# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.76205191
_cell_length_b   13.94525449
_cell_length_c   52.25956551
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.21313680
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe504 C216'
_cell_volume   12890.9590567
_cell_formula_units_Z   72
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  0.339968  0.951802  0.313904  1
  Fe  Fe2  1  0.377802  0.466448  0.387234  1
  Fe  Fe3  1  0.360260  0.204167  0.349386  1
  Fe  Fe4  1  0.673301  0.618468  0.313904  1
  Fe  Fe5  1  0.711135  0.133115  0.387234  1
  Fe  Fe6  1  0.006634  0.285135  0.313904  1
  Fe  Fe7  1  0.693593  0.870833  0.349386  1
  Fe  Fe8  1  0.044469  0.799781  0.387234  1
  Fe  Fe9  1  0.026926  0.537500  0.349386  1
  Fe  Fe10  1  0.223362  0.652383  0.377316  1
  Fe  Fe11  1  0.207212  0.392095  0.339816  1
  Fe  Fe12  1  0.187912  0.140011  0.304109  1
  Fe  Fe13  1  0.556695  0.319049  0.377316  1
  Fe  Fe14  1  0.540546  0.058762  0.339816  1
  Fe  Fe15  1  0.890028  0.985716  0.377316  1
  Fe  Fe16  1  0.521245  0.806677  0.304109  1
  Fe  Fe17  1  0.873879  0.725428  0.339816  1
  Fe  Fe18  1  0.854579  0.473344  0.304109  1
  Fe  Fe19  1  0.236318  0.716786  0.311972  1
  Fe  Fe20  1  0.274116  0.231644  0.385438  1
  Fe  Fe21  1  0.252640  0.973953  0.348615  1
  Fe  Fe22  1  0.569652  0.383452  0.311972  1
  Fe  Fe23  1  0.607450  0.898311  0.385438  1
  Fe  Fe24  1  0.902985  0.050119  0.311972  1
  Fe  Fe25  1  0.585973  0.640619  0.348615  1
  Fe  Fe26  1  0.940783  0.564977  0.385438  1
  Fe  Fe27  1  0.919306  0.307286  0.348615  1
  Fe  Fe28  1  0.215852  0.798941  0.352563  1
  Fe  Fe29  1  0.199629  0.538473  0.315427  1
  Fe  Fe30  1  0.174054  0.279471  0.277641  1
  Fe  Fe31  1  0.549185  0.465608  0.352563  1
  Fe  Fe32  1  0.532962  0.205140  0.315427  1
  Fe  Fe33  1  0.882519  0.132274  0.352563  1
  Fe  Fe34  1  0.507387  0.946138  0.277641  1
  Fe  Fe35  1  0.866295  0.871807  0.315427  1
  Fe  Fe36  1  0.840721  0.612804  0.277641  1
  Fe  Fe37  1  0.196987  0.883119  0.312297  1
  Fe  Fe38  1  0.233496  0.397262  0.385546  1
  Fe  Fe39  1  0.213089  0.136826  0.349987  1
  Fe  Fe40  1  0.530320  0.549786  0.312297  1
  Fe  Fe41  1  0.566829  0.063929  0.385546  1
  Fe  Fe42  1  0.863653  0.216453  0.312297  1
  Fe  Fe43  1  0.546422  0.803493  0.349987  1
  Fe  Fe44  1  0.900162  0.730595  0.385546  1
  Fe  Fe45  1  0.879756  0.470159  0.349987  1
  Fe  Fe46  1  0.480078  0.585654  0.375410  1
  Fe  Fe47  1  0.461373  0.325702  0.338539  1
  Fe  Fe48  1  0.442212  0.069714  0.299752  1
  Fe  Fe49  1  0.813411  0.252321  0.375410  1
  Fe  Fe50  1  0.794706  0.992369  0.338539  1
  Fe  Fe51  1  0.146744  0.918987  0.375410  1
  Fe  Fe52  1  0.775545  0.736381  0.299752  1
  Fe  Fe53  1  0.128040  0.659036  0.338539  1
  Fe  Fe54  1  0.108878  0.403047  0.299752  1
  Fe  Fe55  1  0.460484  0.667767  0.335370  1
  Fe  Fe56  1  0.438225  0.410423  0.296712  1
  Fe  Fe57  1  0.480424  0.924051  0.372433  1
  Fe  Fe58  1  0.793817  0.334433  0.335370  1
  Fe  Fe59  1  0.771559  0.077089  0.296712  1
  Fe  Fe60  1  0.127150  0.001100  0.335370  1
  Fe  Fe61  1  0.813758  0.590718  0.372433  1
  Fe  Fe62  1  0.104892  0.743756  0.296712  1
  Fe  Fe63  1  0.147091  0.257384  0.372433  1
  Fe  Fe64  1  0.439545  0.751130  0.376182  1
  Fe  Fe65  1  0.419462  0.492026  0.338904  1
  Fe  Fe66  1  0.408682  0.233813  0.301555  1
  Fe  Fe67  1  0.772878  0.417797  0.376182  1
  Fe  Fe68  1  0.752796  0.158693  0.338904  1
  Fe  Fe69  1  0.106212  0.084463  0.376182  1
  Fe  Fe70  1  0.742015  0.900480  0.301555  1
  Fe  Fe71  1  0.086129  0.825359  0.338904  1
  Fe  Fe72  1  0.075348  0.567147  0.301555  1
  Fe  Fe73  1  0.359644  0.873705  0.351497  1
  Fe  Fe74  1  0.339850  0.612134  0.313940  1
  Fe  Fe75  1  0.378851  0.129665  0.387881  1
  Fe  Fe76  1  0.692977  0.540372  0.351497  1
  Fe  Fe77  1  0.673183  0.278801  0.313940  1
  Fe  Fe78  1  0.026311  0.207038  0.351497  1
  Fe  Fe79  1  0.712185  0.796332  0.387881  1
  Fe  Fe80  1  0.006517  0.945468  0.313940  1
  Fe  Fe81  1  0.045518  0.462999  0.387881  1
  Fe  Fe82  1  0.324019  0.703214  0.352232  1
  Fe  Fe83  1  0.307831  0.438483  0.309947  1
  Fe  Fe84  1  0.295666  0.198466  0.276970  1
