  Fe144  1  0.345091  0.778838  0.368159  1
  Fe  Fe145  1  0.839448  0.961567  0.490144  1
  Fe  Fe146  1  0.466345  0.006311  0.466315  1
  Fe  Fe147  1  0.093047  0.050735  0.443290  1
  Fe  Fe148  1  0.093047  0.550735  0.443290  1
  Fe  Fe149  1  0.839448  0.461567  0.490144  1
  Fe  Fe150  1  0.466345  0.506311  0.466315  1
  Fe  Fe151  1  0.931514  0.743500  0.472916  1
  Fe  Fe152  1  0.558832  0.788371  0.448643  1
  Fe  Fe153  1  0.304225  0.699726  0.496686  1
  Fe  Fe154  1  0.304225  0.199726  0.496686  1
  Fe  Fe155  1  0.931514  0.243500  0.472916  1
  Fe  Fe156  1  0.558832  0.288371  0.448643  1
  Fe  Fe157  1  0.986222  0.983703  0.478682  1
  Fe  Fe158  1  0.613897  0.028222  0.454503  1
  Fe  Fe159  1  0.240031  0.072399  0.431095  1
  Fe  Fe160  1  0.240031  0.572399  0.431095  1
  Fe  Fe161  1  0.986222  0.483703  0.478682  1
  Fe  Fe162  1  0.613897  0.528222  0.454503  1
  Fe  Fe163  1  0.078100  0.765890  0.461193  1
  Fe  Fe164  1  0.706090  0.811099  0.437078  1
  Fe  Fe165  1  0.451836  0.721668  0.484845  1
  Fe  Fe166  1  0.451836  0.221668  0.484845  1
  Fe  Fe167  1  0.078100  0.265890  0.461193  1
  Fe  Fe168  1  0.706090  0.311099  0.437078  1
  Fe  Fe169  1  0.801884  0.977629  0.434445  1
  Fe  Fe170  1  0.546576  0.888172  0.482249  1
  Fe  Fe171  1  0.173457  0.932414  0.458621  1
  Fe  Fe172  1  0.173457  0.432414  0.458621  1
  Fe  Fe173  1  0.801884  0.477629  0.434445  1
  Fe  Fe174  1  0.546576  0.388172  0.482249  1
  Fe  Fe175  1  0.853330  0.860023  0.457711  1
  Fe  Fe176  1  0.480624  0.904222  0.433955  1
  Fe  Fe177  1  0.225937  0.815763  0.482089  1
  Fe  Fe178  1  0.225937  0.315763  0.482089  1
  Fe  Fe179  1  0.853330  0.360023  0.457711  1
  Fe  Fe180  1  0.480624  0.404222  0.433955  1
  Fe  Fe181  1  0.986698  0.130888  0.447213  1
  Fe  Fe182  1  0.732857  0.042645  0.494695  1
  Fe  Fe183  1  0.358838  0.086719  0.471083  1
  Fe  Fe184  1  0.358838  0.586719  0.471083  1
  Fe  Fe185  1  0.986698  0.630888  0.447213  1
  Fe  Fe186  1  0.732857  0.542645  0.494695  1
  Fe  Fe187  1  0.075442  0.621288  0.491106  1
  Fe  Fe188  1  0.703285  0.666464  0.466698  1
  Fe  Fe189  1  0.330055  0.710315  0.443150  1
  Fe  Fe190  1  0.330055  0.210315  0.443150  1
  Fe  Fe191  1  0.075442  0.121288  0.491106  1
  Fe  Fe192  1  0.703285  0.166464  0.466698  1
  Fe  Fe193  1  0.997494  0.881977  0.445972  1
  Fe  Fe194  1  0.744343  0.795878  0.492650  1
  Fe  Fe195  1  0.371952  0.840013  0.468952  1
  Fe  Fe196  1  0.371952  0.340013  0.468952  1
  Fe  Fe197  1  0.997494  0.381977  0.445972  1
  Fe  Fe198  1  0.744343  0.295878  0.492650  1
  Fe  Fe199  1  0.064400  0.867206  0.493677  1
  Fe  Fe200  1  0.691800  0.912534  0.469486  1
  Fe  Fe201  1  0.319611  0.955957  0.446044  1
  Fe  Fe202  1  0.319611  0.455957  0.446044  1
  Fe  Fe203  1  0.064400  0.367206  0.493677  1
  Fe  Fe204  1  0.691800  0.412534  0.469486  1
