# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.53110660
_cell_length_b   16.46936352
_cell_length_c   46.91132265
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.13000089
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe360 C120'
_cell_volume   10581.9680287
_cell_formula_units_Z   120
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  0.021382  0.543549  0.275164  1
  Fe  Fe2  1  0.521382  0.543549  0.275164  1
  Fe  Fe3  1  0.175667  0.850214  0.304490  1
  Fe  Fe4  1  0.597148  0.197112  0.289450  1
  Fe  Fe5  1  0.675667  0.850214  0.304490  1
  Fe  Fe6  1  0.097148  0.197112  0.289450  1
  Fe  Fe7  1  0.416435  0.335069  0.316469  1
  Fe  Fe8  1  0.916435  0.335069  0.316469  1
  Fe  Fe9  1  0.847368  0.688433  0.301466  1
  Fe  Fe10  1  0.269853  0.037663  0.286469  1
  Fe  Fe11  1  0.347368  0.688433  0.301466  1
  Fe  Fe12  1  0.769853  0.037663  0.286469  1
  Fe  Fe13  1  0.858083  0.387298  0.274643  1
  Fe  Fe14  1  0.358083  0.387298  0.274643  1
  Fe  Fe15  1  0.011116  0.683489  0.304120  1
  Fe  Fe16  1  0.436089  0.040982  0.289511  1
  Fe  Fe17  1  0.511116  0.683489  0.304120  1
  Fe  Fe18  1  0.936089  0.040982  0.289511  1
  Fe  Fe19  1  0.421927  0.502265  0.318557  1
  Fe  Fe20  1  0.921927  0.502265  0.318557  1
  Fe  Fe21  1  0.847488  0.853148  0.303163  1
  Fe  Fe22  1  0.271274  0.203315  0.288357  1
  Fe  Fe23  1  0.347488  0.853148  0.303163  1
  Fe  Fe24  1  0.771274  0.203315  0.288357  1
  Fe  Fe25  1  0.578039  0.496491  0.317867  1
  Fe  Fe26  1  0.078039  0.496491  0.317867  1
  Fe  Fe27  1  0.004086  0.846758  0.302291  1
  Fe  Fe28  1  0.428352  0.196586  0.287536  1
  Fe  Fe29  1  0.504086  0.846758  0.302291  1
  Fe  Fe30  1  0.928352  0.196586  0.287536  1
  Fe  Fe31  1  0.516722  0.378098  0.273763  1
  Fe  Fe32  1  0.016722  0.378098  0.273763  1
  Fe  Fe33  1  0.670121  0.679617  0.303079  1
  Fe  Fe34  1  0.095314  0.029500  0.288374  1
  Fe  Fe35  1  0.170121  0.679617  0.303079  1
  Fe  Fe36  1  0.595314  0.029500  0.288374  1
  Fe  Fe37  1  0.748329  0.498109  0.319434  1
  Fe  Fe38  1  0.248329  0.498109  0.319434  1
  Fe  Fe39  1  0.899964  0.799720  0.349573  1
  Fe  Fe40  1  0.324328  0.148588  0.335198  1
  Fe  Fe41  1  0.399964  0.799720  0.349573  1
  Fe  Fe42  1  0.824328  0.148588  0.335198  1
  Fe  Fe43  1  0.143083  0.286835  0.362236  1
  Fe  Fe44  1  0.643083  0.286835  0.362236  1
  Fe  Fe45  1  0.568095  0.636427  0.346511  1
  Fe  Fe46  1  0.993146  0.985924  0.331623  1
  Fe  Fe47  1  0.068095  0.636427  0.346511  1
  Fe  Fe48  1  0.493146  0.985924  0.331623  1
  Fe  Fe49  1  0.586925  0.333143  0.319331  1
  Fe  Fe50  1  0.086925  0.333143  0.319331  1
  Fe  Fe51  1  0.738777  0.634663  0.349188  1
  Fe  Fe52  1  0.163119  0.984030  0.334065  1
  Fe  Fe53  1  0.238777  0.634663  0.349188  1
  Fe  Fe54  1  0.663119  0.984030  0.334065  1
