# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.40890838
_cell_length_b   16.59776633
_cell_length_c   48.17549254
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.69306582
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe432 C216'
_cell_volume   13577.8189131
_cell_formula_units_Z   216
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  0.944452  0.703079  0.306691  1
  Fe  Fe2  1  0.812202  0.612220  0.330526  1
  Fe  Fe3  1  0.611119  0.703079  0.306691  1
  Fe  Fe4  1  0.680457  0.521435  0.354317  1
  Fe  Fe5  1  0.478869  0.612220  0.330526  1
  Fe  Fe6  1  0.444452  0.203079  0.306691  1
  Fe  Fe7  1  0.277786  0.703079  0.306691  1
  Fe  Fe8  1  0.347124  0.521435  0.354317  1
  Fe  Fe9  1  0.312202  0.112220  0.330526  1
  Fe  Fe10  1  0.145535  0.612220  0.330526  1
  Fe  Fe11  1  0.111119  0.203079  0.306691  1
  Fe  Fe12  1  0.180457  0.021435  0.354317  1
  Fe  Fe13  1  0.013791  0.521435  0.354317  1
  Fe  Fe14  1  0.978869  0.112220  0.330526  1
  Fe  Fe15  1  0.777786  0.203079  0.306691  1
  Fe  Fe16  1  0.847124  0.021435  0.354317  1
  Fe  Fe17  1  0.645535  0.112220  0.330526  1
  Fe  Fe18  1  0.513791  0.021435  0.354317  1
  Fe  Fe19  1  0.919534  0.548015  0.288953  1
  Fe  Fe20  1  0.786340  0.454228  0.312270  1
  Fe  Fe21  1  0.586201  0.548015  0.288953  1
  Fe  Fe22  1  0.654309  0.363713  0.335947  1
  Fe  Fe23  1  0.453007  0.454228  0.312270  1
  Fe  Fe24  1  0.419534  0.048015  0.288953  1
  Fe  Fe25  1  0.252868  0.548015  0.288953  1
  Fe  Fe26  1  0.320976  0.363713  0.335947  1
  Fe  Fe27  1  0.286340  0.954228  0.312270  1
  Fe  Fe28  1  0.119674  0.454228  0.312270  1
  Fe  Fe29  1  0.086201  0.048015  0.288953  1
  Fe  Fe30  1  0.154309  0.863713  0.335947  1
  Fe  Fe31  1  0.987642  0.363713  0.335947  1
  Fe  Fe32  1  0.953007  0.954228  0.312270  1
  Fe  Fe33  1  0.752868  0.048015  0.288953  1
  Fe  Fe34  1  0.820976  0.863713  0.335947  1
  Fe  Fe35  1  0.619674  0.954228  0.312270  1
  Fe  Fe36  1  0.487642  0.863713  0.335947  1
  Fe  Fe37  1  0.917963  0.577551  0.346203  1
  Fe  Fe38  1  0.683487  0.258228  0.298899  1
  Fe  Fe39  1  0.584629  0.577551  0.346203  1
  Fe  Fe40  1  0.550534  0.167281  0.321744  1
  Fe  Fe41  1  0.350153  0.258228  0.298899  1
  Fe  Fe42  1  0.417963  0.077551  0.346203  1
  Fe  Fe43  1  0.251296  0.577551  0.346203  1
  Fe  Fe44  1  0.217200  0.167281  0.321744  1
  Fe  Fe45  1  0.183487  0.758228  0.298899  1
  Fe  Fe46  1  0.016820  0.258228  0.298899  1
  Fe  Fe47  1  0.084629  0.077551  0.346203  1
  Fe  Fe48  1  0.050534  0.667281  0.321744  1
  Fe  Fe49  1  0.883867  0.167281  0.321744  1
  Fe  Fe50  1  0.850153  0.758228  0.298899  1
  Fe  Fe51  1  0.751296  0.077551  0.346203  1
  Fe  Fe52  1  0.717200  0.667281  0.321744  1
  Fe  Fe53  1  0.516820  0.758228  0.298899  1
  Fe  Fe54  1  0.383867  0.667281  0.321744  1
  Fe  Fe55  1  0.916591  0.807920  0.344666  1
  Fe  Fe56  1  0.682150  0.488681  0.298141  1
  Fe  Fe57  1  0.583257  0.807920  0.344666  1
  Fe  Fe58  1  0.548965  0.397681  0.321147  1
  Fe  Fe59  1  0.348817  0.488681  0.298141  1
  Fe  Fe60  1  0.416591  0.307920  0.344666  1
  Fe  Fe61  1  0.249924  0.807920  0.344666  1
  Fe  Fe62  1  0.215632  0.397681  0.321147  1
  Fe  Fe63  1  0.182150  0.988681  0.298141  1
  Fe  Fe64  1  0.015484  0.488681  0.298141  1
  Fe  Fe65  1  0.083257  0.307920  0.344666  1
  Fe  Fe66  1  0.048965  0.897681  0.321147  1
