# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.02058163
_cell_length_b   17.25288175
_cell_length_c   49.63497151
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.75868982
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe540 C216'
_cell_volume   13235.7260873
_cell_formula_units_Z   108
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  0.203348  0.714014  0.339157  1
  Fe  Fe2  1  0.431987  0.694107  0.287232  1
  Fe  Fe3  1  0.818288  0.703610  0.313166  1
  Fe  Fe4  1  0.431987  0.360774  0.287232  1
  Fe  Fe5  1  0.818288  0.370276  0.313166  1
  Fe  Fe6  1  0.431987  0.027441  0.287232  1
  Fe  Fe7  1  0.203348  0.380681  0.339157  1
  Fe  Fe8  1  0.203348  0.047348  0.339157  1
  Fe  Fe9  1  0.818288  0.036943  0.313166  1
  Fe  Fe10  1  0.834155  0.583452  0.327935  1
  Fe  Fe11  1  0.058552  0.557025  0.275425  1
  Fe  Fe12  1  0.447207  0.568716  0.300690  1
  Fe  Fe13  1  0.058552  0.223691  0.275425  1
  Fe  Fe14  1  0.447207  0.235383  0.300690  1
  Fe  Fe15  1  0.058552  0.890358  0.275425  1
  Fe  Fe16  1  0.834155  0.250119  0.327935  1
  Fe  Fe17  1  0.834155  0.916786  0.327935  1
  Fe  Fe18  1  0.447207  0.902049  0.300690  1
  Fe  Fe19  1  0.055309  0.774819  0.297677  1
  Fe  Fe20  1  0.440144  0.786861  0.324234  1
  Fe  Fe21  1  0.668995  0.767670  0.273272  1
  Fe  Fe22  1  0.440144  0.453528  0.324234  1
  Fe  Fe23  1  0.668995  0.434337  0.273272  1
  Fe  Fe24  1  0.440144  0.120194  0.324234  1
  Fe  Fe25  1  0.055309  0.441485  0.297677  1
  Fe  Fe26  1  0.055309  0.108152  0.297677  1
  Fe  Fe27  1  0.668995  0.101003  0.273272  1
  Fe  Fe28  1  0.911367  0.764689  0.272899  1
  Fe  Fe29  1  0.314698  0.777571  0.296972  1
  Fe  Fe30  1  0.697292  0.786298  0.322481  1
  Fe  Fe31  1  0.314698  0.444238  0.296972  1
  Fe  Fe32  1  0.697292  0.452965  0.322481  1
  Fe  Fe33  1  0.314698  0.110905  0.296972  1
  Fe  Fe34  1  0.911367  0.431356  0.272899  1
  Fe  Fe35  1  0.911367  0.098022  0.272899  1
  Fe  Fe36  1  0.697292  0.119631  0.322481  1
  Fe  Fe37  1  0.954016  0.498878  0.318907  1
  Fe  Fe38  1  0.338027  0.510204  0.343481  1
  Fe  Fe39  1  0.566725  0.487776  0.292738  1
  Fe  Fe40  1  0.338027  0.176870  0.343481  1
  Fe  Fe41  1  0.566725  0.154443  0.292738  1
  Fe  Fe42  1  0.338027  0.843537  0.343481  1
  Fe  Fe43  1  0.954016  0.165545  0.318907  1
  Fe  Fe44  1  0.954016  0.832212  0.318907  1
  Fe  Fe45  1  0.566725  0.821110  0.292738  1
  Fe  Fe46  1  0.157527  0.696854  0.292041  1
  Fe  Fe47  1  0.544540  0.704381  0.318582  1
  Fe  Fe48  1  0.931053  0.716168  0.344107  1
  Fe  Fe49  1  0.544540  0.371048  0.318582  1
  Fe  Fe50  1  0.931053  0.382835  0.344107  1
  Fe  Fe51  1  0.544540  0.037714  0.318582  1
  Fe  Fe52  1  0.157527  0.363521  0.292041  1
  Fe  Fe53  1  0.157527  0.030187  0.292041  1
  Fe  Fe54  1  0.931053  0.049502  0.344107  1
  Fe  Fe55  1  0.897223  0.627420  0.276756  1
  Fe  Fe56  1  0.278087  0.635061  0.302324  1
  Fe  Fe57  1  0.665112  0.646467  0.328119  1
  Fe  Fe58  1  0.278087  0.301728  0.302324  1
  Fe  Fe59  1  0.665112  0.313134  0.328119  1
  Fe  Fe60  1  0.278087  0.968395  0.302324  1
  Fe  Fe61  1  0.897223  0.294087  0.276756  1
  Fe  Fe62  1  0.897223  0.960754  0.276756  1
  Fe  Fe63  1  0.665112  0.979800  0.328119  1
  Fe  Fe64  1  0.722725  0.572328  0.296164  1
  Fe  Fe65  1  0.105237  0.580677  0.322512  1
  Fe  Fe66  1  0.330060  0.557651  0.270466  1
  Fe  Fe67  1  0.105237  0.247344  0.322512  1
  Fe  Fe68  1  0.330060  0.224318  0.270466  1
  Fe  Fe69  1  0.105237  0.914011  0.322512  1
  Fe  Fe70  1  0.722725  0.238994  0.296164  1