  Fe  Fe55  1  0.147648  0.452952  0.362524  1
  Fe  Fe56  1  0.647648  0.452952  0.362524  1
  Fe  Fe57  1  0.572544  0.802073  0.347265  1
  Fe  Fe58  1  0.997001  0.152923  0.333637  1
  Fe  Fe59  1  0.072544  0.802073  0.347265  1
  Fe  Fe60  1  0.497001  0.152923  0.333637  1
  Fe  Fe61  1  0.304889  0.453961  0.362655  1
  Fe  Fe62  1  0.804889  0.453961  0.362655  1
  Fe  Fe63  1  0.729944  0.803161  0.347174  1
  Fe  Fe64  1  0.154035  0.153030  0.332551  1
  Fe  Fe65  1  0.229944  0.803161  0.347174  1
  Fe  Fe66  1  0.654035  0.153030  0.332551  1
  Fe  Fe67  1  0.244470  0.332226  0.319302  1
  Fe  Fe68  1  0.744470  0.332226  0.319302  1
  Fe  Fe69  1  0.395933  0.634295  0.349009  1
  Fe  Fe70  1  0.820643  0.984485  0.334225  1
  Fe  Fe71  1  0.895933  0.634295  0.349009  1
  Fe  Fe72  1  0.320643  0.984485  0.334225  1
  Fe  Fe73  1  0.475745  0.451211  0.365251  1
  Fe  Fe74  1  0.975745  0.451211  0.365251  1
  Fe  Fe75  1  0.626003  0.751768  0.395474  1
  Fe  Fe76  1  0.050765  0.100866  0.380717  1
  Fe  Fe77  1  0.126003  0.751768  0.395474  1
  Fe  Fe78  1  0.550765  0.100866  0.380717  1
  Fe  Fe79  1  0.870140  0.239936  0.407634  1
  Fe  Fe80  1  0.370140  0.239936  0.407634  1
  Fe  Fe81  1  0.294947  0.589513  0.392098  1
  Fe  Fe82  1  0.718988  0.937657  0.376969  1
  Fe  Fe83  1  0.794947  0.589513  0.392098  1
  Fe  Fe84  1  0.218988  0.937657  0.376969  1
  Fe  Fe85  1  0.313827  0.284433  0.364891  1
  Fe  Fe86  1  0.813827  0.284433  0.364891  1
  Fe  Fe87  1  0.464734  0.586658  0.394712  1
  Fe  Fe88  1  0.889459  0.934364  0.379673  1
  Fe  Fe89  1  0.964734  0.586658  0.394712  1
  Fe  Fe90  1  0.389459  0.934364  0.379673  1
  Fe  Fe91  1  0.874184  0.406016  0.408473  1
  Fe  Fe92  1  0.374184  0.406016  0.408473  1
  Fe  Fe93  1  0.298981  0.754335  0.392737  1
  Fe  Fe94  1  0.723466  0.103820  0.378072  1
  Fe  Fe95  1  0.798981  0.754335  0.392737  1
  Fe  Fe96  1  0.223466  0.103820  0.378072  1
  Fe  Fe97  1  0.031512  0.406199  0.408271  1
  Fe  Fe98  1  0.531512  0.406199  0.408271  1
  Fe  Fe99  1  0.456341  0.754892  0.392882  1
  Fe  Fe100  1  0.880937  0.103809  0.378033  1
  Fe  Fe101  1  0.956341  0.754892  0.392882  1
  Fe  Fe102  1  0.380937  0.103809  0.378033  1
  Fe  Fe103  1  0.971181  0.285030  0.364697  1
  Fe  Fe104  1  0.471181  0.285030  0.364697  1
  Fe  Fe105  1  0.121906  0.586563  0.394801  1
  Fe  Fe106  1  0.547008  0.934992  0.379464  1
  Fe  Fe107  1  0.621906  0.586563  0.394801  1
  Fe  Fe108  1  0.047008  0.934992  0.379464  1
  Fe  Fe109  1  0.201842  0.403304  0.410875  1
  Fe  Fe110  1  0.701842  0.403304  0.410875  1
  Fe  Fe111  1  0.352328  0.704425  0.441082  1
  Fe  Fe112  1  0.777054  0.053493  0.425900  1
  Fe  Fe113  1  0.852328  0.704425  0.441082  1
  Fe  Fe114  1  0.277054  0.053493  0.425900  1
  Fe  Fe115  1  0.596239  0.192011  0.452895  1
