# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.07375201
_cell_length_b   15.98264279
_cell_length_c   46.80251872
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.83809142
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe432 C144'
_cell_volume   12135.3537012
_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  0.276635  0.330613  0.293831  1
  Fe  Fe2  1  0.534713  0.253452  0.343821  1
  Fe  Fe3  1  0.912546  0.275696  0.315524  1
  Fe  Fe4  1  0.276635  0.830613  0.293831  1
  Fe  Fe5  1  0.534713  0.753452  0.343821  1
  Fe  Fe6  1  0.912546  0.775696  0.315524  1
  Fe  Fe7  1  0.392319  0.026766  0.328271  1
  Fe  Fe8  1  0.757889  0.069859  0.303043  1
  Fe  Fe9  1  0.023524  0.981258  0.353105  1
  Fe  Fe10  1  0.392319  0.526766  0.328271  1
  Fe  Fe11  1  0.757889  0.569859  0.303043  1
  Fe  Fe12  1  0.023524  0.481258  0.353105  1
  Fe  Fe13  1  0.260537  0.260708  0.338943  1
  Fe  Fe14  1  0.630694  0.290824  0.312178  1
  Fe  Fe15  1  0.001535  0.337781  0.289026  1
  Fe  Fe16  1  0.260537  0.760708  0.338943  1
  Fe  Fe17  1  0.630694  0.790824  0.312178  1
  Fe  Fe18  1  0.001535  0.837781  0.289026  1
  Fe  Fe19  1  0.485207  0.077688  0.299344  1
  Fe  Fe20  1  0.747441  0.990280  0.348181  1
  Fe  Fe21  1  0.117801  0.031945  0.323061  1
  Fe  Fe22  1  0.485207  0.577688  0.299344  1
  Fe  Fe23  1  0.747441  0.490280  0.348181  1
  Fe  Fe24  1  0.117801  0.531945  0.323061  1
  Fe  Fe25  1  0.436572  0.251179  0.293373  1
  Fe  Fe26  1  0.703527  0.164469  0.341797  1
  Fe  Fe27  1  0.071990  0.203612  0.318245  1
  Fe  Fe28  1  0.436572  0.751179  0.293373  1
  Fe  Fe29  1  0.703527  0.664469  0.341797  1
  Fe  Fe30  1  0.071990  0.703612  0.318245  1
  Fe  Fe31  1  0.216476  0.110054  0.329358  1
  Fe  Fe32  1  0.587942  0.150823  0.307057  1
  Fe  Fe33  1  0.848530  0.067989  0.353743  1
  Fe  Fe34  1  0.216476  0.610054  0.329358  1
  Fe  Fe35  1  0.587942  0.650823  0.307057  1
  Fe  Fe36  1  0.848530  0.567989  0.353743  1
  Fe  Fe37  1  0.490556  0.429206  0.293202  1
  Fe  Fe38  1  0.761996  0.345869  0.340469  1
  Fe  Fe39  1  0.125717  0.388232  0.316141  1
  Fe  Fe40  1  0.490556  0.929206  0.293202  1
  Fe  Fe41  1  0.761996  0.845869  0.340469  1
  Fe  Fe42  1  0.125717  0.888232  0.316141  1
  Fe  Fe43  1  0.245887  0.911574  0.341283  1
  Fe  Fe44  1  0.614260  0.952128  0.317099  1
  Fe  Fe45  1  0.986584  0.986674  0.303651  1
  Fe  Fe46  1  0.245887  0.411574  0.341283  1
  Fe  Fe47  1  0.614260  0.452128  0.317099  1
  Fe  Fe48  1  0.986584  0.486674  0.303651  1
  Fe  Fe49  1  0.319148  0.157578  0.303825  1
  Fe  Fe50  1  0.585858  0.072441  0.350205  1
  Fe  Fe51  1  0.948255  0.114922  0.328451  1
  Fe  Fe52  1  0.319148  0.657578  0.303825  1
  Fe  Fe53  1  0.585858  0.572441  0.350205  1
  Fe  Fe54  1  0.948255  0.614922  0.328451  1
  Fe  Fe55  1  0.437728  0.175508  0.338281  1
  Fe  Fe56  1  0.800438  0.209617  0.314442  1
  Fe  Fe57  1  0.166862  0.256679  0.290288  1
  Fe  Fe58  1  0.437728  0.675508  0.338281  1
  Fe  Fe59  1  0.800438  0.709617  0.314442  1
  Fe  Fe60  1  0.166862  0.756679  0.290288  1
  Fe  Fe61  1  0.291783  0.981384  0.301679  1
  Fe  Fe62  1  0.534473  0.897549  0.349303  1
  Fe  Fe63  1  0.887926  0.935431  0.328935  1
  Fe  Fe64  1  0.291783  0.481384  0.301679  1
  Fe  Fe65  1  0.534473  0.397549  0.349303  1
  Fe  Fe66  1  0.887926  0.435431  0.328935  1
  Fe  Fe67  1  0.407224  0.374929  0.324592  1