  Fe  Fe205  1  0.814204  0.730090  0.432768  1
  Fe  Fe206  1  0.559200  0.641744  0.480102  1
  Fe  Fe207  1  0.185141  0.685361  0.456779  1
  Fe  Fe208  1  0.185141  0.185361  0.456779  1
  Fe  Fe209  1  0.814204  0.230090  0.432768  1
  Fe  Fe210  1  0.559200  0.141744  0.480102  1
  Fe  Fe211  1  0.842286  0.106052  0.460553  1
  Fe  Fe212  1  0.468190  0.148899  0.437478  1
  Fe  Fe213  1  0.214714  0.061357  0.484622  1
  Fe  Fe214  1  0.214714  0.561357  0.484622  1
  Fe  Fe215  1  0.842286  0.606052  0.460553  1
  Fe  Fe216  1  0.468190  0.648899  0.437478  1
  Fe  Fe217  1  0.957694  0.828369  0.561887  1
  Fe  Fe218  1  0.585684  0.873579  0.537772  1
  Fe  Fe219  1  0.211948  0.917801  0.514120  1
  Fe  Fe220  1  0.211948  0.417801  0.514120  1
  Fe  Fe221  1  0.957694  0.328369  0.561887  1
  Fe  Fe222  1  0.585684  0.373579  0.537772  1
  Fe  Fe223  1  0.049887  0.611247  0.544462  1
  Fe  Fe224  1  0.677562  0.655765  0.520283  1
  Fe  Fe225  1  0.423753  0.567069  0.567870  1
  Fe  Fe226  1  0.423753  0.067069  0.567870  1
  Fe  Fe227  1  0.049887  0.111247  0.544462  1
  Fe  Fe228  1  0.677562  0.155765  0.520283  1
  Fe  Fe229  1  0.104952  0.851098  0.550323  1
  Fe  Fe230  1  0.732270  0.895968  0.526049  1
  Fe  Fe231  1  0.359559  0.939742  0.502280  1
  Fe  Fe232  1  0.359559  0.439742  0.502280  1
  Fe  Fe233  1  0.104952  0.351098  0.550323  1
  Fe  Fe234  1  0.732270  0.395968  0.526049  1
  Fe  Fe235  1  0.197439  0.633158  0.532651  1
  Fe  Fe236  1  0.824336  0.677901  0.508821  1
  Fe  Fe237  1  0.570737  0.588734  0.555675  1
  Fe  Fe238  1  0.570737  0.088734  0.555675  1
  Fe  Fe239  1  0.197439  0.133158  0.532651  1
  Fe  Fe240  1  0.824336  0.177901  0.508821  1
  Fe  Fe241  1  0.919441  0.843590  0.506315  1
  Fe  Fe242  1  0.666290  0.757491  0.552994  1
  Fe  Fe243  1  0.291832  0.799456  0.530014  1
  Fe  Fe244  1  0.291832  0.299456  0.530014  1
  Fe  Fe245  1  0.919441  0.343590  0.506315  1
  Fe  Fe246  1  0.666290  0.257491  0.552994  1
  Fe  Fe247  1  0.971984  0.726935  0.529480  1
  Fe  Fe248  1  0.599384  0.772262  0.505288  1
  Fe  Fe249  1  0.344173  0.683511  0.552922  1
  Fe  Fe250  1  0.344173  0.183511  0.552922  1
  Fe  Fe251  1  0.971984  0.226935  0.529480  1
  Fe  Fe252  1  0.599384  0.272262  0.505288  1
  Fe  Fe253  1  0.104584  0.997725  0.518864  1
  Fe  Fe254  1  0.849580  0.909378  0.566197  1
  Fe  Fe255  1  0.478643  0.954107  0.542186  1
  Fe  Fe256  1  0.478643  0.454107  0.542186  1
  Fe  Fe257  1  0.104584  0.497725  0.518864  1
  Fe  Fe258  1  0.849580  0.409378  0.566197  1
  Fe  Fe259  1  0.195594  0.490569  0.561487  1
  Fe  Fe260  1  0.821498  0.533417  0.538412  1
  Fe  Fe261  1  0.449070  0.578112  0.514343  1
  Fe  Fe262  1  0.449070  0.078112  0.514343  1
  Fe  Fe263  1  0.195594  0.990569  0.561487  1
  Fe  Fe264  1  0.821498  0.033417  0.538412  1
  Fe  Fe265  1  0.117208  0.751297  0.516716  1