  Fe  Fe67  1  0.882299  0.397681  0.321147  1
  Fe  Fe68  1  0.848817  0.988681  0.298141  1
  Fe  Fe69  1  0.749924  0.307920  0.344666  1
  Fe  Fe70  1  0.715632  0.897681  0.321147  1
  Fe  Fe71  1  0.515484  0.988681  0.298141  1
  Fe  Fe72  1  0.382299  0.897681  0.321147  1
  Fe  Fe73  1  0.048047  0.931510  0.378066  1
  Fe  Fe74  1  0.915923  0.841451  0.401836  1
  Fe  Fe75  1  0.714714  0.931510  0.378066  1
  Fe  Fe76  1  0.783790  0.751261  0.425638  1
  Fe  Fe77  1  0.582589  0.841451  0.401836  1
  Fe  Fe78  1  0.548047  0.431510  0.378066  1
  Fe  Fe79  1  0.381381  0.931510  0.378066  1
  Fe  Fe80  1  0.450457  0.751261  0.425638  1
  Fe  Fe81  1  0.415923  0.341451  0.401836  1
  Fe  Fe82  1  0.249256  0.841451  0.401836  1
  Fe  Fe83  1  0.214714  0.431510  0.378066  1
  Fe  Fe84  1  0.283790  0.251261  0.425638  1
  Fe  Fe85  1  0.117123  0.751261  0.425638  1
  Fe  Fe86  1  0.082589  0.341451  0.401836  1
  Fe  Fe87  1  0.881381  0.431510  0.378066  1
  Fe  Fe88  1  0.950457  0.251261  0.425638  1
  Fe  Fe89  1  0.749256  0.341451  0.401836  1
  Fe  Fe90  1  0.617123  0.251261  0.425638  1
  Fe  Fe91  1  0.022018  0.773533  0.359795  1
  Fe  Fe92  1  0.889797  0.684018  0.383841  1
  Fe  Fe93  1  0.688685  0.773533  0.359795  1
  Fe  Fe94  1  0.757408  0.593468  0.407654  1
  Fe  Fe95  1  0.556464  0.684018  0.383841  1
  Fe  Fe96  1  0.522018  0.273533  0.359795  1
  Fe  Fe97  1  0.355352  0.773533  0.359795  1
  Fe  Fe98  1  0.424075  0.593468  0.407654  1
  Fe  Fe99  1  0.389797  0.184018  0.383841  1
  Fe  Fe100  1  0.223131  0.684018  0.383841  1
  Fe  Fe101  1  0.188685  0.273533  0.359795  1
  Fe  Fe102  1  0.257408  0.093468  0.407654  1
  Fe  Fe103  1  0.090742  0.593468  0.407654  1
  Fe  Fe104  1  0.056464  0.184018  0.383841  1
  Fe  Fe105  1  0.855352  0.273533  0.359795  1
  Fe  Fe106  1  0.924075  0.093468  0.407654  1
  Fe  Fe107  1  0.723131  0.184018  0.383841  1
  Fe  Fe108  1  0.590742  0.093468  0.407654  1
  Fe  Fe109  1  0.021510  0.807044  0.417157  1
  Fe  Fe110  1  0.785708  0.487272  0.369476  1
  Fe  Fe111  1  0.688177  0.807044  0.417157  1
  Fe  Fe112  1  0.653703  0.397127  0.393324  1
  Fe  Fe113  1  0.452375  0.487272  0.369476  1
  Fe  Fe114  1  0.521510  0.307044  0.417157  1
  Fe  Fe115  1  0.354844  0.807044  0.417157  1
  Fe  Fe116  1  0.320370  0.397127  0.393324  1
  Fe  Fe117  1  0.285708  0.987272  0.369476  1
  Fe  Fe118  1  0.119041  0.487272  0.369476  1
  Fe  Fe119  1  0.188177  0.307044  0.417157  1
  Fe  Fe120  1  0.153703  0.897127  0.393324  1
  Fe  Fe121  1  0.987037  0.397127  0.393324  1
  Fe  Fe122  1  0.952375  0.987272  0.369476  1
  Fe  Fe123  1  0.854844  0.307044  0.417157  1
  Fe  Fe124  1  0.820370  0.897127  0.393324  1
  Fe  Fe125  1  0.619041  0.987272  0.369476  1
  Fe  Fe126  1  0.487037  0.897127  0.393324  1
  Fe  Fe127  1  0.019958  0.037428  0.416136  1
  Fe  Fe128  1  0.784153  0.717654  0.368445  1
  Fe  Fe129  1  0.686625  0.037428  0.416136  1
  Fe  Fe130  1  0.652154  0.627512  0.392376  1
  Fe  Fe131  1  0.450819  0.717654  0.368445  1
  Fe  Fe132  1  0.519958  0.537428  0.416136  1
  Fe  Fe133  1  0.353292  0.037428  0.416136  1
  Fe  Fe134  1  0.318820  0.627512  0.392376  1
  Fe  Fe135  1  0.284153  0.217654  0.368445  1
  Fe  Fe136  1  0.117486  0.717654  0.368445  1
  Fe  Fe137  1  0.186625  0.537428  0.416136  1
  Fe  Fe138  1  0.152154  0.127512  0.392376  1
  Fe  Fe139  1  0.985487  0.627512  0.392376  1