  Fe  Fe68  1  0.773022  0.417400  0.298090  1
  Fe  Fe69  1  0.034276  0.335973  0.343984  1
  Fe  Fe70  1  0.407224  0.874929  0.324592  1
  Fe  Fe71  1  0.773022  0.917400  0.298090  1
  Fe  Fe72  1  0.034276  0.835973  0.343984  1
  Fe  Fe73  1  0.166716  0.209235  0.366602  1
  Fe  Fe74  1  0.429060  0.122358  0.414067  1
  Fe  Fe75  1  0.798338  0.166003  0.390348  1
  Fe  Fe76  1  0.166716  0.709235  0.366602  1
  Fe  Fe77  1  0.429060  0.622358  0.414067  1
  Fe  Fe78  1  0.798338  0.666003  0.390348  1
  Fe  Fe79  1  0.284575  0.897252  0.399183  1
  Fe  Fe80  1  0.655775  0.938172  0.375366  1
  Fe  Fe81  1  0.915143  0.853609  0.423413  1
  Fe  Fe82  1  0.284575  0.397252  0.399183  1
  Fe  Fe83  1  0.655775  0.438172  0.375366  1
  Fe  Fe84  1  0.915143  0.353609  0.423413  1
  Fe  Fe85  1  0.157294  0.129539  0.409801  1
  Fe  Fe86  1  0.526008  0.173032  0.386137  1
  Fe  Fe87  1  0.892895  0.217440  0.362658  1
  Fe  Fe88  1  0.157294  0.629539  0.409801  1
  Fe  Fe89  1  0.526008  0.673032  0.386137  1
  Fe  Fe90  1  0.892895  0.717440  0.362658  1
  Fe  Fe91  1  0.381821  0.948510  0.371418  1
  Fe  Fe92  1  0.642659  0.861535  0.419071  1
  Fe  Fe93  1  0.012019  0.904311  0.395103  1
  Fe  Fe94  1  0.381821  0.448510  0.371418  1
  Fe  Fe95  1  0.642659  0.361535  0.419071  1
  Fe  Fe96  1  0.012019  0.404311  0.395103  1
  Fe  Fe97  1  0.333543  0.126891  0.364339  1
  Fe  Fe98  1  0.598565  0.034372  0.413285  1
  Fe  Fe99  1  0.966231  0.078759  0.389132  1
  Fe  Fe100  1  0.333543  0.626891  0.364339  1
  Fe  Fe101  1  0.598565  0.534372  0.413285  1
  Fe  Fe102  1  0.966231  0.578759  0.389132  1
  Fe  Fe103  1  0.115873  0.983695  0.399608  1
  Fe  Fe104  1  0.485218  0.026760  0.375723  1
  Fe  Fe105  1  0.748338  0.941303  0.424163  1
  Fe  Fe106  1  0.115873  0.483695  0.399608  1
  Fe  Fe107  1  0.485218  0.526760  0.375723  1
  Fe  Fe108  1  0.748338  0.441303  0.424163  1
  Fe  Fe109  1  0.379813  0.303768  0.364261  1
  Fe  Fe110  1  0.655115  0.216311  0.410253  1
  Fe  Fe111  1  0.021312  0.259406  0.386750  1
  Fe  Fe112  1  0.379813  0.803768  0.364261  1
  Fe  Fe113  1  0.655115  0.716311  0.410253  1
  Fe  Fe114  1  0.021312  0.759406  0.386750  1
  Fe  Fe115  1  0.142280  0.777456  0.415966  1
  Fe  Fe116  1  0.510565  0.821752  0.392148  1
  Fe  Fe117  1  0.881855  0.861081  0.370595  1
  Fe  Fe118  1  0.142280  0.277456  0.415966  1
  Fe  Fe119  1  0.510565  0.321752  0.392148  1
  Fe  Fe120  1  0.881855  0.361081  0.370595  1
  Fe  Fe121  1  0.215490  0.030482  0.373481  1
  Fe  Fe122  1  0.475745  0.949008  0.419267  1
  Fe  Fe123  1  0.845135  0.990699  0.396803  1
  Fe  Fe124  1  0.215490  0.530482  0.373481  1
  Fe  Fe125  1  0.475745  0.449008  0.419267  1
  Fe  Fe126  1  0.845135  0.490699  0.396803  1
  Fe  Fe127  1  0.327967  0.044348  0.408937  1
  Fe  Fe128  1  0.694772  0.085774  0.385232  1
  Fe  Fe129  1  0.064912  0.129483  0.361483  1
  Fe  Fe130  1  0.327967  0.544348  0.408937  1
  Fe  Fe131  1  0.694772  0.585774  0.385232  1
  Fe  Fe132  1  0.064912  0.629483  0.361483  1
  Fe  Fe133  1  0.163390  0.853877  0.373832  1
  Fe  Fe134  1  0.423396  0.767640  0.421849  1
  Fe  Fe135  1  0.787315  0.810662  0.398683  1
  Fe  Fe136  1  0.163390  0.353877  0.373832  1
  Fe  Fe137  1  0.423396  0.267640  0.421849  1
  Fe  Fe138  1  0.787315  0.310662  0.398683  1
  Fe  Fe139  1  0.301337  0.247145  0.394779  1