  Fe  Fe85  1  0.657352  0.369880  0.352232  1
  Fe  Fe86  1  0.641164  0.105150  0.309947  1
  Fe  Fe87  1  0.990685  0.036547  0.352232  1
  Fe  Fe88  1  0.628999  0.865133  0.276970  1
  Fe  Fe89  1  0.974498  0.771817  0.309947  1
  Fe  Fe90  1  0.962333  0.531799  0.276970  1
  Fe  Fe91  1  0.283449  0.859632  0.279363  1
  Fe  Fe92  1  0.325698  0.366401  0.352155  1
  Fe  Fe93  1  0.306374  0.112923  0.316520  1
  Fe  Fe94  1  0.616783  0.526299  0.279363  1
  Fe  Fe95  1  0.659032  0.033068  0.352155  1
  Fe  Fe96  1  0.950116  0.192966  0.279363  1
  Fe  Fe97  1  0.639708  0.779590  0.316520  1
  Fe  Fe98  1  0.992365  0.699734  0.352155  1
  Fe  Fe99  1  0.973041  0.446256  0.316520  1
  Fe  Fe100  1  0.458748  0.924510  0.326490  1
  Fe  Fe101  1  0.439639  0.667553  0.289092  1
  Fe  Fe102  1  0.479342  0.179911  0.362371  1
  Fe  Fe103  1  0.792082  0.591177  0.326490  1
  Fe  Fe104  1  0.772972  0.334220  0.289092  1
  Fe  Fe105  1  0.125415  0.257843  0.326490  1
  Fe  Fe106  1  0.812675  0.846578  0.362371  1
  Fe  Fe107  1  0.106306  0.000886  0.289092  1
  Fe  Fe108  1  0.146009  0.513245  0.362371  1
  Fe  Fe109  1  0.247012  0.020521  0.280520  1
  Fe  Fe110  1  0.288331  0.532219  0.354676  1
  Fe  Fe111  1  0.270010  0.273240  0.317544  1
  Fe  Fe112  1  0.580345  0.687188  0.280520  1
  Fe  Fe113  1  0.621664  0.198885  0.354676  1
  Fe  Fe114  1  0.913679  0.353854  0.280520  1
  Fe  Fe115  1  0.603343  0.939906  0.317544  1
  Fe  Fe116  1  0.954998  0.865552  0.354676  1
  Fe  Fe117  1  0.936677  0.606573  0.317544  1
  Fe  Fe118  1  0.375832  0.783056  0.312187  1
  Fe  Fe119  1  0.414598  0.303386  0.385580  1
  Fe  Fe120  1  0.395560  0.043968  0.348615  1
  Fe  Fe121  1  0.709165  0.449723  0.312187  1
  Fe  Fe122  1  0.747931  0.970053  0.385580  1
  Fe  Fe123  1  0.042499  0.116390  0.312187  1
  Fe  Fe124  1  0.728894  0.710635  0.348615  1
  Fe  Fe125  1  0.081265  0.636720  0.385580  1
  Fe  Fe126  1  0.062227  0.377302  0.348615  1
  Fe  Fe127  1  0.395946  0.724176  0.424346  1
  Fe  Fe128  1  0.433153  0.241281  0.498333  1
  Fe  Fe129  1  0.414556  0.982408  0.461193  1
  Fe  Fe130  1  0.729280  0.390843  0.424346  1
  Fe  Fe131  1  0.766486  0.907948  0.498333  1
  Fe  Fe132  1  0.062613  0.057510  0.424346  1
  Fe  Fe133  1  0.747890  0.649075  0.461193  1
  Fe  Fe134  1  0.099820  0.574614  0.498333  1
  Fe  Fe135  1  0.081223  0.315741  0.461193  1
  Fe  Fe136  1  0.278926  0.427288  0.488251  1
  Fe  Fe137  1  0.260755  0.169149  0.451324  1
  Fe  Fe138  1  0.242042  0.910776  0.414454  1
  Fe  Fe139  1  0.612260  0.093955  0.488251  1
  Fe  Fe140  1  0.594089  0.835816  0.451324  1
  Fe  Fe141  1  0.945593  0.760622  0.488251  1
  Fe  Fe142  1  0.575375  0.577442  0.414454  1
  Fe  Fe143  1  0.927422  0.502483  0.451324  1
  Fe  Fe144  1  0.908708  0.244109  0.414454  1
  Fe  Fe145  1  0.290960  0.490463  0.422433  1
  Fe  Fe146  1  0.328415  0.007340  0.496549  1
  Fe  Fe147  1  0.309676  0.748806  0.459561  1
  Fe  Fe148  1  0.624294  0.157129  0.422433  1
  Fe  Fe149  1  0.661748  0.674007  0.496549  1
  Fe  Fe150  1  0.957627  0.823796  0.422433  1
  Fe  Fe151  1  0.643010  0.415473  0.459561  1
  Fe  Fe152  1  0.995081  0.340674  0.496549  1
  Fe  Fe153  1  0.976343  0.082140  0.459561  1
  Fe  Fe154  1  0.271531  0.574206  0.463490  1
  Fe  Fe155  1  0.252956  0.316064  0.426177  1
  Fe  Fe156  1  0.234092  0.057254  0.389510  1
  Fe  Fe157  1  0.604864  0.240873  0.463490  1
  Fe  Fe158  1  0.586290  0.982731  0.426177  1
  Fe  Fe159  1  0.938197  0.907540  0.463490  1
  Fe  Fe160  1  0.567426  0.723920  0.389510  1
  Fe  Fe161  1  0.919623  0.649398  0.426177  1
  Fe  Fe162  1  0.900759  0.390587  0.389510  1
  Fe  Fe163  1  0.251265  0.655486  0.423101  1
  Fe  Fe164  1  0.288302  0.172424  0.497165  1
  Fe  Fe165  1  0.269753  0.913985  0.460214  1
  Fe  Fe166  1  0.584599  0.322152  0.423101  1
  Fe  Fe167  1  0.621635  0.839090  0.497165  1
  Fe  Fe168  1  0.917932  0.988819  0.423101  1
  Fe  Fe169  1  0.603087  0.580651  0.460214  1
  Fe  Fe170  1  0.954968  0.505757  0.497165  1
  Fe  Fe171  1  0.936420  0.247318  0.460214  1
  Fe  Fe172  1  0.535692  0.361339  0.486362  1
  Fe  Fe173  1  0.517315  0.102947  0.449397  1
  Fe  Fe174  1  0.499276  0.843889  0.412455  1