  Fe  Fe140  1  0.950819  0.217654  0.368445  1
  Fe  Fe141  1  0.853292  0.537428  0.416136  1
  Fe  Fe142  1  0.818820  0.127512  0.392376  1
  Fe  Fe143  1  0.617486  0.217654  0.368445  1
  Fe  Fe144  1  0.485487  0.127512  0.392376  1
  Fe  Fe145  1  0.151684  0.160844  0.449496  1
  Fe  Fe146  1  0.019511  0.070700  0.473315  1
  Fe  Fe147  1  0.818351  0.160844  0.449496  1
  Fe  Fe148  1  0.887312  0.980600  0.497149  1
  Fe  Fe149  1  0.686178  0.070700  0.473315  1
  Fe  Fe150  1  0.651684  0.660844  0.449496  1
  Fe  Fe151  1  0.485018  0.160844  0.449496  1
  Fe  Fe152  1  0.553979  0.980600  0.497149  1
  Fe  Fe153  1  0.519511  0.570700  0.473315  1
  Fe  Fe154  1  0.352844  0.070700  0.473315  1
  Fe  Fe155  1  0.318351  0.660844  0.449496  1
  Fe  Fe156  1  0.387312  0.480600  0.497149  1
  Fe  Fe157  1  0.220645  0.980600  0.497149  1
  Fe  Fe158  1  0.186178  0.570700  0.473315  1
  Fe  Fe159  1  0.985018  0.660844  0.449496  1
  Fe  Fe160  1  0.053979  0.480600  0.497149  1
  Fe  Fe161  1  0.852844  0.570700  0.473315  1
  Fe  Fe162  1  0.720645  0.480600  0.497149  1
  Fe  Fe163  1  0.125329  0.003082  0.431405  1
  Fe  Fe164  1  0.993211  0.912949  0.455190  1
  Fe  Fe165  1  0.791996  0.003082  0.431405  1
  Fe  Fe166  1  0.861157  0.822875  0.478971  1
  Fe  Fe167  1  0.659878  0.912949  0.455190  1
  Fe  Fe168  1  0.625329  0.503082  0.431405  1
  Fe  Fe169  1  0.458662  0.003082  0.431405  1
  Fe  Fe170  1  0.527824  0.822875  0.478971  1
  Fe  Fe171  1  0.493211  0.412949  0.455190  1
  Fe  Fe172  1  0.326544  0.912949  0.455190  1
  Fe  Fe173  1  0.291996  0.503082  0.431405  1
  Fe  Fe174  1  0.361157  0.322875  0.478971  1
  Fe  Fe175  1  0.194490  0.822875  0.478971  1
  Fe  Fe176  1  0.159878  0.412949  0.455190  1
  Fe  Fe177  1  0.958662  0.503082  0.431405  1
  Fe  Fe178  1  0.027824  0.322875  0.478971  1
  Fe  Fe179  1  0.826544  0.412949  0.455190  1
  Fe  Fe180  1  0.694490  0.322875  0.478971  1
  Fe  Fe181  1  0.125008  0.036565  0.488608  1
  Fe  Fe182  1  0.889334  0.716885  0.441004  1
  Fe  Fe183  1  0.791675  0.036565  0.488608  1
  Fe  Fe184  1  0.757124  0.626688  0.464801  1
  Fe  Fe185  1  0.556001  0.716885  0.441004  1
  Fe  Fe186  1  0.625008  0.536565  0.488608  1
  Fe  Fe187  1  0.458342  0.036565  0.488608  1
  Fe  Fe188  1  0.423791  0.626688  0.464801  1
  Fe  Fe189  1  0.389334  0.216885  0.441004  1
  Fe  Fe190  1  0.222668  0.716885  0.441004  1
  Fe  Fe191  1  0.291675  0.536565  0.488608  1
  Fe  Fe192  1  0.257124  0.126688  0.464801  1
  Fe  Fe193  1  0.090458  0.626688  0.464801  1
  Fe  Fe194  1  0.056001  0.216885  0.441004  1
  Fe  Fe195  1  0.958342  0.536565  0.488608  1
  Fe  Fe196  1  0.923791  0.126688  0.464801  1
  Fe  Fe197  1  0.722668  0.216885  0.441004  1
  Fe  Fe198  1  0.590458  0.126688  0.464801  1
  Fe  Fe199  1  0.123454  0.266947  0.487511  1
  Fe  Fe200  1  0.887783  0.947268  0.439926  1
  Fe  Fe201  1  0.790121  0.266947  0.487511  1
  Fe  Fe202  1  0.755572  0.857070  0.463710  1
  Fe  Fe203  1  0.554450  0.947268  0.439926  1
  Fe  Fe204  1  0.623454  0.766947  0.487511  1
  Fe  Fe205  1  0.456788  0.266947  0.487511  1
  Fe  Fe206  1  0.422239  0.857070  0.463710  1
  Fe  Fe207  1  0.387783  0.447268  0.439926  1
  Fe  Fe208  1  0.221117  0.947268  0.439926  1
  Fe  Fe209  1  0.290121  0.766947  0.487511  1
  Fe  Fe210  1  0.255572  0.357070  0.463710  1
  Fe  Fe211  1  0.088905  0.857070  0.463710  1