  Fe  Fe116  1  0.096239  0.192011  0.452895  1
  Fe  Fe117  1  0.020872  0.541537  0.437636  1
  Fe  Fe118  1  0.445276  0.890266  0.422419  1
  Fe  Fe119  1  0.520872  0.541537  0.437636  1
  Fe  Fe120  1  0.945276  0.890266  0.422419  1
  Fe  Fe121  1  0.039929  0.237521  0.409971  1
  Fe  Fe122  1  0.539929  0.237521  0.409971  1
  Fe  Fe123  1  0.191003  0.539057  0.440235  1
  Fe  Fe124  1  0.615525  0.887212  0.424992  1
  Fe  Fe125  1  0.691003  0.539057  0.440235  1
  Fe  Fe126  1  0.115525  0.887212  0.424992  1
  Fe  Fe127  1  0.600498  0.358202  0.453798  1
  Fe  Fe128  1  0.100498  0.358202  0.453798  1
  Fe  Fe129  1  0.025096  0.706941  0.438366  1
  Fe  Fe130  1  0.449562  0.056290  0.423551  1
  Fe  Fe131  1  0.525096  0.706941  0.438366  1
  Fe  Fe132  1  0.949562  0.056290  0.423551  1
  Fe  Fe133  1  0.757866  0.358529  0.453718  1
  Fe  Fe134  1  0.257866  0.358529  0.453718  1
  Fe  Fe135  1  0.182485  0.707295  0.438470  1
  Fe  Fe136  1  0.606901  0.055558  0.423442  1
  Fe  Fe137  1  0.682485  0.707295  0.438470  1
  Fe  Fe138  1  0.106901  0.055558  0.423442  1
  Fe  Fe139  1  0.697536  0.237594  0.410080  1
  Fe  Fe140  1  0.197536  0.237594  0.410080  1
  Fe  Fe141  1  0.848248  0.538783  0.440166  1
  Fe  Fe142  1  0.273110  0.887193  0.424781  1
  Fe  Fe143  1  0.348248  0.538783  0.440166  1
  Fe  Fe144  1  0.773110  0.887193  0.424781  1
  Fe  Fe145  1  0.928062  0.355600  0.456340  1
  Fe  Fe146  1  0.428062  0.355600  0.456340  1
  Fe  Fe147  1  0.078492  0.656838  0.486529  1
  Fe  Fe148  1  0.503085  0.005795  0.471259  1
  Fe  Fe149  1  0.578492  0.656838  0.486529  1
  Fe  Fe150  1  0.003085  0.005795  0.471259  1
  Fe  Fe151  1  0.322431  0.144292  0.498292  1
  Fe  Fe152  1  0.822431  0.144292  0.498292  1
  Fe  Fe153  1  0.747173  0.494041  0.483190  1
  Fe  Fe154  1  0.171475  0.842797  0.467862  1
  Fe  Fe155  1  0.247173  0.494041  0.483190  1
  Fe  Fe156  1  0.671475  0.842797  0.467862  1
  Fe  Fe157  1  0.766183  0.189411  0.455397  1
  Fe  Fe158  1  0.266183  0.189411  0.455397  1
  Fe  Fe159  1  0.917206  0.491370  0.485734  1
  Fe  Fe160  1  0.341691  0.839852  0.470538  1
  Fe  Fe161  1  0.417206  0.491370  0.485734  1
  Fe  Fe162  1  0.841691  0.839852  0.470538  1
  Fe  Fe163  1  0.326635  0.310526  0.499260  1
  Fe  Fe164  1  0.826635  0.310526  0.499260  1
  Fe  Fe165  1  0.751307  0.659573  0.483944  1
  Fe  Fe166  1  0.175722  0.008419  0.468800  1
  Fe  Fe167  1  0.251307  0.659573  0.483944  1
  Fe  Fe168  1  0.675722  0.008419  0.468800  1
  Fe  Fe169  1  0.484037  0.310332  0.499140  1
  Fe  Fe170  1  0.984037  0.310332  0.499140  1
  Fe  Fe171  1  0.908727  0.659651  0.483997  1
  Fe  Fe172  1  0.332967  0.008217  0.468778  1
  Fe  Fe173  1  0.408727  0.659651  0.483997  1
  Fe  Fe174  1  0.832967  0.008217  0.468778  1
  Fe  Fe175  1  0.423577  0.189584  0.455451  1