  Fe  Fe140  1  0.665929  0.294397  0.366187  1
  Fe  Fe141  1  0.929902  0.207424  0.415402  1
  Fe  Fe142  1  0.301337  0.747145  0.394779  1
  Fe  Fe143  1  0.665929  0.794397  0.366187  1
  Fe  Fe144  1  0.929902  0.707424  0.415402  1
  Fe  Fe145  1  0.059911  0.078442  0.437263  1
  Fe  Fe146  1  0.320836  0.991460  0.484814  1
  Fe  Fe147  1  0.690430  0.035887  0.461053  1
  Fe  Fe148  1  0.059911  0.578442  0.437263  1
  Fe  Fe149  1  0.320836  0.491460  0.484814  1
  Fe  Fe150  1  0.690430  0.535887  0.461053  1
  Fe  Fe151  1  0.175534  0.767470  0.470607  1
  Fe  Fe152  1  0.545269  0.810862  0.446693  1
  Fe  Fe153  1  0.806011  0.723807  0.494546  1
  Fe  Fe154  1  0.175534  0.267470  0.470607  1
  Fe  Fe155  1  0.545269  0.310862  0.446693  1
  Fe  Fe156  1  0.806011  0.223807  0.494546  1
  Fe  Fe157  1  0.050166  0.998531  0.481058  1
  Fe  Fe158  1  0.419933  0.042116  0.457195  1
  Fe  Fe159  1  0.788870  0.085973  0.433514  1
  Fe  Fe160  1  0.050166  0.498531  0.481058  1
  Fe  Fe161  1  0.419933  0.542116  0.457195  1
  Fe  Fe162  1  0.788870  0.585973  0.433514  1
  Fe  Fe163  1  0.273573  0.818879  0.443039  1
  Fe  Fe164  1  0.535403  0.731119  0.490817  1
  Fe  Fe165  1  0.904620  0.774616  0.466920  1
  Fe  Fe166  1  0.273573  0.318879  0.443039  1
  Fe  Fe167  1  0.535403  0.231119  0.490817  1
  Fe  Fe168  1  0.904620  0.274616  0.466920  1
  Fe  Fe169  1  0.228240  0.992706  0.436738  1
  Fe  Fe170  1  0.490546  0.902647  0.485168  1
  Fe  Fe171  1  0.860064  0.946070  0.461374  1
  Fe  Fe172  1  0.228240  0.492706  0.436738  1
  Fe  Fe173  1  0.490546  0.402647  0.485168  1
  Fe  Fe174  1  0.860064  0.446070  0.461374  1
  Fe  Fe175  1  0.011549  0.854297  0.471140  1
  Fe  Fe176  1  0.380576  0.897297  0.447551  1
  Fe  Fe177  1  0.642565  0.810929  0.495011  1
  Fe  Fe178  1  0.011549  0.354297  0.471140  1
  Fe  Fe179  1  0.380576  0.397297  0.447551  1
  Fe  Fe180  1  0.642565  0.310929  0.495011  1
  Fe  Fe181  1  0.277867  0.173217  0.434838  1
  Fe  Fe182  1  0.544805  0.085638  0.481989  1
  Fe  Fe183  1  0.914689  0.129202  0.458166  1
  Fe  Fe184  1  0.277867  0.673217  0.434838  1
  Fe  Fe185  1  0.544805  0.585638  0.481989  1
  Fe  Fe186  1  0.914689  0.629202  0.458166  1
  Fe  Fe187  1  0.034285  0.645734  0.488453  1
  Fe  Fe188  1  0.403462  0.689709  0.464272  1
  Fe  Fe189  1  0.773769  0.732338  0.441451  1
  Fe  Fe190  1  0.034285  0.145734  0.488453  1
  Fe  Fe191  1  0.403462  0.189709  0.464272  1
  Fe  Fe192  1  0.773769  0.232338  0.441451  1
  Fe  Fe193  1  0.105058  0.905882  0.443077  1
  Fe  Fe194  1  0.366188  0.819095  0.490482  1
  Fe  Fe195  1  0.735169  0.863250  0.466695  1
  Fe  Fe196  1  0.105058  0.405882  0.443077  1
  Fe  Fe197  1  0.366188  0.319095  0.490482  1
  Fe  Fe198  1  0.735169  0.363250  0.466695  1
  Fe  Fe199  1  0.215066  0.912060  0.480424  1
  Fe  Fe200  1  0.584483  0.954791  0.456550  1
  Fe  Fe201  1  0.954560  0.998450  0.432691  1
  Fe  Fe202  1  0.215066  0.412060  0.480424  1
  Fe  Fe203  1  0.584483  0.454791  0.456550  1
  Fe  Fe204  1  0.954560  0.498450  0.432691  1
  Fe  Fe205  1  0.051829  0.723688  0.445794  1
  Fe  Fe206  1  0.313452  0.636826  0.493277  1
  Fe  Fe207  1  0.680491  0.680690  0.469855  1
  Fe  Fe208  1  0.051829  0.223688  0.445794  1
  Fe  Fe209  1  0.313452  0.136826  0.493277  1
  Fe  Fe210  1  0.680491  0.180690  0.469855  1
  Fe  Fe211  1  0.192680  0.118842  0.464177  1