  Fe  Fe266  1  0.861900  0.661840  0.564520  1
  Fe  Fe267  1  0.490327  0.707054  0.540344  1
  Fe  Fe268  1  0.490327  0.207054  0.540344  1
  Fe  Fe269  1  0.117208  0.251297  0.516716  1
  Fe  Fe270  1  0.861900  0.161840  0.564520  1
  Fe  Fe271  1  0.183160  0.735246  0.565010  1
  Fe  Fe272  1  0.810454  0.779446  0.541254  1
  Fe  Fe273  1  0.437847  0.823705  0.516877  1
  Fe  Fe274  1  0.437847  0.323705  0.516877  1
  Fe  Fe275  1  0.183160  0.235246  0.565010  1
  Fe  Fe276  1  0.810454  0.279446  0.541254  1
  Fe  Fe277  1  0.930927  0.596824  0.504270  1
  Fe  Fe278  1  0.677086  0.508581  0.551753  1
  Fe  Fe279  1  0.304946  0.552749  0.527883  1
  Fe  Fe280  1  0.304946  0.052749  0.527883  1
  Fe  Fe281  1  0.930927  0.096824  0.504270  1
  Fe  Fe282  1  0.677086  0.008581  0.551753  1
  Fe  Fe283  1  0.960499  0.973005  0.532267  1
  Fe  Fe284  1  0.588342  0.018180  0.507860  1
  Fe  Fe285  1  0.333729  0.929153  0.555816  1
  Fe  Fe286  1  0.333729  0.429153  0.555816  1
  Fe  Fe287  1  0.960499  0.473005  0.532267  1
  Fe  Fe288  1  0.588342  0.518180  0.507860  1
  Fe  Fe289  1  0.077258  0.697069  0.633535  1
  Fe  Fe290  1  0.705461  0.740678  0.609909  1
  Fe  Fe291  1  0.331333  0.784964  0.585097  1
  Fe  Fe292  1  0.331333  0.284964  0.585097  1
  Fe  Fe293  1  0.077258  0.197069  0.633535  1
  Fe  Fe294  1  0.705461  0.240678  0.609909  1
  Fe  Fe295  1  0.169983  0.477626  0.615387  1
  Fe  Fe296  1  0.796221  0.522272  0.591929  1
  Fe  Fe297  1  0.545791  0.433171  0.639473  1
  Fe  Fe298  1  0.545791  0.933171  0.639473  1
  Fe  Fe299  1  0.169983  0.977626  0.615387  1
  Fe  Fe300  1  0.796221  0.022272  0.591929  1
  Fe  Fe301  1  0.225199  0.719382  0.621683  1
  Fe  Fe302  1  0.850520  0.763824  0.597948  1
  Fe  Fe303  1  0.478744  0.808058  0.573340  1
  Fe  Fe304  1  0.478744  0.308058  0.573340  1
  Fe  Fe305  1  0.225199  0.219382  0.621683  1
  Fe  Fe306  1  0.850520  0.263824  0.597948  1
  Fe  Fe307  1  0.316997  0.499978  0.603306  1
  Fe  Fe308  1  0.943113  0.544456  0.580245  1
  Fe  Fe309  1  0.690115  0.455483  0.627205  1
  Fe  Fe310  1  0.690115  0.955483  0.627205  1
  Fe  Fe311  1  0.316997  0.999978  0.603306  1
  Fe  Fe312  1  0.943113  0.044456  0.580245  1
  Fe  Fe313  1  0.038142  0.711216  0.577866  1
  Fe  Fe314  1  0.787494  0.627557  0.623662  1
  Fe  Fe315  1  0.413193  0.669962  0.600049  1
  Fe  Fe316  1  0.413193  0.169962  0.600049  1
  Fe  Fe317  1  0.038142  0.211216  0.577866  1
  Fe  Fe318  1  0.787494  0.127557  0.623662  1
  Fe  Fe319  1  0.088848  0.594797  0.600594  1
  Fe  Fe320  1  0.715119  0.638622  0.576638  1
  Fe  Fe321  1  0.459395  0.550965  0.623246  1
  Fe  Fe322  1  0.459395  0.050965  0.623246  1
  Fe  Fe323  1  0.088848  0.094797  0.600594  1
  Fe  Fe324  1  0.715119  0.138622  0.576638  1
  Fe  Fe325  1  0.221850  0.866099  0.589872  1
  Fe  Fe326  1  0.961857  0.776716  0.637783  1