  Fe  Fe176  1  0.923577  0.189584  0.455451  1
  Fe  Fe177  1  0.574437  0.491370  0.485745  1
  Fe  Fe178  1  0.998932  0.839777  0.470400  1
  Fe  Fe179  1  0.074437  0.491370  0.485745  1
  Fe  Fe180  1  0.498932  0.839777  0.470400  1
  Fe  Fe181  1  0.654173  0.307777  0.501664  1
  Fe  Fe182  1  0.154173  0.307777  0.501664  1
  Fe  Fe183  1  0.804713  0.609273  0.532094  1
  Fe  Fe184  1  0.229167  0.958029  0.516766  1
  Fe  Fe185  1  0.304713  0.609273  0.532094  1
  Fe  Fe186  1  0.729167  0.958029  0.516766  1
  Fe  Fe187  1  0.048499  0.096470  0.543616  1
  Fe  Fe188  1  0.548499  0.096470  0.543616  1
  Fe  Fe189  1  0.473326  0.446274  0.528697  1
  Fe  Fe190  1  0.897689  0.795232  0.513427  1
  Fe  Fe191  1  0.973326  0.446274  0.528697  1
  Fe  Fe192  1  0.397689  0.795232  0.513427  1
  Fe  Fe193  1  0.492133  0.141536  0.500699  1
  Fe  Fe194  1  0.992133  0.141536  0.500699  1
  Fe  Fe195  1  0.643329  0.443643  0.531158  1
  Fe  Fe196  1  0.067760  0.792489  0.516015  1
  Fe  Fe197  1  0.143329  0.443643  0.531158  1
  Fe  Fe198  1  0.567760  0.792489  0.516015  1
  Fe  Fe199  1  0.052810  0.262651  0.544561  1
  Fe  Fe200  1  0.552810  0.262651  0.544561  1
  Fe  Fe201  1  0.477876  0.612210  0.529420  1
  Fe  Fe202  1  0.901874  0.960692  0.514224  1
  Fe  Fe203  1  0.977876  0.612210  0.529420  1
  Fe  Fe204  1  0.401874  0.960692  0.514224  1
  Fe  Fe205  1  0.210022  0.262481  0.544508  1
  Fe  Fe206  1  0.710022  0.262481  0.544508  1
  Fe  Fe207  1  0.635183  0.612289  0.529559  1
  Fe  Fe208  1  0.059095  0.960695  0.514214  1
  Fe  Fe209  1  0.135183  0.612289  0.529559  1
  Fe  Fe210  1  0.559095  0.960695  0.514214  1
  Fe  Fe211  1  0.149742  0.141733  0.500819  1
  Fe  Fe212  1  0.649742  0.141733  0.500819  1
  Fe  Fe213  1  0.300789  0.443848  0.531181  1
  Fe  Fe214  1  0.725115  0.792414  0.515962  1
  Fe  Fe215  1  0.800789  0.443848  0.531181  1
  Fe  Fe216  1  0.225115  0.792414  0.515962  1
  Fe  Fe217  1  0.380263  0.260058  0.547060  1
  Fe  Fe218  1  0.880263  0.260058  0.547060  1
  Fe  Fe219  1  0.531046  0.561804  0.577537  1
  Fe  Fe220  1  0.955372  0.910533  0.562320  1
  Fe  Fe221  1  0.031046  0.561804  0.577537  1
  Fe  Fe222  1  0.455372  0.910533  0.562320  1
  Fe  Fe223  1  0.774575  0.048765  0.589081  1
  Fe  Fe224  1  0.274575  0.048765  0.589081  1
  Fe  Fe225  1  0.199598  0.398577  0.574055  1
  Fe  Fe226  1  0.623940  0.747645  0.558874  1
  Fe  Fe227  1  0.699598  0.398577  0.574055  1
  Fe  Fe228  1  0.123940  0.747645  0.558874  1
  Fe  Fe229  1  0.218323  0.093860  0.546161  1
  Fe  Fe230  1  0.718323  0.093860  0.546161  1
  Fe  Fe231  1  0.369299  0.395772  0.576407  1
  Fe  Fe232  1  0.794182  0.745121  0.561592  1
  Fe  Fe233  1  0.869299  0.395772  0.576407  1
  Fe  Fe234  1  0.294182  0.745121  0.561592  1
  Fe  Fe235  1  0.778448  0.214541  0.589987  1