  Fe  Fe212  1  0.561068  0.163623  0.439210  1
  Fe  Fe213  1  0.821975  0.076819  0.486657  1
  Fe  Fe214  1  0.192680  0.618842  0.464177  1
  Fe  Fe215  1  0.561068  0.663623  0.439210  1
  Fe  Fe216  1  0.821975  0.576819  0.486657  1
  Fe  Fe217  1  0.951236  0.947648  0.508495  1
  Fe  Fe218  1  0.213065  0.859888  0.556273  1
  Fe  Fe219  1  0.582019  0.904151  0.532392  1
  Fe  Fe220  1  0.951236  0.447648  0.508495  1
  Fe  Fe221  1  0.213065  0.359888  0.556273  1
  Fe  Fe222  1  0.582019  0.404151  0.532392  1
  Fe  Fe223  1  0.066705  0.636651  0.542117  1
  Fe  Fe224  1  0.436473  0.680236  0.518255  1
  Fe  Fe225  1  0.697769  0.592794  0.565798  1
  Fe  Fe226  1  0.066705  0.136651  0.542117  1
  Fe  Fe227  1  0.436473  0.180236  0.518255  1
  Fe  Fe228  1  0.697769  0.092794  0.565798  1
  Fe  Fe229  1  0.941369  0.867905  0.552619  1
  Fe  Fe230  1  0.311104  0.911297  0.528705  1
  Fe  Fe231  1  0.680628  0.954960  0.504766  1
  Fe  Fe232  1  0.941369  0.367905  0.552619  1
  Fe  Fe233  1  0.311104  0.411297  0.528705  1
  Fe  Fe234  1  0.680628  0.454960  0.504766  1
  Fe  Fe235  1  0.165803  0.687307  0.514499  1
  Fe  Fe236  1  0.426728  0.600325  0.562049  1
  Fe  Fe237  1  0.796208  0.642880  0.538259  1
  Fe  Fe238  1  0.165803  0.187307  0.514499  1
  Fe  Fe239  1  0.426728  0.100325  0.562049  1
  Fe  Fe240  1  0.796208  0.142880  0.538259  1
  Fe  Fe241  1  0.120450  0.859672  0.508830  1
  Fe  Fe242  1  0.381580  0.772885  0.556235  1
  Fe  Fe243  1  0.751469  0.815517  0.532617  1
  Fe  Fe244  1  0.120450  0.359672  0.508830  1
  Fe  Fe245  1  0.381580  0.272885  0.556235  1
  Fe  Fe246  1  0.751469  0.315517  0.532617  1
  Fe  Fe247  1  0.902156  0.723976  0.542763  1
  Fe  Fe248  1  0.271573  0.766707  0.518889  1
  Fe  Fe249  1  0.532078  0.680317  0.566621  1
  Fe  Fe250  1  0.902156  0.223976  0.542763  1
  Fe  Fe251  1  0.271573  0.266707  0.518889  1
  Fe  Fe252  1  0.532078  0.180317  0.566621  1
  Fe  Fe253  1  0.173186  0.041941  0.506036  1
  Fe  Fe254  1  0.434810  0.955079  0.553519  1
  Fe  Fe255  1  0.806147  0.998077  0.529457  1
  Fe  Fe256  1  0.173186  0.541941  0.506036  1
  Fe  Fe257  1  0.434810  0.455079  0.553519  1
  Fe  Fe258  1  0.806147  0.498077  0.529457  1
  Fe  Fe259  1  0.925570  0.515144  0.560102  1
  Fe  Fe260  1  0.293959  0.559925  0.535136  1
  Fe  Fe261  1  0.664664  0.601948  0.512656  1
  Fe  Fe262  1  0.925570  0.015144  0.560102  1
  Fe  Fe263  1  0.293959  0.059925  0.535136  1
  Fe  Fe264  1  0.664664  0.101948  0.512656  1
  Fe  Fe265  1  0.996092  0.776120  0.514144  1
  Fe  Fe266  1  0.258399  0.686061  0.562575  1
  Fe  Fe267  1  0.626574  0.732697  0.537939  1
  Fe  Fe268  1  0.996092  0.276120  0.514144  1
  Fe  Fe269  1  0.258399  0.186061  0.562575  1
  Fe  Fe270  1  0.626574  0.232697  0.537939  1
  Fe  Fe271  1  0.106063  0.781470  0.551761  1
  Fe  Fe272  1  0.475089  0.824470  0.528172  1
  Fe  Fe273  1  0.844074  0.867838  0.504301  1
  Fe  Fe274  1  0.106063  0.281470  0.551761  1
  Fe  Fe275  1  0.475089  0.324470  0.528172  1
  Fe  Fe276  1  0.844074  0.367838  0.504301  1
  Fe  Fe277  1  0.941833  0.593129  0.517323  1
  Fe  Fe278  1  0.208772  0.505550  0.564474  1
  Fe  Fe279  1  0.571949  0.549565  0.541146  1
  Fe  Fe280  1  0.941833  0.093129  0.517323  1
  Fe  Fe281  1  0.208772  0.005550  0.564474  1
  Fe  Fe282  1  0.571949  0.049565  0.541146  1
  Fe  Fe283  1  0.083176  0.989058  0.535040  1