  Fe  Fe175  1  0.869026  0.028006  0.486362  1
  Fe  Fe176  1  0.850648  0.769614  0.449397  1
  Fe  Fe177  1  0.202359  0.694672  0.486362  1
  Fe  Fe178  1  0.832610  0.510556  0.412455  1
  Fe  Fe179  1  0.183982  0.436280  0.449397  1
  Fe  Fe180  1  0.165943  0.177222  0.412455  1
  Fe  Fe181  1  0.515349  0.442623  0.446039  1
  Fe  Fe182  1  0.496816  0.183837  0.408807  1
  Fe  Fe183  1  0.534249  0.700890  0.483170  1
  Fe  Fe184  1  0.848682  0.109289  0.446039  1
  Fe  Fe185  1  0.830150  0.850503  0.408807  1
  Fe  Fe186  1  0.182015  0.775956  0.446039  1
  Fe  Fe187  1  0.867582  0.367557  0.483170  1
  Fe  Fe188  1  0.163483  0.517170  0.408807  1
  Fe  Fe189  1  0.200915  0.034223  0.483170  1
  Fe  Fe190  1  0.495637  0.526317  0.487043  1
  Fe  Fe191  1  0.477593  0.268178  0.449959  1
  Fe  Fe192  1  0.459347  0.010286  0.412911  1
  Fe  Fe193  1  0.828970  0.192984  0.487043  1
  Fe  Fe194  1  0.810927  0.934845  0.449959  1
  Fe  Fe195  1  0.162303  0.859651  0.487043  1
  Fe  Fe196  1  0.792681  0.676953  0.412911  1
  Fe  Fe197  1  0.144260  0.601511  0.449959  1
  Fe  Fe198  1  0.126014  0.343620  0.412911  1
  Fe  Fe199  1  0.414667  0.647545  0.462022  1
  Fe  Fe200  1  0.396511  0.389199  0.424920  1
  Fe  Fe201  1  0.433425  0.906015  0.499026  1
  Fe  Fe202  1  0.748001  0.314211  0.462022  1
  Fe  Fe203  1  0.729845  0.055866  0.424920  1
  Fe  Fe204  1  0.081334  0.980878  0.462022  1
  Fe  Fe205  1  0.766759  0.572681  0.499026  1
  Fe  Fe206  1  0.063178  0.722532  0.424920  1
  Fe  Fe207  1  0.100092  0.239348  0.499026  1
  Fe  Fe208  1  0.379867  0.478401  0.463183  1
  Fe  Fe209  1  0.361736  0.220569  0.426255  1
  Fe  Fe210  1  0.342894  0.961676  0.389443  1
  Fe  Fe211  1  0.713200  0.145068  0.463183  1
  Fe  Fe212  1  0.695069  0.887236  0.426255  1
  Fe  Fe213  1  0.046533  0.811735  0.463183  1
  Fe  Fe214  1  0.676228  0.628343  0.389443  1
  Fe  Fe215  1  0.028402  0.553902  0.426255  1
  Fe  Fe216  1  0.009561  0.295009  0.389443  1
  Fe  Fe217  1  0.343088  0.627182  0.389995  1
  Fe  Fe218  1  0.380460  0.143559  0.463969  1
  Fe  Fe219  1  0.361633  0.885311  0.427135  1
  Fe  Fe220  1  0.676421  0.293849  0.389995  1
  Fe  Fe221  1  0.713793  0.810225  0.463969  1
  Fe  Fe222  1  0.009754  0.960515  0.389995  1
  Fe  Fe223  1  0.694966  0.551978  0.427135  1
  Fe  Fe224  1  0.047126  0.476892  0.463969  1
  Fe  Fe225  1  0.028300  0.218644  0.427135  1
  Fe  Fe226  1  0.515745  0.698742  0.436832  1
  Fe  Fe227  1  0.497338  0.439686  0.399556  1
  Fe  Fe228  1  0.534246  0.957104  0.473779  1
  Fe  Fe229  1  0.849079  0.365409  0.436832  1
  Fe  Fe230  1  0.830672  0.106353  0.399556  1
  Fe  Fe231  1  0.182412  0.032075  0.436832  1
  Fe  Fe232  1  0.867579  0.623770  0.473779  1
  Fe  Fe233  1  0.164005  0.773019  0.399556  1
  Fe  Fe234  1  0.200912  0.290437  0.473779  1
  Fe  Fe235  1  0.306977  0.791882  0.391863  1
  Fe  Fe236  1  0.343485  0.307984  0.465808  1
  Fe  Fe237  1  0.325430  0.049365  0.428853  1
  Fe  Fe238  1  0.640311  0.458549  0.391863  1
  Fe  Fe239  1  0.676818  0.974651  0.465808  1
  Fe  Fe240  1  0.973644  0.125216  0.391863  1
  Fe  Fe241  1  0.658763  0.716032  0.428853  1
  Fe  Fe242  1  0.010152  0.641318  0.465808  1
  Fe  Fe243  1  0.992097  0.382699  0.428853  1
  Fe  Fe244  1  0.432883  0.561542  0.422791  1
  Fe  Fe245  1  0.470084  0.078970  0.496763  1
  Fe  Fe246  1  0.451531  0.820861  0.459669  1
  Fe  Fe247  1  0.766216  0.228208  0.422791  1
  Fe  Fe248  1  0.803417  0.745636  0.496763  1
  Fe  Fe249  1  0.099550  0.894875  0.422791  1
  Fe  Fe250  1  0.784864  0.487527  0.459669  1
  Fe  Fe251  1  0.136750  0.412303  0.496763  1
  Fe  Fe252  1  0.118198  0.154194  0.459669  1
  Fe  Fe253  1  0.451424  0.499349  0.535296  1
  Fe  Fe254  1  0.489033  0.016639  0.609376  1
  Fe  Fe255  1  0.470056  0.758130  0.572287  1
  Fe  Fe256  1  0.784758  0.166016  0.535296  1
  Fe  Fe257  1  0.822366  0.683306  0.609376  1
  Fe  Fe258  1  0.118091  0.832683  0.535296  1
  Fe  Fe259  1  0.803389  0.424796  0.572287  1
  Fe  Fe260  1  0.155699  0.349973  0.609376  1
  Fe  Fe261  1  0.136723  0.091463  0.572287  1
  Fe  Fe262  1  0.334300  0.201740  0.599477  1
  Fe  Fe263  1  0.316401  0.945102  0.562399  1
  Fe  Fe264  1  0.297629  0.686070  0.525453  1