  Fe  Fe327  1  0.597877  0.822350  0.614052  1
  Fe  Fe328  1  0.597877  0.322350  0.614052  1
  Fe  Fe329  1  0.221850  0.366099  0.589872  1
  Fe  Fe330  1  0.961857  0.276716  0.637783  1
  Fe  Fe331  1  0.318693  0.360630  0.630806  1
  Fe  Fe332  1  0.942699  0.402698  0.608313  1
  Fe  Fe333  1  0.568244  0.445054  0.586182  1
  Fe  Fe334  1  0.568244  0.945054  0.586182  1
  Fe  Fe335  1  0.318693  0.860630  0.630806  1
  Fe  Fe336  1  0.942699  0.902698  0.608313  1
  Fe  Fe337  1  0.235612  0.617314  0.588215  1
  Fe  Fe338  1  0.981006  0.527110  0.636038  1
  Fe  Fe339  1  0.606808  0.570162  0.612778  1
  Fe  Fe340  1  0.606808  0.070162  0.612778  1
  Fe  Fe341  1  0.235612  0.117314  0.588215  1
  Fe  Fe342  1  0.981006  0.027110  0.636038  1
  Fe  Fe343  1  0.306605  0.603151  0.636491  1
  Fe  Fe344  1  0.930660  0.646145  0.613383  1
  Fe  Fe345  1  0.562803  0.691776  0.588299  1
  Fe  Fe346  1  0.562803  0.191776  0.588299  1
  Fe  Fe347  1  0.306605  0.103151  0.636491  1
  Fe  Fe348  1  0.930660  0.146145  0.613383  1
  Fe  Fe349  1  0.052147  0.463264  0.575627  1
  Fe  Fe350  1  0.799600  0.373784  0.623748  1
  Fe  Fe351  1  0.426311  0.419508  0.598606  1
  Fe  Fe352  1  0.426311  0.919508  0.598606  1
  Fe  Fe353  1  0.052147  0.963264  0.575627  1
  Fe  Fe354  1  0.799600  0.873784  0.623748  1
  Fe  Fe355  1  0.077852  0.837992  0.604897  1
  Fe  Fe356  1  0.706676  0.885032  0.579886  1
  Fe  Fe357  1  0.453173  0.795402  0.627311  1
  Fe  Fe358  1  0.453173  0.295402  0.627311  1
  Fe  Fe359  1  0.077852  0.337992  0.604897  1
  Fe  Fe360  1  0.706676  0.385032  0.579886  1
  Fe  Fe361  1  0.201607  0.571277  0.706774  1
  Fe  Fe362  1  0.825536  0.607222  0.682485  1
  Fe  Fe363  1  0.451675  0.655214  0.656301  1
  Fe  Fe364  1  0.451675  0.155214  0.656301  1
  Fe  Fe365  1  0.201607  0.071277  0.706774  1
  Fe  Fe366  1  0.825536  0.107222  0.682485  1
  Fe  Fe367  1  0.293801  0.355059  0.688788  1
  Fe  Fe368  1  0.917434  0.389428  0.663228  1
  Fe  Fe369  1  0.670375  0.304488  0.713275  1
  Fe  Fe370  1  0.670375  0.804488  0.713275  1
  Fe  Fe371  1  0.293801  0.855059  0.688788  1
  Fe  Fe372  1  0.917434  0.889428  0.663228  1
  Fe  Fe373  1  0.344540  0.583365  0.693153  1
  Fe  Fe374  1  0.971526  0.631376  0.669076  1
  Fe  Fe375  1  0.598652  0.677152  0.644582  1
  Fe  Fe376  1  0.598652  0.177152  0.644582  1
  Fe  Fe377  1  0.344540  0.083365  0.693153  1
  Fe  Fe378  1  0.971526  0.131376  0.669076  1
  Fe  Fe379  1  0.436030  0.362523  0.672273  1
  Fe  Fe380  1  0.064692  0.409242  0.650163  1
  Fe  Fe381  1  0.816557  0.335059  0.701427  1
  Fe  Fe382  1  0.816557  0.835059  0.701427  1
  Fe  Fe383  1  0.436030  0.862523  0.672273  1
  Fe  Fe384  1  0.064692  0.909242  0.650163  1
  Fe  Fe385  1  0.161669  0.584424  0.647351  1
  Fe  Fe386  1  0.914218  0.499227  0.693280  1
  Fe  Fe387  1  0.536811  0.543868  0.669037  1