  Fe  Fe284  1  0.452354  0.033033  0.510859  1
  Fe  Fe285  1  0.712870  0.946429  0.557861  1
  Fe  Fe286  1  0.083176  0.489058  0.535040  1
  Fe  Fe287  1  0.452354  0.533033  0.510859  1
  Fe  Fe288  1  0.712870  0.446429  0.557861  1
  Fe  Fe289  1  0.843979  0.817232  0.580241  1
  Fe  Fe290  1  0.104817  0.730257  0.627894  1
  Fe  Fe291  1  0.474619  0.774456  0.604209  1
  Fe  Fe292  1  0.843979  0.317232  0.580241  1
  Fe  Fe293  1  0.104817  0.230257  0.627894  1
  Fe  Fe294  1  0.474619  0.274456  0.604209  1
  Fe  Fe295  1  0.960630  0.505735  0.613176  1
  Fe  Fe296  1  0.329344  0.549228  0.589511  1
  Fe  Fe297  1  0.593743  0.461327  0.636654  1
  Fe  Fe298  1  0.960630  0.005735  0.613176  1
  Fe  Fe299  1  0.329344  0.049228  0.589511  1
  Fe  Fe300  1  0.593743  0.961327  0.636654  1
  Fe  Fe301  1  0.830864  0.740595  0.623947  1
  Fe  Fe302  1  0.202063  0.781515  0.600129  1
  Fe  Fe303  1  0.571495  0.825158  0.575900  1
  Fe  Fe304  1  0.830864  0.240595  0.623947  1
  Fe  Fe305  1  0.202063  0.281515  0.600129  1
  Fe  Fe306  1  0.571495  0.325158  0.575900  1
  Fe  Fe307  1  0.057578  0.556409  0.585245  1
  Fe  Fe308  1  0.319922  0.469532  0.632710  1
  Fe  Fe309  1  0.688300  0.512764  0.608965  1
  Fe  Fe310  1  0.057578  0.056409  0.585245  1
  Fe  Fe311  1  0.319922  0.969532  0.632710  1
  Fe  Fe312  1  0.688300  0.012764  0.608965  1
  Fe  Fe313  1  0.010894  0.729759  0.580045  1
  Fe  Fe314  1  0.271149  0.648285  0.625831  1
  Fe  Fe315  1  0.641503  0.688068  0.602509  1
  Fe  Fe316  1  0.010894  0.229759  0.580045  1
  Fe  Fe317  1  0.271149  0.148285  0.625831  1
  Fe  Fe318  1  0.641503  0.188068  0.602509  1
  Fe  Fe319  1  0.791866  0.592993  0.614081  1
  Fe  Fe320  1  0.158672  0.634419  0.590376  1
  Fe  Fe321  1  0.421727  0.549284  0.637829  1
  Fe  Fe322  1  0.791866  0.092993  0.614081  1
  Fe  Fe323  1  0.158672  0.134419  0.590376  1
  Fe  Fe324  1  0.421727  0.049284  0.637829  1
  Fe  Fe325  1  0.063243  0.911127  0.577463  1
  Fe  Fe326  1  0.323248  0.824890  0.625481  1
  Fe  Fe327  1  0.699323  0.868105  0.600629  1
  Fe  Fe328  1  0.063243  0.411127  0.577463  1
  Fe  Fe329  1  0.323248  0.324890  0.625481  1
  Fe  Fe330  1  0.699323  0.368105  0.600629  1
  Fe  Fe331  1  0.820709  0.384370  0.633125  1
  Fe  Fe332  1  0.185301  0.431622  0.604533  1
  Fe  Fe333  1  0.556736  0.471343  0.583910  1
  Fe  Fe334  1  0.820709  0.884370  0.633125  1
  Fe  Fe335  1  0.185301  0.931622  0.604533  1
  Fe  Fe336  1  0.556736  0.971343  0.583910  1
  Fe  Fe337  1  0.888074  0.644395  0.586027  1
  Fe  Fe338  1  0.153096  0.551876  0.634973  1
  Fe  Fe339  1  0.520408  0.600008  0.610180  1
  Fe  Fe340  1  0.888074  0.144395  0.586027  1
  Fe  Fe341  1  0.153096  0.051876  0.634973  1
  Fe  Fe342  1  0.520408  0.100008  0.610180  1
  Fe  Fe343  1  0.001420  0.652007  0.623590  1
  Fe  Fe344  1  0.370765  0.695072  0.599705  1
  Fe  Fe345  1  0.738300  0.737464  0.575149  1
  Fe  Fe346  1  0.001420  0.152007  0.623590  1
  Fe  Fe347  1  0.370765  0.195072  0.599705  1
  Fe  Fe348  1  0.738300  0.237464  0.575149  1
  Fe  Fe349  1  0.831524  0.462456  0.589059  1
  Fe  Fe350  1  0.106825  0.374999  0.635052  1
  Fe  Fe351  1  0.465326  0.419361  0.612562  1
  Fe  Fe352  1  0.831524  0.962456  0.589059  1
  Fe  Fe353  1  0.106825  0.874999  0.635052  1
  Fe  Fe354  1  0.465326  0.919361  0.612562  1
  Fe  Fe355  1  0.976074  0.857015  0.607164  1