  Fe  Fe265  1  0.667634  0.868407  0.599477  1
  Fe  Fe266  1  0.649734  0.611768  0.562399  1
  Fe  Fe267  1  0.000967  0.535073  0.599477  1
  Fe  Fe268  1  0.630962  0.352737  0.525453  1
  Fe  Fe269  1  0.983067  0.278435  0.562399  1
  Fe  Fe270  1  0.964296  0.019403  0.525453  1
  Fe  Fe271  1  0.346578  0.265625  0.533579  1
  Fe  Fe272  1  0.384344  0.782875  0.607449  1
  Fe  Fe273  1  0.365136  0.523835  0.570687  1
  Fe  Fe274  1  0.679911  0.932291  0.533579  1
  Fe  Fe275  1  0.717677  0.449542  0.607449  1
  Fe  Fe276  1  0.013245  0.598958  0.533579  1
  Fe  Fe277  1  0.698469  0.190502  0.570687  1
  Fe  Fe278  1  0.051010  0.116208  0.607449  1
  Fe  Fe279  1  0.031803  0.857168  0.570687  1
  Fe  Fe280  1  0.327424  0.349795  0.574692  1
  Fe  Fe281  1  0.308414  0.091356  0.537430  1
  Fe  Fe282  1  0.289787  0.832819  0.500457  1
  Fe  Fe283  1  0.660757  0.016462  0.574692  1
  Fe  Fe284  1  0.641748  0.758023  0.537430  1
  Fe  Fe285  1  0.994091  0.683129  0.574692  1
  Fe  Fe286  1  0.623120  0.499486  0.500457  1
  Fe  Fe287  1  0.975081  0.424690  0.537430  1
  Fe  Fe288  1  0.956453  0.166153  0.500457  1
  Fe  Fe289  1  0.306897  0.431078  0.534159  1
  Fe  Fe290  1  0.343823  0.947401  0.608349  1
  Fe  Fe291  1  0.325105  0.689668  0.571228  1
  Fe  Fe292  1  0.640231  0.097744  0.534159  1
  Fe  Fe293  1  0.677156  0.614067  0.608349  1
  Fe  Fe294  1  0.973564  0.764411  0.534159  1
  Fe  Fe295  1  0.658438  0.356334  0.571228  1
  Fe  Fe296  1  0.010490  0.280734  0.608349  1
  Fe  Fe297  1  0.991771  0.023001  0.571228  1
  Fe  Fe298  1  0.591074  0.136635  0.597546  1
  Fe  Fe299  1  0.572876  0.878257  0.560402  1
  Fe  Fe300  1  0.554207  0.619629  0.523424  1
  Fe  Fe301  1  0.924407  0.803302  0.597546  1
  Fe  Fe302  1  0.906210  0.544923  0.560402  1
  Fe  Fe303  1  0.257741  0.469968  0.597546  1
  Fe  Fe304  1  0.887540  0.286295  0.523424  1
  Fe  Fe305  1  0.239543  0.211590  0.560402  1
  Fe  Fe306  1  0.220874  0.952962  0.523424  1
  Fe  Fe307  1  0.571107  0.217969  0.557231  1
  Fe  Fe308  1  0.552585  0.959452  0.520096  1
  Fe  Fe309  1  0.589592  0.476113  0.594179  1
  Fe  Fe310  1  0.904440  0.884636  0.557231  1
  Fe  Fe311  1  0.885918  0.626119  0.520096  1
  Fe  Fe312  1  0.237774  0.551303  0.557231  1
  Fe  Fe313  1  0.922926  0.142779  0.594179  1
  Fe  Fe314  1  0.219251  0.292786  0.520096  1
  Fe  Fe315  1  0.256259  0.809446  0.594179  1
  Fe  Fe316  1  0.550410  0.302084  0.598134  1
  Fe  Fe317  1  0.533076  0.043463  0.561084  1
  Fe  Fe318  1  0.514200  0.785109  0.524005  1
  Fe  Fe319  1  0.883743  0.968750  0.598134  1
  Fe  Fe320  1  0.866409  0.710130  0.561084  1
  Fe  Fe321  1  0.217076  0.635417  0.598134  1
  Fe  Fe322  1  0.847534  0.451776  0.524005  1
  Fe  Fe323  1  0.199742  0.376797  0.561084  1
  Fe  Fe324  1  0.180867  0.118442  0.524005  1
  Fe  Fe325  1  0.470084  0.422928  0.573116  1
  Fe  Fe326  1  0.451871  0.164475  0.536063  1
  Fe  Fe327  1  0.489014  0.681399  0.609867  1
  Fe  Fe328  1  0.803418  0.089595  0.573116  1
  Fe  Fe329  1  0.785205  0.831142  0.536063  1
  Fe  Fe330  1  0.136751  0.756262  0.573116  1
  Fe  Fe331  1  0.822348  0.348065  0.609867  1
  Fe  Fe332  1  0.118538  0.497809  0.536063  1
  Fe  Fe333  1  0.155681  0.014732  0.609867  1
  Fe  Fe334  1  0.435377  0.253855  0.574420  1
  Fe  Fe335  1  0.416955  0.995520  0.537253  1
  Fe  Fe336  1  0.398488  0.736974  0.500221  1
  Fe  Fe337  1  0.768710  0.920522  0.574420  1
  Fe  Fe338  1  0.750289  0.662186  0.537253  1
  Fe  Fe339  1  0.102044  0.587188  0.574420  1
  Fe  Fe340  1  0.731821  0.403641  0.500221  1
  Fe  Fe341  1  0.083622  0.328853  0.537253  1
  Fe  Fe342  1  0.065155  0.070308  0.500221  1
  Fe  Fe343  1  0.398891  0.402034  0.500959  1
  Fe  Fe344  1  0.435943  0.919021  0.575041  1
  Fe  Fe345  1  0.417353  0.660766  0.537981  1
  Fe  Fe346  1  0.732224  0.068700  0.500959  1
  Fe  Fe347  1  0.769276  0.585687  0.575041  1
  Fe  Fe348  1  0.065557  0.735367  0.500959  1
  Fe  Fe349  1  0.750686  0.327433  0.537981  1
  Fe  Fe350  1  0.102609  0.252354  0.575041  1
  Fe  Fe351  1  0.084020  0.994099  0.537981  1
  Fe  Fe352  1  0.571040  0.474099  0.547899  1
  Fe  Fe353  1  0.552781  0.215602  0.510866  1