  Fe  Fe388  1  0.536811  0.043868  0.669037  1
  Fe  Fe389  1  0.161669  0.084424  0.647351  1
  Fe  Fe390  1  0.914218  0.999227  0.693280  1
  Fe  Fe391  1  0.204322  0.458711  0.671089  1
  Fe  Fe392  1  0.829129  0.503529  0.647352  1
  Fe  Fe393  1  0.572888  0.415093  0.694349  1
  Fe  Fe394  1  0.572888  0.915093  0.694349  1
  Fe  Fe395  1  0.204322  0.958711  0.671089  1
  Fe  Fe396  1  0.829129  0.003529  0.647352  1
  Fe  Fe397  1  0.332778  0.733527  0.660619  1
  Fe  Fe398  1  0.069223  0.647908  0.707849  1
  Fe  Fe399  1  0.710446  0.689778  0.685246  1
  Fe  Fe400  1  0.710446  0.189778  0.685246  1
  Fe  Fe401  1  0.332778  0.233527  0.660619  1
  Fe  Fe402  1  0.069223  0.147908  0.707849  1
  Fe  Fe403  1  0.440356  0.229279  0.701747  1
  Fe  Fe404  1  0.063556  0.271922  0.677776  1
  Fe  Fe405  1  0.689796  0.312711  0.658213  1
  Fe  Fe406  1  0.689796  0.812711  0.658213  1
  Fe  Fe407  1  0.440356  0.729279  0.701747  1
  Fe  Fe408  1  0.063556  0.771922  0.677776  1
  Fe  Fe409  1  0.356860  0.484471  0.658274  1
  Fe  Fe410  1  0.103517  0.395856  0.707171  1
  Fe  Fe411  1  0.728675  0.437796  0.685173  1
  Fe  Fe412  1  0.728675  0.937796  0.685173  1
  Fe  Fe413  1  0.356860  0.984471  0.658274  1
  Fe  Fe414  1  0.103517  0.895856  0.707171  1
  Fe  Fe415  1  0.439689  0.474365  0.705565  1
  Fe  Fe416  1  0.065235  0.517599  0.682939  1
  Fe  Fe417  1  0.686668  0.560998  0.659991  1
  Fe  Fe418  1  0.686668  0.060998  0.659991  1
  Fe  Fe419  1  0.439689  0.974365  0.705565  1
  Fe  Fe420  1  0.065235  0.017599  0.682939  1
  Fe  Fe421  1  0.181367  0.328213  0.647581  1
  Fe  Fe422  1  0.915832  0.248726  0.693903  1
  Fe  Fe423  1  0.551012  0.285482  0.668980  1
  Fe  Fe424  1  0.551012  0.785482  0.668980  1
  Fe  Fe425  1  0.181367  0.828213  0.647581  1
  Fe  Fe426  1  0.915832  0.748726  0.693903  1
  Fe  Fe427  1  0.195864  0.700593  0.679868  1
  Fe  Fe428  1  0.823287  0.748830  0.653913  1
  Fe  Fe429  1  0.569065  0.655865  0.702985  1
  Fe  Fe430  1  0.569065  0.155865  0.702985  1
  Fe  Fe431  1  0.195864  0.200593  0.679868  1
  Fe  Fe432  1  0.823287  0.248830  0.653913  1
  C  C433  1  0.860780  0.251528  0.332760  1
  C  C434  1  0.488106  0.298641  0.309483  1
  C  C435  1  0.108403  0.339429  0.289643  1
  C  C436  1  0.108403  0.839429  0.289643  1
  C  C437  1  0.860780  0.751528  0.332760  1
  C  C438  1  0.488106  0.798641  0.309483  1
  C  C439  1  0.777321  0.975528  0.349463  1
  C  C440  1  0.401192  0.020423  0.326121  1
  C  C441  1  0.028905  0.064382  0.303898  1
  C  C442  1  0.028905  0.564382  0.303898  1
  C  C443  1  0.777321  0.475528  0.349463  1
  C  C444  1  0.401192  0.520423  0.326121  1
  C  C445  1  0.662173  0.283080  0.315784  1
  C  C446  1  0.288297  0.327920  0.293034  1
  C  C447  1  0.035219  0.239401  0.338751  1
  C  C448  1  0.035219  0.739401  0.338751  1
  C  C449  1  0.662173  0.783080  0.315784  1