  Fe  Fe236  1  0.278448  0.214541  0.589987  1
  Fe  Fe237  1  0.204351  0.564849  0.574966  1
  Fe  Fe238  1  0.627986  0.913005  0.559723  1
  Fe  Fe239  1  0.704351  0.564849  0.574966  1
  Fe  Fe240  1  0.127986  0.913005  0.559723  1
  Fe  Fe241  1  0.935972  0.214471  0.589879  1
  Fe  Fe242  1  0.435972  0.214471  0.589879  1
  Fe  Fe243  1  0.361946  0.564872  0.575178  1
  Fe  Fe244  1  0.785495  0.913283  0.559793  1
  Fe  Fe245  1  0.861946  0.564872  0.575178  1
  Fe  Fe246  1  0.285495  0.913283  0.559793  1
  Fe  Fe247  1  0.875377  0.093536  0.546241  1
  Fe  Fe248  1  0.375377  0.093536  0.546241  1
  Fe  Fe249  1  0.027382  0.396507  0.576517  1
  Fe  Fe250  1  0.451230  0.744770  0.561489  1
  Fe  Fe251  1  0.527382  0.396507  0.576517  1
  Fe  Fe252  1  0.951230  0.744770  0.561489  1
  Fe  Fe253  1  0.106240  0.212133  0.592322  1
  Fe  Fe254  1  0.606240  0.212133  0.592322  1
  Fe  Fe255  1  0.257368  0.514413  0.622986  1
  Fe  Fe256  1  0.681471  0.862557  0.607858  1
  Fe  Fe257  1  0.757368  0.514413  0.622986  1
  Fe  Fe258  1  0.181471  0.862557  0.607858  1
  Fe  Fe259  1  0.500574  0.000859  0.634705  1
  Fe  Fe260  1  0.000574  0.000859  0.634705  1
  Fe  Fe261  1  0.925938  0.351203  0.619239  1
  Fe  Fe262  1  0.350273  0.700302  0.604482  1
  Fe  Fe263  1  0.425938  0.351203  0.619239  1
  Fe  Fe264  1  0.850273  0.700302  0.604482  1
  Fe  Fe265  1  0.944196  0.046046  0.591486  1
  Fe  Fe266  1  0.444196  0.046046  0.591486  1
  Fe  Fe267  1  0.095675  0.348242  0.621887  1
  Fe  Fe268  1  0.520673  0.697727  0.607221  1
  Fe  Fe269  1  0.595675  0.348242  0.621887  1
  Fe  Fe270  1  0.020673  0.697727  0.607221  1
  Fe  Fe271  1  0.505436  0.167630  0.635067  1
  Fe  Fe272  1  0.005436  0.167630  0.635067  1
  Fe  Fe273  1  0.931135  0.517698  0.620285  1
  Fe  Fe274  1  0.354117  0.865404  0.605246  1
  Fe  Fe275  1  0.431135  0.517698  0.620285  1
  Fe  Fe276  1  0.854117  0.865404  0.605246  1
  Fe  Fe277  1  0.662182  0.167035  0.635262  1
  Fe  Fe278  1  0.162182  0.167035  0.635262  1
  Fe  Fe279  1  0.088046  0.517073  0.620495  1
  Fe  Fe280  1  0.511373  0.865502  0.605158  1
  Fe  Fe281  1  0.588046  0.517073  0.620495  1
  Fe  Fe282  1  0.011373  0.865502  0.605158  1
  Fe  Fe283  1  0.601354  0.045866  0.591688  1
  Fe  Fe284  1  0.101354  0.045866  0.591688  1
  Fe  Fe285  1  0.753168  0.348255  0.621927  1
  Fe  Fe286  1  0.177490  0.697173  0.607077  1
  Fe  Fe287  1  0.253168  0.348255  0.621927  1
  Fe  Fe288  1  0.677490  0.697173  0.607077  1
  Fe  Fe289  1  0.832286  0.165235  0.637720  1
  Fe  Fe290  1  0.332286  0.165235  0.637720  1
  Fe  Fe291  1  0.983261  0.466146  0.668333  1
  Fe  Fe292  1  0.407707  0.815643  0.653445  1
  Fe  Fe293  1  0.483261  0.466146  0.668333  1
  Fe  Fe294  1  0.907707  0.815643  0.653445  1
  Fe  Fe295  1  0.226261  0.953961  0.680522  1