  Fe  Fe354  1  0.589955  0.732602  0.584821  1
  Fe  Fe355  1  0.904374  0.140766  0.547899  1
  Fe  Fe356  1  0.886114  0.882268  0.510866  1
  Fe  Fe357  1  0.237707  0.807433  0.547899  1
  Fe  Fe358  1  0.923288  0.399268  0.584821  1
  Fe  Fe359  1  0.219447  0.548935  0.510866  1
  Fe  Fe360  1  0.256622  0.065935  0.584821  1
  Fe  Fe361  1  0.361966  0.566638  0.502946  1
  Fe  Fe362  1  0.398869  0.083531  0.577159  1
  Fe  Fe363  1  0.380667  0.825081  0.539843  1
  Fe  Fe364  1  0.695299  0.233305  0.502946  1
  Fe  Fe365  1  0.732203  0.750197  0.577159  1
  Fe  Fe366  1  0.028632  0.899972  0.502946  1
  Fe  Fe367  1  0.714000  0.491748  0.539843  1
  Fe  Fe368  1  0.065536  0.416864  0.577159  1
  Fe  Fe369  1  0.047333  0.158414  0.539843  1
  Fe  Fe370  1  0.488396  0.337178  0.533778  1
  Fe  Fe371  1  0.526087  0.854294  0.607916  1
  Fe  Fe372  1  0.506952  0.595832  0.570696  1
  Fe  Fe373  1  0.821729  0.003845  0.533778  1
  Fe  Fe374  1  0.859420  0.520961  0.607916  1
  Fe  Fe375  1  0.155063  0.670512  0.533778  1
  Fe  Fe376  1  0.840285  0.262499  0.570696  1
  Fe  Fe377  1  0.192754  0.187627  0.607916  1
  Fe  Fe378  1  0.173618  0.929165  0.570696  1
  Fe  Fe379  1  0.506524  0.275714  0.646251  1
  Fe  Fe380  1  0.543119  0.790585  0.720620  1
  Fe  Fe381  1  0.526664  0.531909  0.683260  1
  Fe  Fe382  1  0.839857  0.942381  0.646251  1
  Fe  Fe383  1  0.876452  0.457252  0.720620  1
  Fe  Fe384  1  0.173190  0.609047  0.646251  1
  Fe  Fe385  1  0.859997  0.198576  0.683260  1
  Fe  Fe386  1  0.209786  0.123918  0.720620  1
  Fe  Fe387  1  0.193331  0.865242  0.683260  1
  Fe  Fe388  1  0.391834  0.982768  0.710552  1
  Fe  Fe389  1  0.370757  0.716887  0.673147  1
  Fe  Fe390  1  0.352807  0.462372  0.636677  1
  Fe  Fe391  1  0.725167  0.649434  0.710552  1
  Fe  Fe392  1  0.704090  0.383554  0.673147  1
  Fe  Fe393  1  0.058501  0.316101  0.710552  1
  Fe  Fe394  1  0.686140  0.129039  0.636677  1
  Fe  Fe395  1  0.037423  0.050221  0.673147  1
  Fe  Fe396  1  0.019474  0.795705  0.636677  1
  Fe  Fe397  1  0.403017  0.041229  0.644956  1
  Fe  Fe398  1  0.444322  0.561988  0.718181  1
  Fe  Fe399  1  0.418702  0.299009  0.682231  1
  Fe  Fe400  1  0.736351  0.707896  0.644956  1
  Fe  Fe401  1  0.777656  0.228654  0.718181  1
  Fe  Fe402  1  0.069684  0.374563  0.644956  1
  Fe  Fe403  1  0.752036  0.965676  0.682231  1
  Fe  Fe404  1  0.110989  0.895321  0.718181  1
  Fe  Fe405  1  0.085369  0.632342  0.682231  1
  Fe  Fe406  1  0.379392  0.124089  0.684662  1
  Fe  Fe407  1  0.364948  0.865756  0.648571  1
  Fe  Fe408  1  0.344401  0.608237  0.611099  1
  Fe  Fe409  1  0.712725  0.790755  0.684662  1
  Fe  Fe410  1  0.698281  0.532422  0.648571  1
  Fe  Fe411  1  0.046058  0.457422  0.684662  1
  Fe  Fe412  1  0.677735  0.274903  0.611099  1
  Fe  Fe413  1  0.031614  0.199089  0.648571  1
  Fe  Fe414  1  0.011068  0.941570  0.611099  1
  Fe  Fe415  1  0.362711  0.207684  0.645210  1
  Fe  Fe416  1  0.395068  0.724443  0.718856  1
  Fe  Fe417  1  0.378588  0.462160  0.683647  1
  Fe  Fe418  1  0.696045  0.874351  0.645210  1
  Fe  Fe419  1  0.728402  0.391110  0.718856  1
  Fe  Fe420  1  0.029378  0.541017  0.645210  1
  Fe  Fe421  1  0.711921  0.128826  0.683647  1
  Fe  Fe422  1  0.061735  0.057776  0.718856  1
  Fe  Fe423  1  0.045254  0.795493  0.683647  1
  Fe  Fe424  1  0.643751  0.910751  0.709838  1
  Fe  Fe425  1  0.627364  0.651984  0.671495  1
  Fe  Fe426  1  0.610263  0.395125  0.633796  1
  Fe  Fe427  1  0.977085  0.577417  0.709838  1
  Fe  Fe428  1  0.960698  0.318651  0.671495  1
  Fe  Fe429  1  0.310418  0.244084  0.709838  1
  Fe  Fe430  1  0.943596  0.061791  0.633796  1
  Fe  Fe431  1  0.294031  0.985318  0.671495  1
  Fe  Fe432  1  0.276929  0.728458  0.633796  1
  Fe  Fe433  1  0.625632  0.994354  0.668569  1
  Fe  Fe434  1  0.607951  0.734883  0.631316  1
  Fe  Fe435  1  0.647503  0.249376  0.705973  1
  Fe  Fe436  1  0.958965  0.661020  0.668569  1
  Fe  Fe437  1  0.941284  0.401549  0.631316  1
  Fe  Fe438  1  0.292299  0.327687  0.668569  1
  Fe  Fe439  1  0.980836  0.916043  0.705973  1
  Fe  Fe440  1  0.274617  0.068216  0.631316  1
  Fe  Fe441  1  0.314169  0.582710  0.705973  1
  Fe  Fe442  1  0.600857  0.079864  0.709384  1
  Fe  Fe443  1  0.586646  0.818589  0.672282  1