  C  C450  1  0.288297  0.827920  0.293034  1
  C  C451  1  0.578197  0.008015  0.332395  1
  C  C452  1  0.204230  0.051732  0.310046  1
  C  C453  1  0.951755  0.964598  0.355872  1
  C  C454  1  0.951755  0.464598  0.355872  1
  C  C455  1  0.578197  0.508015  0.332395  1
  C  C456  1  0.204230  0.551732  0.310046  1
  C  C457  1  0.982256  0.119090  0.404930  1
  C  C458  1  0.608305  0.163158  0.381345  1
  C  C459  1  0.232130  0.206100  0.358722  1
  C  C460  1  0.232130  0.706100  0.358722  1
  C  C461  1  0.982256  0.619090  0.404930  1
  C  C462  1  0.608305  0.663158  0.381345  1
  C  C463  1  0.895191  0.840256  0.421417  1
  C  C464  1  0.520777  0.884345  0.397395  1
  C  C465  1  0.147501  0.928630  0.375127  1
  C  C466  1  0.147501  0.428630  0.375127  1
  C  C467  1  0.895191  0.340256  0.421417  1
  C  C468  1  0.520777  0.384345  0.397395  1
  C  C469  1  0.786229  0.154172  0.386882  1
  C  C470  1  0.411302  0.196997  0.363425  1
  C  C471  1  0.157778  0.108447  0.411125  1
  C  C472  1  0.157778  0.608447  0.411125  1
  C  C473  1  0.786229  0.654172  0.386882  1
  C  C474  1  0.411302  0.696997  0.363425  1
  C  C475  1  0.698885  0.874541  0.403407  1
  C  C476  1  0.323920  0.917711  0.380288  1
  C  C477  1  0.070184  0.829030  0.427530  1
  C  C478  1  0.070184  0.329030  0.427530  1
  C  C479  1  0.698885  0.374541  0.403407  1
  C  C480  1  0.323920  0.417711  0.380288  1
  C  C481  1  0.101264  0.986691  0.476691  1
  C  C482  1  0.729022  0.031593  0.452259  1
  C  C483  1  0.354933  0.074933  0.428941  1
  C  C484  1  0.354933  0.574933  0.428941  1
  C  C485  1  0.101264  0.486691  0.476691  1
  C  C486  1  0.729022  0.531593  0.452259  1
  C  C487  1  0.012857  0.706608  0.493087  1
  C  C488  1  0.640361  0.751987  0.468909  1
  C  C489  1  0.267006  0.795365  0.445745  1
  C  C490  1  0.267006  0.295365  0.445745  1
  C  C491  1  0.012857  0.206608  0.493087  1
  C  C492  1  0.640361  0.251987  0.468909  1
  C  C493  1  0.905255  0.020749  0.458343  1
  C  C494  1  0.532202  0.064904  0.434456  1
  C  C495  1  0.277805  0.976400  0.482259  1
  C  C496  1  0.277805  0.476400  0.482259  1
  C  C497  1  0.905255  0.520749  0.458343  1
  C  C498  1  0.532202  0.564904  0.434456  1
  C  C499  1  0.816569  0.740715  0.475070  1
  C  C500  1  0.443611  0.784546  0.451168  1
  C  C501  1  0.188962  0.695884  0.498967  1
  C  C502  1  0.188962  0.195884  0.498967  1
  C  C503  1  0.816569  0.240715  0.475070  1
  C  C504  1  0.443611  0.284546  0.451168  1
  C  C505  1  0.220173  0.854923  0.547797  1
  C  C506  1  0.847215  0.898753  0.523895  1
  C  C507  1  0.474822  0.943584  0.499998  1
  C  C508  1  0.474822  0.443584  0.499998  1
  C  C509  1  0.220173  0.354923  0.547797  1
  C  C510  1  0.847215  0.398753  0.523895  1
  C  C511  1  0.131582  0.574564  0.564510  1
  C  C512  1  0.758529  0.618719  0.540622  1