  Fe  Fe212  1  0.054450  0.447268  0.439926  1
  Fe  Fe213  1  0.956788  0.766947  0.487511  1
  Fe  Fe214  1  0.922239  0.357070  0.463710  1
  Fe  Fe215  1  0.721117  0.447268  0.439926  1
  Fe  Fe216  1  0.588905  0.357070  0.463710  1
  Fe  Fe217  1  0.255162  0.390489  0.520948  1
  Fe  Fe218  1  0.123107  0.300415  0.544729  1
  Fe  Fe219  1  0.921828  0.390489  0.520948  1
  Fe  Fe220  1  0.990989  0.210283  0.568514  1
  Fe  Fe221  1  0.789774  0.300415  0.544729  1
  Fe  Fe222  1  0.755162  0.890489  0.520948  1
  Fe  Fe223  1  0.588495  0.390489  0.520948  1
  Fe  Fe224  1  0.657656  0.210283  0.568514  1
  Fe  Fe225  1  0.623107  0.800415  0.544729  1
  Fe  Fe226  1  0.456441  0.300415  0.544729  1
  Fe  Fe227  1  0.421828  0.890489  0.520948  1
  Fe  Fe228  1  0.490989  0.710283  0.568514  1
  Fe  Fe229  1  0.324323  0.210283  0.568514  1
  Fe  Fe230  1  0.289774  0.800415  0.544729  1
  Fe  Fe231  1  0.088495  0.890489  0.520948  1
  Fe  Fe232  1  0.157656  0.710283  0.568514  1
  Fe  Fe233  1  0.956441  0.800415  0.544729  1
  Fe  Fe234  1  0.824323  0.710283  0.568514  1
  Fe  Fe235  1  0.229006  0.232764  0.502770  1
  Fe  Fe236  1  0.096807  0.142664  0.526604  1
  Fe  Fe237  1  0.895673  0.232764  0.502770  1
  Fe  Fe238  1  0.964634  0.052520  0.550423  1
  Fe  Fe239  1  0.763474  0.142664  0.526604  1
  Fe  Fe240  1  0.729006  0.732764  0.502770  1
  Fe  Fe241  1  0.562340  0.232764  0.502770  1
  Fe  Fe242  1  0.631301  0.052520  0.550423  1
  Fe  Fe243  1  0.596807  0.642664  0.526604  1
  Fe  Fe244  1  0.430141  0.142664  0.526604  1
  Fe  Fe245  1  0.395673  0.732764  0.502770  1
  Fe  Fe246  1  0.464634  0.552520  0.550423  1
  Fe  Fe247  1  0.297967  0.052520  0.550423  1
  Fe  Fe248  1  0.263474  0.642664  0.526604  1
  Fe  Fe249  1  0.062340  0.732764  0.502770  1
  Fe  Fe250  1  0.131301  0.552520  0.550423  1
  Fe  Fe251  1  0.930141  0.642664  0.526604  1
  Fe  Fe252  1  0.797967  0.552520  0.550423  1
  Fe  Fe253  1  0.228535  0.266096  0.559992  1
  Fe  Fe254  1  0.992864  0.946417  0.512407  1
  Fe  Fe255  1  0.895202  0.266096  0.559992  1
  Fe  Fe256  1  0.860746  0.856295  0.536208  1
  Fe  Fe257  1  0.659531  0.946417  0.512407  1
  Fe  Fe258  1  0.728535  0.766096  0.559992  1
  Fe  Fe259  1  0.561868  0.266096  0.559992  1
  Fe  Fe260  1  0.527413  0.856295  0.536208  1
  Fe  Fe261  1  0.492864  0.446417  0.512407  1
  Fe  Fe262  1  0.326197  0.946417  0.512407  1
  Fe  Fe263  1  0.395202  0.766096  0.559992  1
  Fe  Fe264  1  0.360746  0.356295  0.536208  1
  Fe  Fe265  1  0.194080  0.856295  0.536208  1
  Fe  Fe266  1  0.159531  0.446417  0.512407  1
  Fe  Fe267  1  0.061868  0.766096  0.559992  1
  Fe  Fe268  1  0.027413  0.356295  0.536208  1
  Fe  Fe269  1  0.826197  0.446417  0.512407  1
  Fe  Fe270  1  0.694080  0.356295  0.536208  1
  Fe  Fe271  1  0.226984  0.496479  0.558915  1
  Fe  Fe272  1  0.991310  0.176799  0.511311  1
  Fe  Fe273  1  0.893651  0.496479  0.558915  1
  Fe  Fe274  1  0.859194  0.086676  0.535117  1
  Fe  Fe275  1  0.657977  0.176799  0.511311  1
  Fe  Fe276  1  0.726984  0.996479  0.558915  1
  Fe  Fe277  1  0.560317  0.496479  0.558915  1
  Fe  Fe278  1  0.525861  0.086676  0.535117  1
  Fe  Fe279  1  0.491310  0.676799  0.511311  1
  Fe  Fe280  1  0.324643  0.176799  0.511311  1
  Fe  Fe281  1  0.393651  0.996479  0.558915  1
  Fe  Fe282  1  0.359194  0.586676  0.535117  1
  Fe  Fe283  1  0.192527  0.086676  0.535117  1