  Fe  Fe296  1  0.726261  0.953961  0.680522  1
  Fe  Fe297  1  0.651779  0.303481  0.664758  1
  Fe  Fe298  1  0.076284  0.652350  0.650383  1
  Fe  Fe299  1  0.151779  0.303481  0.664758  1
  Fe  Fe300  1  0.576284  0.652350  0.650383  1
  Fe  Fe301  1  0.670725  0.999110  0.637434  1
  Fe  Fe302  1  0.170725  0.999110  0.637434  1
  Fe  Fe303  1  0.820107  0.299138  0.666320  1
  Fe  Fe304  1  0.246501  0.649989  0.652693  1
  Fe  Fe305  1  0.320107  0.299138  0.666320  1
  Fe  Fe306  1  0.746501  0.649989  0.652693  1
  Fe  Fe307  1  0.229824  0.118918  0.680627  1
  Fe  Fe308  1  0.729824  0.118918  0.680627  1
  Fe  Fe309  1  0.655130  0.468032  0.665894  1
  Fe  Fe310  1  0.080155  0.817398  0.650770  1
  Fe  Fe311  1  0.155130  0.468032  0.665894  1
  Fe  Fe312  1  0.580155  0.817398  0.650770  1
  Fe  Fe313  1  0.388276  0.119839  0.680657  1
  Fe  Fe314  1  0.888276  0.119839  0.680657  1
  Fe  Fe315  1  0.812190  0.467580  0.665734  1
  Fe  Fe316  1  0.237670  0.817771  0.650951  1
  Fe  Fe317  1  0.312190  0.467580  0.665734  1
  Fe  Fe318  1  0.737670  0.817771  0.650951  1
  Fe  Fe319  1  0.326970  0.998105  0.637304  1
  Fe  Fe320  1  0.826970  0.998105  0.637304  1
  Fe  Fe321  1  0.477047  0.299036  0.667408  1
  Fe  Fe322  1  0.902824  0.648903  0.652784  1
  Fe  Fe323  1  0.977047  0.299036  0.667408  1
  Fe  Fe324  1  0.402824  0.648903  0.652784  1
  Fe  Fe325  1  0.557406  0.117001  0.683487  1
  Fe  Fe326  1  0.057406  0.117001  0.683487  1
  Fe  Fe327  1  0.708232  0.414404  0.713486  1
  Fe  Fe328  1  0.134975  0.763638  0.698489  1
  Fe  Fe329  1  0.208232  0.414404  0.713486  1
  Fe  Fe330  1  0.634975  0.763638  0.698489  1
  Fe  Fe331  1  0.953874  0.908519  0.724794  1
  Fe  Fe332  1  0.453874  0.908519  0.724794  1
  Fe  Fe333  1  0.376077  0.254961  0.710507  1
  Fe  Fe334  1  0.801494  0.601854  0.695466  1
  Fe  Fe335  1  0.876077  0.254961  0.710507  1
  Fe  Fe336  1  0.301494  0.601854  0.695466  1
  Fe  Fe337  1  0.395694  0.949798  0.681402  1
  Fe  Fe338  1  0.895694  0.949798  0.681402  1
  Fe  Fe339  1  0.543994  0.248748  0.711602  1
  Fe  Fe340  1  0.970370  0.598913  0.696795  1
  Fe  Fe341  1  0.043994  0.248748  0.711602  1
  Fe  Fe342  1  0.470370  0.598913  0.696795  1
  Fe  Fe343  1  0.946828  0.064766  0.725316  1
  Fe  Fe344  1  0.446828  0.064766  0.725316  1
  Fe  Fe345  1  0.371148  0.411077  0.710447  1
  Fe  Fe346  1  0.803668  0.768572  0.695838  1
  Fe  Fe347  1  0.871148  0.411077  0.710447  1
  Fe  Fe348  1  0.303668  0.768572  0.695838  1
  Fe  Fe349  1  0.114659  0.073968  0.726196  1
  Fe  Fe350  1  0.614659  0.073968  0.726196  1
  Fe  Fe351  1  0.541849  0.422568  0.711585  1
  Fe  Fe352  1  0.966534  0.772446  0.696880  1
  Fe  Fe353  1  0.041849  0.422568  0.711585  1
  Fe  Fe354  1  0.466534  0.772446  0.696880  1
  Fe  Fe355  1  0.057588  0.955571  0.682093  1