  Fe  Fe356  1  0.344359  0.901311  0.583346  1
  Fe  Fe357  1  0.604784  0.817686  0.628717  1
  Fe  Fe358  1  0.976074  0.357015  0.607164  1
  Fe  Fe359  1  0.344359  0.401311  0.583346  1
  Fe  Fe360  1  0.604784  0.317686  0.628717  1
  Fe  Fe361  1  0.739197  0.688487  0.651132  1
  Fe  Fe362  1  0.001431  0.601079  0.699968  1
  Fe  Fe363  1  0.368837  0.646822  0.676251  1
  Fe  Fe364  1  0.739197  0.188487  0.651132  1
  Fe  Fe365  1  0.001431  0.101079  0.699968  1
  Fe  Fe366  1  0.368837  0.146822  0.676251  1
  Fe  Fe367  1  0.855944  0.387943  0.687134  1
  Fe  Fe368  1  0.226101  0.418059  0.660369  1
  Fe  Fe369  1  0.485103  0.340986  0.710286  1
  Fe  Fe370  1  0.855944  0.887943  0.687134  1
  Fe  Fe371  1  0.226101  0.918059  0.660369  1
  Fe  Fe372  1  0.485103  0.840986  0.710286  1
  Fe  Fe373  1  0.728749  0.608908  0.696269  1
  Fe  Fe374  1  0.094320  0.652001  0.671041  1
  Fe  Fe375  1  0.463115  0.697509  0.646207  1
  Fe  Fe376  1  0.728749  0.108908  0.696269  1
  Fe  Fe377  1  0.094320  0.152001  0.671041  1
  Fe  Fe378  1  0.463115  0.197509  0.646207  1
  Fe  Fe379  1  0.951926  0.425315  0.655491  1
  Fe  Fe380  1  0.210003  0.348154  0.705481  1
  Fe  Fe381  1  0.574092  0.403071  0.683788  1
  Fe  Fe382  1  0.951926  0.925315  0.655491  1
  Fe  Fe383  1  0.210003  0.848154  0.705481  1
  Fe  Fe384  1  0.574092  0.903071  0.683788  1
  Fe  Fe385  1  0.900781  0.606326  0.649107  1
  Fe  Fe386  1  0.167490  0.521189  0.695487  1
  Fe  Fe387  1  0.538383  0.563845  0.670861  1
  Fe  Fe388  1  0.900781  0.106326  0.649107  1
  Fe  Fe389  1  0.167490  0.021189  0.695487  1
  Fe  Fe390  1  0.538383  0.063845  0.670861  1
  Fe  Fe391  1  0.686200  0.469150  0.684870  1
  Fe  Fe392  1  0.048910  0.503259  0.661032  1
  Fe  Fe393  1  0.319777  0.422088  0.709024  1
  Fe  Fe394  1  0.686200  0.969150  0.684870  1
  Fe  Fe395  1  0.048910  0.003259  0.661032  1
  Fe  Fe396  1  0.319777  0.922088  0.709024  1
  Fe  Fe397  1  0.952165  0.781218  0.650009  1
  Fe  Fe398  1  0.194855  0.697383  0.697633  1
  Fe  Fe399  1  0.598712  0.743336  0.670377  1
  Fe  Fe400  1  0.952165  0.281218  0.650009  1
  Fe  Fe401  1  0.194855  0.197383  0.697633  1
  Fe  Fe402  1  0.598712  0.243336  0.670377  1
  Fe  Fe403  1  0.713617  0.261367  0.701222  1
  Fe  Fe404  1  0.079415  0.303838  0.674721  1
  Fe  Fe405  1  0.452363  0.342794  0.655328  1
  Fe  Fe406  1  0.713617  0.761367  0.701222  1
  Fe  Fe407  1  0.079415  0.803838  0.674721  1
  Fe  Fe408  1  0.452363  0.842794  0.655328  1
  Fe  Fe409  1  0.783111  0.514298  0.657515  1
  Fe  Fe410  1  0.050066  0.427588  0.705939  1
  Fe  Fe411  1  0.414648  0.475155  0.681067  1
  Fe  Fe412  1  0.783111  0.014298  0.657515  1
  Fe  Fe413  1  0.050066  0.927588  0.705939  1
  Fe  Fe414  1  0.414648  0.975155  0.681067  1
  Fe  Fe415  1  0.898696  0.527944  0.692256  1
  Fe  Fe416  1  0.270162  0.568713  0.669954  1
  Fe  Fe417  1  0.638109  0.610778  0.645570  1
  Fe  Fe418  1  0.898696  0.027944  0.692256  1
  Fe  Fe419  1  0.270162  0.068713  0.669954  1
  Fe  Fe420  1  0.638109  0.110778  0.645570  1
  Fe  Fe421  1  0.724643  0.332898  0.658843  1
  Fe  Fe422  1  0.996083  0.249561  0.706111  1
  Fe  Fe423  1  0.360921  0.290535  0.683172  1
  Fe  Fe424  1  0.724643  0.832898  0.658843  1
  Fe  Fe425  1  0.996083  0.749561  0.706111  1
  Fe  Fe426  1  0.360921  0.790535  0.683172  1