  Fe  Fe284  1  0.157977  0.676799  0.511311  1
  Fe  Fe285  1  0.060317  0.996479  0.558915  1
  Fe  Fe286  1  0.025861  0.586676  0.535117  1
  Fe  Fe287  1  0.824643  0.676799  0.511311  1
  Fe  Fe288  1  0.692527  0.586676  0.535117  1
  Fe  Fe289  1  0.358910  0.619896  0.592265  1
  Fe  Fe290  1  0.226521  0.529346  0.616078  1
  Fe  Fe291  1  0.025577  0.619896  0.592265  1
  Fe  Fe292  1  0.094300  0.439832  0.640124  1
  Fe  Fe293  1  0.893188  0.529346  0.616078  1
  Fe  Fe294  1  0.858910  0.119896  0.592265  1
  Fe  Fe295  1  0.692243  0.619896  0.592265  1
  Fe  Fe296  1  0.760967  0.439832  0.640124  1
  Fe  Fe297  1  0.726521  0.029346  0.616078  1
  Fe  Fe298  1  0.559854  0.529346  0.616078  1
  Fe  Fe299  1  0.525577  0.119896  0.592265  1
  Fe  Fe300  1  0.594300  0.939832  0.640124  1
  Fe  Fe301  1  0.427633  0.439832  0.640124  1
  Fe  Fe302  1  0.393188  0.029346  0.616078  1
  Fe  Fe303  1  0.192243  0.119896  0.592265  1
  Fe  Fe304  1  0.260967  0.939832  0.640124  1
  Fe  Fe305  1  0.059854  0.029346  0.616078  1
  Fe  Fe306  1  0.927633  0.939832  0.640124  1
  Fe  Fe307  1  0.332528  0.462103  0.574280  1
  Fe  Fe308  1  0.200396  0.371913  0.598082  1
  Fe  Fe309  1  0.999195  0.462103  0.574280  1
  Fe  Fe310  1  0.068271  0.281854  0.621853  1
  Fe  Fe311  1  0.867062  0.371913  0.598082  1
  Fe  Fe312  1  0.832528  0.962103  0.574280  1
  Fe  Fe313  1  0.665862  0.462103  0.574280  1
  Fe  Fe314  1  0.734938  0.281854  0.621853  1
  Fe  Fe315  1  0.700396  0.871913  0.598082  1
  Fe  Fe316  1  0.533729  0.371913  0.598082  1
  Fe  Fe317  1  0.499195  0.962103  0.574280  1
  Fe  Fe318  1  0.568271  0.781854  0.621853  1
  Fe  Fe319  1  0.401604  0.281854  0.621853  1
  Fe  Fe320  1  0.367062  0.871913  0.598082  1
  Fe  Fe321  1  0.165862  0.962103  0.574280  1
  Fe  Fe322  1  0.234938  0.781854  0.621853  1
  Fe  Fe323  1  0.033729  0.871913  0.598082  1
  Fe  Fe324  1  0.901604  0.781854  0.621853  1
  Fe  Fe325  1  0.332166  0.495710  0.631474  1
  Fe  Fe326  1  0.096360  0.175936  0.583783  1
  Fe  Fe327  1  0.998832  0.495710  0.631474  1
  Fe  Fe328  1  0.964165  0.085852  0.607543  1
  Fe  Fe329  1  0.763027  0.175936  0.583783  1
  Fe  Fe330  1  0.832166  0.995710  0.631474  1
  Fe  Fe331  1  0.665499  0.495710  0.631474  1
  Fe  Fe332  1  0.630831  0.085852  0.607543  1
  Fe  Fe333  1  0.596360  0.675936  0.583783  1
  Fe  Fe334  1  0.429693  0.175936  0.583783  1
  Fe  Fe335  1  0.498832  0.995710  0.631474  1
  Fe  Fe336  1  0.464165  0.585852  0.607543  1
  Fe  Fe337  1  0.297498  0.085852  0.607543  1
  Fe  Fe338  1  0.263027  0.675936  0.583783  1
  Fe  Fe339  1  0.165499  0.995710  0.631474  1
  Fe  Fe340  1  0.130831  0.585852  0.607543  1
  Fe  Fe341  1  0.929693  0.675936  0.583783  1
  Fe  Fe342  1  0.797498  0.585852  0.607543  1
  Fe  Fe343  1  0.330610  0.726092  0.630443  1
  Fe  Fe344  1  0.094808  0.406320  0.582762  1
  Fe  Fe345  1  0.997277  0.726092  0.630443  1
  Fe  Fe346  1  0.962615  0.316237  0.606594  1
  Fe  Fe347  1  0.761475  0.406320  0.582762  1
  Fe  Fe348  1  0.830610  0.226092  0.630443  1
  Fe  Fe349  1  0.663944  0.726092  0.630443  1
  Fe  Fe350  1  0.629282  0.316237  0.606594  1
  Fe  Fe351  1  0.594808  0.906320  0.582762  1
  Fe  Fe352  1  0.428141  0.406320  0.582762  1
  Fe  Fe353  1  0.497277  0.226092  0.630443  1
  Fe  Fe354  1  0.462615  0.816237  0.606594  1