  Fe  Fe444  1  0.570290  0.560245  0.634928  1
  Fe  Fe445  1  0.934190  0.746531  0.709384  1
  Fe  Fe446  1  0.919979  0.485256  0.672282  1
  Fe  Fe447  1  0.267524  0.413197  0.709384  1
  Fe  Fe448  1  0.903624  0.226912  0.634928  1
  Fe  Fe449  1  0.253313  0.151922  0.672282  1
  Fe  Fe450  1  0.236957  0.893578  0.634928  1
  Fe  Fe451  1  0.524696  0.198975  0.684699  1
  Fe  Fe452  1  0.507148  0.939353  0.647298  1
  Fe  Fe453  1  0.537867  0.440419  0.723881  1
  Fe  Fe454  1  0.858030  0.865641  0.684699  1
  Fe  Fe455  1  0.840482  0.606019  0.647298  1
  Fe  Fe456  1  0.191363  0.532308  0.684699  1
  Fe  Fe457  1  0.871201  0.107086  0.723881  1
  Fe  Fe458  1  0.173815  0.272686  0.647298  1
  Fe  Fe459  1  0.204534  0.773753  0.723881  1
  Fe  Fe460  1  0.490222  0.029269  0.685300  1
  Fe  Fe461  1  0.472121  0.770353  0.648371  1
  Fe  Fe462  1  0.453764  0.513297  0.611369  1
  Fe  Fe463  1  0.823555  0.695936  0.685300  1
  Fe  Fe464  1  0.805455  0.437020  0.648371  1
  Fe  Fe465  1  0.156888  0.362602  0.685300  1
  Fe  Fe466  1  0.787098  0.179964  0.611369  1
  Fe  Fe467  1  0.138788  0.103687  0.648371  1
  Fe  Fe468  1  0.120431  0.846630  0.611369  1
  Fe  Fe469  1  0.454445  0.177039  0.612093  1
  Fe  Fe470  1  0.491344  0.692030  0.686094  1
  Fe  Fe471  1  0.472441  0.437001  0.649045  1
  Fe  Fe472  1  0.787779  0.843705  0.612093  1
  Fe  Fe473  1  0.824678  0.358697  0.686094  1
  Fe  Fe474  1  0.121112  0.510372  0.612093  1
  Fe  Fe475  1  0.805774  0.103668  0.649045  1
  Fe  Fe476  1  0.158011  0.025364  0.686094  1
  Fe  Fe477  1  0.139107  0.770335  0.649045  1
  Fe  Fe478  1  0.625958  0.250375  0.658960  1
  Fe  Fe479  1  0.608418  0.990829  0.621941  1
  Fe  Fe480  1  0.644449  0.504938  0.695805  1
  Fe  Fe481  1  0.959292  0.917042  0.658960  1
  Fe  Fe482  1  0.941752  0.657495  0.621941  1
  Fe  Fe483  1  0.292625  0.583709  0.658960  1
  Fe  Fe484  1  0.977782  0.171605  0.695805  1
  Fe  Fe485  1  0.275085  0.324162  0.621941  1
  Fe  Fe486  1  0.311116  0.838271  0.695805  1
  Fe  Fe487  1  0.416986  0.342386  0.614486  1
  Fe  Fe488  1  0.453395  0.859538  0.689119  1
  Fe  Fe489  1  0.435894  0.599063  0.650499  1
  Fe  Fe490  1  0.750319  0.009053  0.614486  1
  Fe  Fe491  1  0.786729  0.526204  0.689119  1
  Fe  Fe492  1  0.083652  0.675720  0.614486  1
  Fe  Fe493  1  0.769228  0.265730  0.650499  1
  Fe  Fe494  1  0.120062  0.192871  0.689119  1
  Fe  Fe495  1  0.102561  0.932396  0.650499  1
  Fe  Fe496  1  0.543492  0.112922  0.644815  1
  Fe  Fe497  1  0.585222  0.630038  0.720455  1
  Fe  Fe498  1  0.560426  0.369018  0.680487  1
  Fe  Fe499  1  0.876826  0.779589  0.644815  1
  Fe  Fe500  1  0.918556  0.296705  0.720455  1
  Fe  Fe501  1  0.210159  0.446256  0.644815  1
  Fe  Fe502  1  0.893759  0.035685  0.680487  1
  Fe  Fe503  1  0.251889  0.963372  0.720455  1
  Fe  Fe504  1  0.227093  0.702352  0.680487  1
  C  C505  1  0.346879  0.085235  0.283502  1
  C  C506  1  0.387173  0.600031  0.357483  1
  C  C507  1  0.369840  0.338604  0.319693  1
  C  C508  1  0.680212  0.751901  0.283502  1
  C  C509  1  0.720507  0.266698  0.357483  1
  C  C510  1  0.013545  0.418568  0.283502  1
  C  C511  1  0.703174  0.005271  0.319693  1
  C  C512  1  0.053840  0.933365  0.357483  1
  C  C513  1  0.036507  0.671938  0.319693  1
  C  C514  1  0.440652  0.798899  0.341634  1
  C  C515  1  0.424144  0.542250  0.304596  1
  C  C516  1  0.460357  0.055476  0.378117  1
  C  C517  1  0.773985  0.465565  0.341634  1
  C  C518  1  0.757477  0.208917  0.304596  1
  C  C519  1  0.107318  0.132232  0.341634  1
  C  C520  1  0.793691  0.722143  0.378117  1
  C  C521  1  0.090810  0.875583  0.304596  1
  C  C522  1  0.127024  0.388810  0.378117  1
  C  C523  1  0.414500  0.895551  0.293489  1
  C  C524  1  0.453390  0.414542  0.366326  1
  C  C525  1  0.437228  0.152665  0.328981  1
  C  C526  1  0.747834  0.562218  0.293489  1
  C  C527  1  0.786724  0.081209  0.366326  1
  C  C528  1  0.081167  0.228885  0.293489  1
  C  C529  1  0.770562  0.819331  0.328981  1
  C  C530  1  0.120057  0.747876  0.366326  1
  C  C531  1  0.103895  0.485998  0.328981  1
  C  C532  1  0.219633  0.019740  0.316118  1
  C  C533  1  0.200996  0.760244  0.279573  1