  Fe  Fe427  1  0.872378  0.726639  0.682214  1
  Fe  Fe428  1  0.240751  0.767193  0.658029  1
  Fe  Fe429  1  0.500054  0.692093  0.695661  1
  Fe  Fe430  1  0.872378  0.226639  0.682214  1
  Fe  Fe431  1  0.240751  0.267193  0.658029  1
  Fe  Fe432  1  0.500054  0.192093  0.695661  1
  C  C433  1  0.356098  0.283501  0.323457  1
  C  C434  1  0.727406  0.322539  0.303048  1
  C  C435  1  0.987925  0.241052  0.347016  1
  C  C436  1  0.356098  0.783501  0.323457  1
  C  C437  1  0.727406  0.822539  0.303048  1
  C  C438  1  0.987925  0.741052  0.347016  1
  C  C439  1  0.240125  0.100334  0.289097  1
  C  C440  1  0.505809  0.016327  0.335265  1
  C  C441  1  0.870901  0.051281  0.313524  1
  C  C442  1  0.240125  0.600334  0.289097  1
  C  C443  1  0.505809  0.516327  0.335265  1
  C  C444  1  0.870901  0.551281  0.313524  1
  C  C445  1  0.514536  0.310992  0.307301  1
  C  C446  1  0.779724  0.228592  0.354670  1
  C  C447  1  0.147748  0.270721  0.330727  1
  C  C448  1  0.514536  0.810992  0.307301  1
  C  C449  1  0.779724  0.728592  0.354670  1
  C  C450  1  0.147748  0.770721  0.330727  1
  C  C451  1  0.297711  0.002202  0.343883  1
  C  C452  1  0.666071  0.042708  0.319957  1
  C  C453  1  0.027095  0.084948  0.297827  1
  C  C454  1  0.297711  0.502202  0.343883  1
  C  C455  1  0.666071  0.542708  0.319957  1
  C  C456  1  0.027095  0.584948  0.297827  1
  C  C457  1  0.251221  0.154893  0.393916  1
  C  C458  1  0.620019  0.199591  0.370823  1
  C  C459  1  0.882257  0.113419  0.418043  1
  C  C460  1  0.251221  0.654893  0.393916  1
  C  C461  1  0.620019  0.699591  0.370823  1
  C  C462  1  0.882257  0.613419  0.418043  1
  C  C463  1  0.137020  0.971825  0.359204  1
  C  C464  1  0.398016  0.885220  0.406975  1
  C  C465  1  0.768658  0.927360  0.383770  1
  C  C466  1  0.137020  0.471825  0.359204  1
  C  C467  1  0.398016  0.385220  0.406975  1
  C  C468  1  0.768658  0.427360  0.383770  1
  C  C469  1  0.412520  0.184989  0.378414  1
  C  C470  1  0.675043  0.099987  0.425657  1
  C  C471  1  0.043744  0.142422  0.401849  1
  C  C472  1  0.412520  0.684989  0.378414  1
  C  C473  1  0.675043  0.599987  0.425657  1
  C  C474  1  0.043744  0.642422  0.401849  1
  C  C475  1  0.190915  0.870901  0.414849  1
  C  C476  1  0.560694  0.913965  0.390709  1
  C  C477  1  0.927732  0.956351  0.367437  1
  C  C478  1  0.190915  0.370901  0.414849  1
  C  C479  1  0.560694  0.413965  0.390709  1
  C  C480  1  0.927732  0.456351  0.367437  1
  C  C481  1  0.143045  0.026216  0.465256  1
  C  C482  1  0.513172  0.069782  0.441680  1
  C  C483  1  0.773211  0.983677  0.489170  1
  C  C484  1  0.143045  0.526216  0.465256  1
  C  C485  1  0.513172  0.569782  0.441680  1
  C  C486  1  0.773211  0.483677  0.489170  1
  C  C487  1  0.029086  0.840609  0.430596  1
  C  C488  1  0.289285  0.754193  0.478329  1
  C  C489  1  0.659095  0.797167  0.454429  1
  C  C490  1  0.029086  0.340609  0.430596  1
  C  C491  1  0.289285  0.254193  0.478329  1
  C  C492  1  0.659095  0.297167  0.454429  1
  C  C493  1  0.306335  0.054982  0.449323  1
  C  C494  1  0.566776  0.968689  0.497080  1
  C  C495  1  0.936405  0.012224  0.473202  1
  C  C496  1  0.306335  0.554982  0.449323  1
  C  C497  1  0.566776  0.468689  0.497080  1
  C  C498  1  0.936405  0.512224  0.473202  1
  C  C499  1  0.082980  0.739002  0.486345  1
  C  C500  1  0.452802  0.782518  0.462563  1
  C  C501  1  0.821687  0.826109  0.438770  1