  Fe  Fe355  1  0.295948  0.316237  0.606594  1
  Fe  Fe356  1  0.261475  0.906320  0.582762  1
  Fe  Fe357  1  0.163944  0.226092  0.630443  1
  Fe  Fe358  1  0.129282  0.816237  0.606594  1
  Fe  Fe359  1  0.928141  0.906320  0.582762  1
  Fe  Fe360  1  0.795948  0.816237  0.606594  1
  Fe  Fe361  1  0.462009  0.849651  0.663972  1
  Fe  Fe362  1  0.329978  0.759136  0.687649  1
  Fe  Fe363  1  0.128676  0.849651  0.663972  1
  Fe  Fe364  1  0.196784  0.665349  0.710966  1
  Fe  Fe365  1  0.996645  0.759136  0.687649  1
  Fe  Fe366  1  0.962009  0.349651  0.663972  1
  Fe  Fe367  1  0.795343  0.849651  0.663972  1
  Fe  Fe368  1  0.863451  0.665349  0.710966  1
  Fe  Fe369  1  0.829978  0.259136  0.687649  1
  Fe  Fe370  1  0.663311  0.759136  0.687649  1
  Fe  Fe371  1  0.628676  0.349651  0.663972  1
  Fe  Fe372  1  0.696784  0.165349  0.710966  1
  Fe  Fe373  1  0.530117  0.665349  0.710966  1
  Fe  Fe374  1  0.496645  0.259136  0.687649  1
  Fe  Fe375  1  0.295343  0.349651  0.663972  1
  Fe  Fe376  1  0.363451  0.165349  0.710966  1
  Fe  Fe377  1  0.163311  0.259136  0.687649  1
  Fe  Fe378  1  0.030117  0.165349  0.710966  1
  Fe  Fe379  1  0.435861  0.691929  0.645602  1
  Fe  Fe380  1  0.304116  0.601144  0.669393  1
  Fe  Fe381  1  0.102528  0.691929  0.645602  1
  Fe  Fe382  1  0.171866  0.510286  0.693227  1
  Fe  Fe383  1  0.970783  0.601144  0.669393  1
  Fe  Fe384  1  0.935861  0.191929  0.645602  1
  Fe  Fe385  1  0.769194  0.691929  0.645602  1
  Fe  Fe386  1  0.838533  0.510286  0.693227  1
  Fe  Fe387  1  0.804116  0.101144  0.669393  1
  Fe  Fe388  1  0.637450  0.601144  0.669393  1
  Fe  Fe389  1  0.602528  0.191929  0.645602  1
  Fe  Fe390  1  0.671866  0.010286  0.693227  1
  Fe  Fe391  1  0.505199  0.510286  0.693227  1
  Fe  Fe392  1  0.470783  0.101144  0.669393  1
  Fe  Fe393  1  0.269194  0.191929  0.645602  1
  Fe  Fe394  1  0.338533  0.010286  0.693227  1
  Fe  Fe395  1  0.137450  0.101144  0.669393  1
  Fe  Fe396  1  0.005199  0.010286  0.693227  1
  Fe  Fe397  1  0.434168  0.724683  0.701778  1
  Fe  Fe398  1  0.199728  0.405444  0.655253  1
  Fe  Fe399  1  0.100835  0.724683  0.701778  1
  Fe  Fe400  1  0.067353  0.315683  0.678772  1
  Fe  Fe401  1  0.866394  0.405444  0.655253  1
  Fe  Fe402  1  0.934168  0.224683  0.701778  1
  Fe  Fe403  1  0.767501  0.724683  0.701778  1
  Fe  Fe404  1  0.734020  0.315683  0.678772  1
  Fe  Fe405  1  0.699728  0.905444  0.655253  1
  Fe  Fe406  1  0.533061  0.405444  0.655253  1
  Fe  Fe407  1  0.600835  0.224683  0.701778  1
  Fe  Fe408  1  0.567353  0.815683  0.678772  1
  Fe  Fe409  1  0.400686  0.315683  0.678772  1
  Fe  Fe410  1  0.366394  0.905444  0.655253  1
  Fe  Fe411  1  0.267501  0.224683  0.701778  1
  Fe  Fe412  1  0.234020  0.815683  0.678772  1
  Fe  Fe413  1  0.033061  0.905444  0.655253  1
  Fe  Fe414  1  0.900686  0.815683  0.678772  1
  Fe  Fe415  1  0.432832  0.955137  0.701020  1
  Fe  Fe416  1  0.198356  0.635813  0.653715  1
  Fe  Fe417  1  0.099499  0.955137  0.701020  1
  Fe  Fe418  1  0.065785  0.546083  0.678175  1
  Fe  Fe419  1  0.865022  0.635813  0.653715  1
  Fe  Fe420  1  0.932832  0.455137  0.701020  1
  Fe  Fe421  1  0.766165  0.955137  0.701020  1
  Fe  Fe422  1  0.732451  0.546083  0.678175  1
  Fe  Fe423  1  0.698356  0.135813  0.653715  1
  Fe  Fe424  1  0.531689  0.635813  0.653715  1
  Fe  Fe425  1  0.599499  0.455137  0.701020  1
  Fe  Fe426  1  0.565785  0.046083  0.678175  1