  C  C534  1  0.239013  0.273209  0.352790  1
  C  C535  1  0.552966  0.686407  0.316118  1
  C  C536  1  0.534330  0.426911  0.279573  1
  C  C537  1  0.886299  0.353073  0.316118  1
  C  C538  1  0.572347  0.939875  0.352790  1
  C  C539  1  0.867663  0.093577  0.279573  1
  C  C540  1  0.905680  0.606542  0.352790  1
  C  C541  1  0.250633  0.891502  0.378176  1
  C  C542  1  0.232046  0.632097  0.341086  1
  C  C543  1  0.211000  0.369589  0.303549  1
  C  C544  1  0.583966  0.558168  0.378176  1
  C  C545  1  0.565379  0.298764  0.341086  1
  C  C546  1  0.917299  0.224835  0.378176  1
  C  C547  1  0.544334  0.036255  0.303549  1
  C  C548  1  0.898713  0.965430  0.341086  1
  C  C549  1  0.877667  0.702922  0.303549  1
  C  C550  1  0.286724  0.833625  0.325557  1
  C  C551  1  0.266802  0.576953  0.287663  1
  C  C552  1  0.304845  0.089432  0.362292  1
  C  C553  1  0.620057  0.500291  0.325557  1
  C  C554  1  0.600135  0.243619  0.287663  1
  C  C555  1  0.953390  0.166958  0.325557  1
  C  C556  1  0.638178  0.756099  0.362292  1
  C  C557  1  0.933469  0.910286  0.287663  1
  C  C558  1  0.971511  0.422765  0.362292  1
  C  C559  1  0.406200  0.858637  0.394672  1
  C  C560  1  0.442702  0.374871  0.468399  1
  C  C561  1  0.424436  0.116844  0.431405  1
  C  C562  1  0.739533  0.525304  0.394672  1
  C  C563  1  0.776035  0.041538  0.468399  1
  C  C564  1  0.072867  0.191971  0.394672  1
  C  C565  1  0.757770  0.783511  0.431405  1
  C  C566  1  0.109368  0.708205  0.468399  1
  C  C567  1  0.091103  0.450178  0.431405  1
  C  C568  1  0.496830  0.574118  0.452501  1
  C  C569  1  0.478357  0.315308  0.415351  1
  C  C570  1  0.515399  0.832412  0.489411  1
  C  C571  1  0.830163  0.240784  0.452501  1
  C  C572  1  0.811690  0.981975  0.415351  1
  C  C573  1  0.163497  0.907451  0.452501  1
  C  C574  1  0.848732  0.499078  0.489411  1
  C  C575  1  0.145024  0.648641  0.415351  1
  C  C576  1  0.182066  0.165745  0.489411  1
  C  C577  1  0.472094  0.672646  0.403605  1
  C  C578  1  0.509396  0.190033  0.477575  1
  C  C579  1  0.491097  0.931727  0.440448  1
  C  C580  1  0.805427  0.339313  0.403605  1
  C  C581  1  0.842730  0.856700  0.477575  1
  C  C582  1  0.138760  0.005979  0.403605  1
  C  C583  1  0.824430  0.598393  0.440448  1
  C  C584  1  0.176063  0.523366  0.477575  1
  C  C585  1  0.157763  0.265060  0.440448  1
  C  C586  1  0.275030  0.791927  0.427008  1
  C  C587  1  0.256606  0.533645  0.389845  1
  C  C588  1  0.293688  0.050446  0.464008  1
  C  C589  1  0.608364  0.458594  0.427008  1
  C  C590  1  0.589940  0.200311  0.389845  1
  C  C591  1  0.941697  0.125260  0.427008  1
  C  C592  1  0.627021  0.717113  0.464008  1
  C  C593  1  0.923273  0.866978  0.389845  1
  C  C594  1  0.960355  0.383780  0.464008  1
  C  C595  1  0.306097  0.666567  0.489178  1
  C  C596  1  0.287696  0.407875  0.451980  1
  C  C597  1  0.269801  0.149484  0.415075  1
  C  C598  1  0.639430  0.333234  0.489178  1
  C  C599  1  0.621029  0.074542  0.451980  1
  C  C600  1  0.972763  0.999900  0.489178  1
  C  C601  1  0.603134  0.816151  0.415075  1
  C  C602  1  0.954363  0.741208  0.451980  1
  C  C603  1  0.936468  0.482818  0.415075  1
  C  C604  1  0.341698  0.606878  0.436136  1
  C  C605  1  0.323594  0.349083  0.398973  1
  C  C606  1  0.360281  0.865429  0.473191  1
  C  C607  1  0.675032  0.273544  0.436136  1
  C  C608  1  0.656928  0.015749  0.398973  1
  C  C609  1  0.008365  0.940211  0.436136  1
  C  C610  1  0.693614  0.532096  0.473191  1
  C  C611  1  0.990261  0.682416  0.398973  1
  C  C612  1  0.026948  0.198762  0.473191  1
  C  C613  1  0.461258  0.633388  0.505456  1
  C  C614  1  0.498214  0.150230  0.579504  1
  C  C615  1  0.479845  0.892048  0.542485  1
  C  C616  1  0.794592  0.300055  0.505456  1
  C  C617  1  0.831548  0.816896  0.579504  1
  C  C618  1  0.127925  0.966722  0.505456  1
  C  C619  1  0.813178  0.558714  0.542485  1
  C  C620  1  0.164881  0.483563  0.579504  1
  C  C621  1  0.146512  0.225381  0.542485  1
  C  C622  1  0.552153  0.349416  0.563537  1
  C  C623  1  0.533932  0.090928  0.526506  1
  C  C624  1  0.571079  0.607781  0.600369  1
  C  C625  1  0.885487  0.016082  0.563537  1
  C  C626  1  0.867265  0.757595  0.526506  1
  C  C627  1  0.218820  0.682749  0.563537  1