  C  C513  1  0.385979  0.663068  0.516707  1
  C  C514  1  0.385979  0.163068  0.516707  1
  C  C515  1  0.131582  0.074564  0.564510  1
  C  C516  1  0.758529  0.118719  0.540622  1
  C  C517  1  0.023423  0.887482  0.530057  1
  C  C518  1  0.650927  0.932860  0.505878  1
  C  C519  1  0.396778  0.844104  0.553220  1
  C  C520  1  0.396778  0.344104  0.553220  1
  C  C521  1  0.023423  0.387482  0.530057  1
  C  C522  1  0.650927  0.432860  0.505878  1
  C  C523  1  0.934762  0.607875  0.546707  1
  C  C524  1  0.562520  0.652778  0.522274  1
  C  C525  1  0.308851  0.564535  0.570025  1
  C  C526  1  0.308851  0.064535  0.570025  1
  C  C527  1  0.934762  0.107875  0.546707  1
  C  C528  1  0.562520  0.152778  0.522274  1
  C  C529  1  0.339864  0.721757  0.618677  1
  C  C530  1  0.964899  0.764928  0.595558  1
  C  C531  1  0.593600  0.810439  0.571436  1
  C  C532  1  0.593600  0.310439  0.571436  1
  C  C533  1  0.339864  0.221757  0.618677  1
  C  C534  1  0.964899  0.264928  0.595558  1
  C  C535  1  0.252482  0.442472  0.635541  1
  C  C536  1  0.877555  0.485296  0.612083  1
  C  C537  1  0.506006  0.531021  0.587840  1
  C  C538  1  0.506006  0.031021  0.587840  1
  C  C539  1  0.252482  0.942472  0.635541  1
  C  C540  1  0.877555  0.985296  0.612083  1
  C  C541  1  0.143007  0.755123  0.601570  1
  C  C542  1  0.768593  0.799212  0.577548  1
  C  C543  1  0.516283  0.710838  0.623838  1
  C  C544  1  0.516283  0.210838  0.623838  1
  C  C545  1  0.143007  0.255123  0.601570  1
  C  C546  1  0.768593  0.299212  0.577548  1
  C  C547  1  0.055479  0.476310  0.617620  1
  C  C548  1  0.681528  0.520378  0.594035  1
  C  C549  1  0.431654  0.433368  0.640243  1
  C  C550  1  0.431654  0.933368  0.640243  1
  C  C551  1  0.055479  0.976310  0.617620  1
  C  C552  1  0.681528  0.020378  0.594035  1
  C  C553  1  0.459554  0.587736  0.688920  1
  C  C554  1  0.085587  0.631453  0.666571  1
  C  C555  1  0.712029  0.674871  0.643093  1
  C  C556  1  0.712029  0.174871  0.643093  1
  C  C557  1  0.459554  0.087736  0.688920  1
  C  C558  1  0.085587  0.131453  0.666571  1
  C  C559  1  0.375487  0.311548  0.705932  1
  C  C560  1  0.001611  0.356388  0.683181  1
  C  C561  1  0.628565  0.400068  0.660214  1
  C  C562  1  0.628565  0.900068  0.660214  1
  C  C563  1  0.375487  0.811548  0.705932  1
  C  C564  1  0.001611  0.856388  0.683181  1
  C  C565  1  0.262592  0.619045  0.672844  1
  C  C566  1  0.886463  0.663940  0.649502  1
  C  C567  1  0.634879  0.575087  0.695068  1
  C  C568  1  0.634879  0.075087  0.695068  1
  C  C569  1  0.262592  0.119045  0.672844  1
  C  C570  1  0.886463  0.163940  0.649502  1
  C  C571  1  0.175678  0.340827  0.689482  1
  C  C572  1  0.803004  0.387940  0.666206  1
  C  C573  1  0.555381  0.300040  0.709323  1
  C  C574  1  0.555381  0.800040  0.709323  1
  C  C575  1  0.175678  0.840827  0.689482  1
  C  C576  1  0.803004  0.887940  0.666206  1