  Fe  Fe427  1  0.399118  0.546083  0.678175  1
  Fe  Fe428  1  0.365022  0.135813  0.653715  1
  Fe  Fe429  1  0.266165  0.455137  0.701020  1
  Fe  Fe430  1  0.232451  0.046083  0.678175  1
  Fe  Fe431  1  0.031689  0.135813  0.653715  1
  Fe  Fe432  1  0.899118  0.046083  0.678175  1
  C  C433  1  0.000569  0.942783  0.345142  1
  C  C434  1  0.765833  0.623643  0.297296  1
  C  C435  1  0.667235  0.942783  0.345142  1
  C  C436  1  0.632206  0.532874  0.321658  1
  C  C437  1  0.432500  0.623643  0.297296  1
  C  C438  1  0.500569  0.442783  0.345142  1
  C  C439  1  0.333902  0.942783  0.345142  1
  C  C440  1  0.298872  0.532874  0.321658  1
  C  C441  1  0.265833  0.123643  0.297296  1
  C  C442  1  0.099167  0.623643  0.297296  1
  C  C443  1  0.167235  0.442783  0.345142  1
  C  C444  1  0.132206  0.032874  0.321658  1
  C  C445  1  0.965539  0.532874  0.321658  1
  C  C446  1  0.932500  0.123643  0.297296  1
  C  C447  1  0.833902  0.442783  0.345142  1
  C  C448  1  0.798872  0.032874  0.321658  1
  C  C449  1  0.599167  0.123643  0.297296  1
  C  C450  1  0.465539  0.032874  0.321658  1
  C  C451  1  0.917014  0.692497  0.345284  1
  C  C452  1  0.681797  0.372716  0.297390  1
  C  C453  1  0.583681  0.692497  0.345284  1
  C  C454  1  0.549540  0.282330  0.321253  1
  C  C455  1  0.348464  0.372716  0.297390  1
  C  C456  1  0.417014  0.192497  0.345284  1
  C  C457  1  0.250347  0.692497  0.345284  1
  C  C458  1  0.216206  0.282330  0.321253  1
  C  C459  1  0.181797  0.872716  0.297390  1
  C  C460  1  0.015130  0.372716  0.297390  1
  C  C461  1  0.083681  0.192497  0.345284  1
  C  C462  1  0.049540  0.782330  0.321253  1
  C  C463  1  0.882873  0.282330  0.321253  1
  C  C464  1  0.848464  0.872716  0.297390  1
  C  C465  1  0.750347  0.192497  0.345284  1
  C  C466  1  0.716206  0.782330  0.321253  1
  C  C467  1  0.515130  0.872716  0.297390  1
  C  C468  1  0.382873  0.782330  0.321253  1
  C  C469  1  0.104037  0.172252  0.416649  1
  C  C470  1  0.868282  0.852458  0.368920  1
  C  C471  1  0.770703  0.172252  0.416649  1
  C  C472  1  0.736108  0.762398  0.392753  1
  C  C473  1  0.534949  0.852458  0.368920  1
  C  C474  1  0.604037  0.672252  0.416649  1
  C  C475  1  0.437370  0.172252  0.416649  1
  C  C476  1  0.402775  0.762398  0.392753  1
  C  C477  1  0.368282  0.352458  0.368920  1
  C  C478  1  0.201616  0.852458  0.368920  1
  C  C479  1  0.270703  0.672252  0.416649  1
  C  C480  1  0.236108  0.262398  0.392753  1
  C  C481  1  0.069441  0.762398  0.392753  1
  C  C482  1  0.034949  0.352458  0.368920  1
  C  C483  1  0.937370  0.672252  0.416649  1
  C  C484  1  0.902775  0.262398  0.392753  1
  C  C485  1  0.701616  0.352458  0.368920  1
  C  C486  1  0.569441  0.262398  0.392753  1
  C  C487  1  0.020626  0.922160  0.416629  1
  C  C488  1  0.785082  0.602577  0.369127  1
  C  C489  1  0.687292  0.922160  0.416629  1
  C  C490  1  0.652772  0.512209  0.392850  1
  C  C491  1  0.451749  0.602577  0.369127  1
  C  C492  1  0.520626  0.422160  0.416629  1
  C  C493  1  0.353959  0.922160  0.416629  1
  C  C494  1  0.319439  0.512209  0.392850  1
  C  C495  1  0.285082  0.102577  0.369127  1
  C  C496  1  0.118415  0.602577  0.369127  1
  C  C497  1  0.187292  0.422160  0.416629  1
  C  C498  1  0.152772  0.012209  0.392850  1
  C  C499  1  0.986106  0.512209  0.392850  1
  C  C500  1  0.951749  0.102577  0.369127  1
  C  C501  1  0.853959  0.422160  0.416629  1