  C  C628  1  0.904412  0.274448  0.600369  1
  C  C629  1  0.200598  0.424261  0.526506  1
  C  C630  1  0.237746  0.941115  0.600369  1
  C  C631  1  0.527845  0.448191  0.514598  1
  C  C632  1  0.565201  0.965198  0.588627  1
  C  C633  1  0.546399  0.706953  0.551557  1
  C  C634  1  0.861179  0.114857  0.514598  1
  C  C635  1  0.898534  0.631864  0.588627  1
  C  C636  1  0.194512  0.781524  0.514598  1
  C  C637  1  0.879733  0.373619  0.551557  1
  C  C638  1  0.231868  0.298531  0.588627  1
  C  C639  1  0.213066  0.040286  0.551557  1
  C  C640  1  0.330701  0.567477  0.538157  1
  C  C641  1  0.312159  0.308872  0.501010  1
  C  C642  1  0.349018  0.826134  0.575010  1
  C  C643  1  0.664035  0.234143  0.538157  1
  C  C644  1  0.645492  0.975538  0.501010  1
  C  C645  1  0.997368  0.900810  0.538157  1
  C  C646  1  0.682351  0.492801  0.575010  1
  C  C647  1  0.978825  0.642205  0.501010  1
  C  C648  1  0.015685  0.159467  0.575010  1
  C  C649  1  0.361551  0.442204  0.600428  1
  C  C650  1  0.343258  0.183323  0.563178  1
  C  C651  1  0.324670  0.925005  0.526146  1
  C  C652  1  0.694884  0.108871  0.600428  1
  C  C653  1  0.676591  0.849990  0.563178  1
  C  C654  1  0.028218  0.775538  0.600428  1
  C  C655  1  0.658004  0.591672  0.526146  1
  C  C656  1  0.009924  0.516657  0.563178  1
  C  C657  1  0.991337  0.258338  0.526146  1
  C  C658  1  0.397209  0.382212  0.547209  1
  C  C659  1  0.378878  0.124066  0.510163  1
  C  C660  1  0.415705  0.640893  0.584073  1
  C  C661  1  0.730542  0.048879  0.547209  1
  C  C662  1  0.712212  0.790732  0.510163  1
  C  C663  1  0.063876  0.715546  0.547209  1
  C  C664  1  0.749038  0.307560  0.584073  1
  C  C665  1  0.045545  0.457399  0.510163  1
  C  C666  1  0.082372  0.974227  0.584073  1
  C  C667  1  0.516289  0.409405  0.616515  1
  C  C668  1  0.552980  0.925868  0.690787  1
  C  C669  1  0.534810  0.666526  0.653376  1
  C  C670  1  0.849622  0.076072  0.616515  1
  C  C671  1  0.886313  0.592534  0.690787  1
  C  C672  1  0.182956  0.742739  0.616515  1
  C  C673  1  0.868143  0.333193  0.653376  1
  C  C674  1  0.219646  0.259201  0.690787  1
  C  C675  1  0.201477  0.999860  0.653376  1
  C  C676  1  0.606668  0.125951  0.674701  1
  C  C677  1  0.589586  0.866454  0.637742  1
  C  C678  1  0.622466  0.379383  0.710647  1
  C  C679  1  0.940001  0.792618  0.674701  1
  C  C680  1  0.922919  0.533121  0.637742  1
  C  C681  1  0.273335  0.459284  0.674701  1
  C  C682  1  0.955799  0.046049  0.710647  1
  C  C683  1  0.256253  0.199787  0.637742  1
  C  C684  1  0.289132  0.712716  0.710647  1
  C  C685  1  0.582922  0.223991  0.625654  1
  C  C686  1  0.618666  0.739211  0.699590  1
  C  C687  1  0.602463  0.480998  0.662238  1
  C  C688  1  0.916255  0.890657  0.625654  1
  C  C689  1  0.952000  0.405877  0.699590  1
  C  C690  1  0.249588  0.557324  0.625654  1
  C  C691  1  0.935796  0.147665  0.662238  1
  C  C692  1  0.285333  0.072544  0.699590  1
  C  C693  1  0.269130  0.814331  0.662238  1
  C  C694  1  0.385575  0.344048  0.649679  1
  C  C695  1  0.367835  0.083728  0.612401  1
  C  C696  1  0.404817  0.598707  0.685728  1
  C  C697  1  0.718908  0.010714  0.649679  1
  C  C698  1  0.701168  0.750394  0.612401  1
  C  C699  1  0.052242  0.677381  0.649679  1
  C  C700  1  0.738151  0.265373  0.685728  1
  C  C701  1  0.034501  0.417061  0.612401  1
  C  C702  1  0.071484  0.932040  0.685728  1
  C  C703  1  0.413658  0.213211  0.711126  1
  C  C704  1  0.397938  0.958157  0.674434  1
  C  C705  1  0.380421  0.699545  0.636845  1
  C  C706  1  0.746992  0.879878  0.711126  1
  C  C707  1  0.731271  0.624823  0.674434  1
  C  C708  1  0.080325  0.546545  0.711126  1
  C  C709  1  0.713754  0.366212  0.636845  1
  C  C710  1  0.064604  0.291490  0.674434  1
  C  C711  1  0.047088  0.032878  0.636845  1
  C  C712  1  0.452799  0.158684  0.658425  1
  C  C713  1  0.434735  0.899424  0.621184  1
  C  C714  1  0.471422  0.415463  0.695149  1
  C  C715  1  0.786133  0.825351  0.658425  1
  C  C716  1  0.768069  0.566091  0.621184  1
  C  C717  1  0.119466  0.492018  0.658425  1
  C  C718  1  0.804755  0.082129  0.695149  1
  C  C719  1  0.101402  0.232757  0.621184  1
  C  C720  1  0.138089  0.748796  0.695149  1