  Fe  Fe356  1  0.557588  0.955571  0.682093  1
  Fe  Fe357  1  0.207803  0.255473  0.712423  1
  Fe  Fe358  1  0.633368  0.605304  0.697668  1
  Fe  Fe359  1  0.707803  0.255473  0.712423  1
  Fe  Fe360  1  0.133368  0.605304  0.697668  1
  C  C361  1  0.636600  0.439170  0.294870  1
  C  C362  1  0.136600  0.439170  0.294870  1
  C  C363  1  0.064458  0.789956  0.279808  1
  C  C364  1  0.212019  0.092634  0.310754  1
  C  C365  1  0.564458  0.789956  0.279808  1
  C  C366  1  0.712019  0.092634  0.310754  1
  C  C367  1  0.878317  0.591219  0.310303  1
  C  C368  1  0.378317  0.591219  0.310303  1
  C  C369  1  0.305520  0.943537  0.295320  1
  C  C370  1  0.726525  0.291605  0.280333  1
  C  C371  1  0.805520  0.943537  0.295320  1
  C  C372  1  0.226525  0.291605  0.280333  1
  C  C373  1  0.362464  0.392340  0.341283  1
  C  C374  1  0.862464  0.392340  0.341283  1
  C  C375  1  0.787166  0.742097  0.325364  1
  C  C376  1  0.938525  0.042870  0.356323  1
  C  C377  1  0.287166  0.742097  0.325364  1
  C  C378  1  0.438525  0.042870  0.356323  1
  C  C379  1  0.605756  0.544124  0.356052  1
  C  C380  1  0.105756  0.544124  0.356052  1
  C  C381  1  0.030172  0.892842  0.340672  1
  C  C382  1  0.453785  0.242489  0.325942  1
  C  C383  1  0.530172  0.892842  0.340672  1
  C  C384  1  0.953785  0.242489  0.325942  1
  C  C385  1  0.089525  0.345793  0.386492  1
  C  C386  1  0.589525  0.345793  0.386492  1
  C  C387  1  0.513956  0.694356  0.370986  1
  C  C388  1  0.664845  0.995427  0.401496  1
  C  C389  1  0.013956  0.694356  0.370986  1
  C  C390  1  0.164845  0.995427  0.401496  1
  C  C391  1  0.331507  0.496323  0.401407  1
  C  C392  1  0.831507  0.496323  0.401407  1
  C  C393  1  0.755838  0.844497  0.386040  1
  C  C394  1  0.180500  0.194132  0.371432  1
  C  C395  1  0.255838  0.844497  0.386040  1
  C  C396  1  0.680500  0.194132  0.371432  1
  C  C397  1  0.815675  0.297831  0.431991  1
  C  C398  1  0.315675  0.297831  0.431991  1
  C  C399  1  0.240311  0.646933  0.416585  1
  C  C400  1  0.390722  0.947756  0.446910  1
  C  C401  1  0.740311  0.646933  0.416585  1
  C  C402  1  0.890722  0.947756  0.446910  1
  C  C403  1  0.057853  0.448676  0.447017  1
  C  C404  1  0.557853  0.448676  0.447017  1
  C  C405  1  0.482135  0.797223  0.431652  1
  C  C406  1  0.906922  0.146751  0.416738  1
  C  C407  1  0.982135  0.797223  0.431652  1
  C  C408  1  0.406922  0.146751  0.416738  1
  C  C409  1  0.541886  0.249941  0.477280  1
  C  C410  1  0.041886  0.249941  0.477280  1
  C  C411  1  0.966377  0.599210  0.462072  1
  C  C412  1  0.116952  0.900321  0.492349  1
  C  C413  1  0.466377  0.599210  0.462072  1
  C  C414  1  0.616952  0.900321  0.492349  1
  C  C415  1  0.784015  0.401013  0.492466  1
  C  C416  1  0.284015  0.401013  0.492466  1
  C  C417  1  0.208329  0.749836  0.477218  1