  C  C502  1  0.819439  0.012209  0.392850  1
  C  C503  1  0.618415  0.102577  0.369127  1
  C  C504  1  0.486106  0.012209  0.392850  1
  C  C505  1  0.207565  0.401755  0.488061  1
  C  C506  1  0.971876  0.082085  0.440460  1
  C  C507  1  0.874232  0.401755  0.488061  1
  C  C508  1  0.839698  0.991869  0.464269  1
  C  C509  1  0.638543  0.082085  0.440460  1
  C  C510  1  0.707565  0.901755  0.488061  1
  C  C511  1  0.540899  0.401755  0.488061  1
  C  C512  1  0.506364  0.991869  0.464269  1
  C  C513  1  0.471876  0.582085  0.440460  1
  C  C514  1  0.305210  0.082085  0.440460  1
  C  C515  1  0.374232  0.901755  0.488061  1
  C  C516  1  0.339698  0.491869  0.464269  1
  C  C517  1  0.173031  0.991869  0.464269  1
  C  C518  1  0.138543  0.582085  0.440460  1
  C  C519  1  0.040899  0.901755  0.488061  1
  C  C520  1  0.006364  0.491869  0.464269  1
  C  C521  1  0.805210  0.582085  0.440460  1
  C  C522  1  0.673031  0.491869  0.464269  1
  C  C523  1  0.124246  0.151765  0.488050  1
  C  C524  1  0.888517  0.832044  0.440405  1
  C  C525  1  0.790913  0.151765  0.488050  1
  C  C526  1  0.756439  0.741939  0.464211  1
  C  C527  1  0.555184  0.832044  0.440405  1
  C  C528  1  0.624246  0.651765  0.488050  1
  C  C529  1  0.457579  0.151765  0.488050  1
  C  C530  1  0.423105  0.741939  0.464211  1
  C  C531  1  0.388517  0.332044  0.440405  1
  C  C532  1  0.221850  0.832044  0.440405  1
  C  C533  1  0.290913  0.651765  0.488050  1
  C  C534  1  0.256439  0.241939  0.464211  1
  C  C535  1  0.089772  0.741939  0.464211  1
  C  C536  1  0.055184  0.332044  0.440405  1
  C  C537  1  0.957579  0.651765  0.488050  1
  C  C538  1  0.923105  0.241939  0.464211  1
  C  C539  1  0.721850  0.332044  0.440405  1
  C  C540  1  0.589772  0.241939  0.464211  1
  C  C541  1  0.311109  0.631279  0.559459  1
  C  C542  1  0.075420  0.311609  0.511857  1
  C  C543  1  0.977775  0.631279  0.559459  1
  C  C544  1  0.943287  0.221495  0.535649  1
  C  C545  1  0.742086  0.311609  0.511857  1
  C  C546  1  0.811109  0.131279  0.559459  1
  C  C547  1  0.644442  0.631279  0.559459  1
  C  C548  1  0.609954  0.221495  0.535649  1
  C  C549  1  0.575420  0.811609  0.511857  1
  C  C550  1  0.408753  0.311609  0.511857  1
  C  C551  1  0.477775  0.131279  0.559459  1
  C  C552  1  0.443287  0.721495  0.535649  1
  C  C553  1  0.276621  0.221495  0.535649  1
  C  C554  1  0.242086  0.811609  0.511857  1
  C  C555  1  0.144442  0.131279  0.559459  1
  C  C556  1  0.109954  0.721495  0.535649  1
  C  C557  1  0.908753  0.811609  0.511857  1
  C  C558  1  0.776621  0.721495  0.535649  1
  C  C559  1  0.227801  0.381320  0.559513  1
  C  C560  1  0.992072  0.061599  0.511869  1
  C  C561  1  0.894468  0.381320  0.559513  1
  C  C562  1  0.859880  0.971425  0.535708  1
  C  C563  1  0.658739  0.061599  0.511869  1
  C  C564  1  0.727801  0.881320  0.559513  1
  C  C565  1  0.561135  0.381320  0.559513  1
  C  C566  1  0.526546  0.971425  0.535708  1
  C  C567  1  0.492072  0.561599  0.511869  1
  C  C568  1  0.325406  0.061599  0.511869  1
  C  C569  1  0.394468  0.881320  0.559513  1
  C  C570  1  0.359880  0.471425  0.535708  1
  C  C571  1  0.193213  0.971425  0.535708  1
  C  C572  1  0.158739  0.561599  0.511869  1
  C  C573  1  0.061135  0.881320  0.559513  1
  C  C574  1  0.026546  0.471425  0.535708  1
  C  C575  1  0.825406  0.561599  0.511869  1
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