  C  C502  1  0.082980  0.239002  0.486345  1
  C  C503  1  0.452802  0.282518  0.462563  1
  C  C504  1  0.821687  0.326109  0.438770  1
  C  C505  1  0.033836  0.896249  0.536749  1
  C  C506  1  0.403658  0.939765  0.512968  1
  C  C507  1  0.664951  0.852658  0.560542  1
  C  C508  1  0.033836  0.396249  0.536749  1
  C  C509  1  0.403658  0.439765  0.512968  1
  C  C510  1  0.664951  0.352658  0.560542  1
  C  C511  1  0.919862  0.710078  0.502233  1
  C  C512  1  0.180303  0.623785  0.549990  1
  C  C513  1  0.550234  0.666543  0.526110  1
  C  C514  1  0.919862  0.210078  0.502233  1
  C  C515  1  0.180303  0.123785  0.549990  1
  C  C516  1  0.550234  0.166543  0.526110  1
  C  C517  1  0.197354  0.924574  0.520983  1
  C  C518  1  0.457553  0.838158  0.568716  1
  C  C519  1  0.827543  0.881600  0.544884  1
  C  C520  1  0.197354  0.424574  0.520983  1
  C  C521  1  0.457553  0.338158  0.568716  1
  C  C522  1  0.827543  0.381600  0.544884  1
  C  C523  1  0.973466  0.608985  0.557632  1
  C  C524  1  0.343593  0.652551  0.534057  1
  C  C525  1  0.713427  0.695090  0.510142  1
  C  C526  1  0.973466  0.108985  0.557632  1
  C  C527  1  0.343593  0.152551  0.534057  1
  C  C528  1  0.713427  0.195090  0.510142  1
  C  C529  1  0.925944  0.764802  0.608603  1
  C  C530  1  0.295724  0.807866  0.584463  1
  C  C531  1  0.558907  0.722416  0.631875  1
  C  C532  1  0.925944  0.264802  0.608603  1
  C  C533  1  0.295724  0.307866  0.584463  1
  C  C534  1  0.558907  0.222416  0.631875  1
  C  C535  1  0.811596  0.578780  0.573656  1
  C  C536  1  0.074118  0.493778  0.620899  1
  C  C537  1  0.442895  0.536345  0.597463  1
  C  C538  1  0.811596  0.078780  0.573656  1
  C  C539  1  0.074118  0.993778  0.620899  1
  C  C540  1  0.442895  0.036345  0.597463  1
  C  C541  1  0.088622  0.793547  0.592337  1
  C  C542  1  0.349619  0.706942  0.640109  1
  C  C543  1  0.717981  0.751407  0.615542  1
  C  C544  1  0.088622  0.293547  0.592337  1
  C  C545  1  0.349619  0.206942  0.640109  1
  C  C546  1  0.717981  0.251407  0.615542  1
  C  C547  1  0.866620  0.479176  0.628489  1
  C  C548  1  0.235417  0.523874  0.605396  1
  C  C549  1  0.604381  0.565348  0.581269  1
  C  C550  1  0.866620  0.979176  0.628489  1
  C  C551  1  0.235417  0.023874  0.605396  1
  C  C552  1  0.604381  0.065348  0.581269  1
  C  C553  1  0.820567  0.636059  0.679355  1
  C  C554  1  0.188928  0.676565  0.655429  1
  C  C555  1  0.459543  0.593819  0.701485  1
  C  C556  1  0.820567  0.136059  0.679355  1
  C  C557  1  0.188928  0.176565  0.655429  1
  C  C558  1  0.459543  0.093819  0.701485  1
  C  C559  1  0.706914  0.450175  0.644642  1
  C  C560  1  0.972103  0.367775  0.692012  1
  C  C561  1  0.338890  0.408046  0.668585  1
  C  C562  1  0.706914  0.950175  0.644642  1
  C  C563  1  0.972103  0.867775  0.692012  1
  C  C564  1  0.338890  0.908046  0.668585  1
  C  C565  1  0.980830  0.662440  0.664047  1
  C  C566  1  0.246513  0.578433  0.710215  1
  C  C567  1  0.615738  0.627486  0.685788  1
  C  C568  1  0.980830  0.162440  0.664047  1
  C  C569  1  0.246513  0.078433  0.710215  1
  C  C570  1  0.615738  0.127486  0.685788  1
  C  C571  1  0.759232  0.356228  0.696265  1
  C  C572  1  0.130541  0.395266  0.675855  1
  C  C573  1  0.498714  0.437715  0.652297  1
  C  C574  1  0.759232  0.856228  0.696265  1
  C  C575  1  0.130541  0.895266  0.675855  1
  C  C576  1  0.498714  0.937715  0.652297  1