  C  C418  1  0.633034  0.098905  0.462104  1
  C  C419  1  0.708329  0.749836  0.477218  1
  C  C420  1  0.133034  0.098905  0.462104  1
  C  C421  1  0.267978  0.202123  0.522679  1
  C  C422  1  0.767978  0.202123  0.522679  1
  C  C423  1  0.692663  0.551743  0.507610  1
  C  C424  1  0.843201  0.852855  0.537887  1
  C  C425  1  0.192663  0.551743  0.507610  1
  C  C426  1  0.343201  0.852855  0.537887  1
  C  C427  1  0.510163  0.353160  0.537855  1
  C  C428  1  0.010163  0.353160  0.537855  1
  C  C429  1  0.934526  0.702229  0.522741  1
  C  C430  1  0.359034  0.051051  0.507493  1
  C  C431  1  0.434526  0.702229  0.522741  1
  C  C432  1  0.859034  0.051051  0.507493  1
  C  C433  1  0.993878  0.154233  0.567968  1
  C  C434  1  0.493878  0.154233  0.567968  1
  C  C435  1  0.418999  0.504308  0.553049  1
  C  C436  1  0.569413  0.805132  0.583374  1
  C  C437  1  0.918999  0.504308  0.553049  1
  C  C438  1  0.069413  0.805132  0.583374  1
  C  C439  1  0.236206  0.305314  0.583221  1
  C  C440  1  0.736206  0.305314  0.583221  1
  C  C441  1  0.660946  0.654842  0.568307  1
  C  C442  1  0.085211  0.003388  0.552942  1
  C  C443  1  0.160946  0.654842  0.568307  1
  C  C444  1  0.585211  0.003388  0.552942  1
  C  C445  1  0.719768  0.106272  0.613467  1
  C  C446  1  0.219768  0.106272  0.613467  1
  C  C447  1  0.145452  0.456637  0.598463  1
  C  C448  1  0.295635  0.757708  0.628973  1
  C  C449  1  0.645452  0.456637  0.598463  1
  C  C450  1  0.795635  0.757708  0.628973  1
  C  C451  1  0.962404  0.257932  0.628527  1
  C  C452  1  0.462404  0.257932  0.628527  1
  C  C453  1  0.387377  0.607568  0.613918  1
  C  C454  1  0.811219  0.955741  0.598552  1
  C  C455  1  0.887377  0.607568  0.613918  1
  C  C456  1  0.311219  0.955741  0.598552  1
  C  C457  1  0.446161  0.059725  0.658676  1
  C  C458  1  0.946161  0.059725  0.658676  1
  C  C459  1  0.871691  0.409195  0.643636  1
  C  C460  1  0.021104  0.709966  0.674595  1
  C  C461  1  0.371691  0.409195  0.643636  1
  C  C462  1  0.521104  0.709966  0.674595  1
  C  C463  1  0.687333  0.209575  0.674017  1
  C  C464  1  0.187333  0.209575  0.674017  1
  C  C465  1  0.113367  0.559223  0.659287  1
  C  C466  1  0.537668  0.907940  0.643908  1
  C  C467  1  0.613367  0.559223  0.659287  1
  C  C468  1  0.037668  0.907940  0.643908  1
  C  C469  1  0.173466  0.012893  0.705089  1
  C  C470  1  0.673466  0.012893  0.705089  1
  C  C471  1  0.595421  0.359430  0.689205  1
  C  C472  1  0.750538  0.662107  0.720151  1
  C  C473  1  0.095421  0.359430  0.689205  1
  C  C474  1  0.250538  0.662107  0.720151  1
  C  C475  1  0.410961  0.160464  0.719626  1
  C  C476  1  0.910961  0.160464  0.719626  1
  C  C477  1  0.838021  0.508526  0.704639  1
  C  C478  1  0.263137  0.860847  0.689656  1
  C  C479  1  0.338021  0.508526  0.704639  1
  C  C480  1  0.763137  0.860847  0.689656  1