  Fe  Fe71  1  0.722725  0.905661  0.296164  1
  Fe  Fe72  1  0.330060  0.890985  0.270466  1
  Fe  Fe73  1  0.823231  0.489467  0.292092  1
  Fe  Fe74  1  0.211578  0.499168  0.315759  1
  Fe  Fe75  1  0.596176  0.508985  0.342147  1
  Fe  Fe76  1  0.211578  0.165835  0.315759  1
  Fe  Fe77  1  0.596176  0.175652  0.342147  1
  Fe  Fe78  1  0.211578  0.832502  0.315759  1
  Fe  Fe79  1  0.823231  0.156134  0.292092  1
  Fe  Fe80  1  0.823231  0.822800  0.292092  1
  Fe  Fe81  1  0.596176  0.842319  0.342147  1
  Fe  Fe82  1  0.986283  0.639376  0.312510  1
  Fe  Fe83  1  0.372197  0.649858  0.337831  1
  Fe  Fe84  1  0.601568  0.629741  0.286918  1
  Fe  Fe85  1  0.372197  0.316525  0.337831  1
  Fe  Fe86  1  0.601568  0.296407  0.286918  1
  Fe  Fe87  1  0.372197  0.983191  0.337831  1
  Fe  Fe88  1  0.986283  0.306043  0.312510  1
  Fe  Fe89  1  0.986283  0.972709  0.312510  1
  Fe  Fe90  1  0.601568  0.963074  0.286918  1
  Fe  Fe91  1  0.361136  0.747040  0.416071  1
  Fe  Fe92  1  0.589364  0.724868  0.364694  1
  Fe  Fe93  1  0.975021  0.735472  0.390400  1
  Fe  Fe94  1  0.589364  0.391535  0.364694  1
  Fe  Fe95  1  0.975021  0.402139  0.390400  1
  Fe  Fe96  1  0.589364  0.058202  0.364694  1
  Fe  Fe97  1  0.361136  0.413707  0.416071  1
  Fe  Fe98  1  0.361136  0.080374  0.416071  1
  Fe  Fe99  1  0.975021  0.068805  0.390400  1
  Fe  Fe100  1  0.990475  0.614426  0.404438  1
  Fe  Fe101  1  0.218483  0.591831  0.352717  1
  Fe  Fe102  1  0.604476  0.603176  0.378434  1
  Fe  Fe103  1  0.218483  0.258498  0.352717  1
  Fe  Fe104  1  0.604476  0.269843  0.378434  1
  Fe  Fe105  1  0.218483  0.925164  0.352717  1
  Fe  Fe106  1  0.990475  0.281093  0.404438  1
  Fe  Fe107  1  0.990475  0.947760  0.404438  1
  Fe  Fe108  1  0.604476  0.936510  0.378434  1
  Fe  Fe109  1  0.212135  0.808545  0.375298  1
  Fe  Fe110  1  0.598022  0.819494  0.400887  1
  Fe  Fe111  1  0.826457  0.797812  0.349764  1
  Fe  Fe112  1  0.598022  0.486161  0.400887  1
  Fe  Fe113  1  0.826457  0.464479  0.349764  1
  Fe  Fe114  1  0.598022  0.152828  0.400887  1
  Fe  Fe115  1  0.212135  0.475212  0.375298  1
  Fe  Fe116  1  0.212135  0.141879  0.375298  1
  Fe  Fe117  1  0.826457  0.131145  0.349764  1
  Fe  Fe118  1  0.083933  0.797267  0.348154  1
  Fe  Fe119  1  0.469216  0.807597  0.373616  1
  Fe  Fe120  1  0.855325  0.818304  0.399263  1
  Fe  Fe121  1  0.469216  0.474263  0.373616  1
  Fe  Fe122  1  0.855325  0.484971  0.399263  1
  Fe  Fe123  1  0.469216  0.140930  0.373616  1
  Fe  Fe124  1  0.083933  0.463933  0.348154  1
  Fe  Fe125  1  0.083933  0.130600  0.348154  1
  Fe  Fe126  1  0.855325  0.151637  0.399263  1
  Fe  Fe127  1  0.110519  0.531461  0.395508  1
  Fe  Fe128  1  0.496095  0.542735  0.420919  1
  Fe  Fe129  1  0.724020  0.521041  0.369338  1
  Fe  Fe130  1  0.496095  0.209402  0.420919  1
  Fe  Fe131  1  0.724020  0.187708  0.369338  1
  Fe  Fe132  1  0.496095  0.876068  0.420919  1
  Fe  Fe133  1  0.110519  0.198128  0.395508  1
  Fe  Fe134  1  0.110519  0.864795  0.395508  1
  Fe  Fe135  1  0.724020  0.854374  0.369338  1
  Fe  Fe136  1  0.316506  0.726823  0.369732  1
  Fe  Fe137  1  0.702616  0.738013  0.395413  1
  Fe  Fe138  1  0.088475  0.748901  0.421177  1
  Fe  Fe139  1  0.702616  0.404680  0.395413  1
  Fe  Fe140  1  0.088475  0.415568  0.421177  1
  Fe  Fe141  1  0.702616  0.071346  0.395413  1
  Fe  Fe142  1  0.316506  0.393490  0.369732  1
  Fe  Fe143  1  0.316506  0.060156  0.369732  1
  Fe  Fe144  1  0.088475  0.082234  0.421177  1
  Fe  Fe145  1  0.050948  0.657154  0.354138  1
  Fe  Fe146  1  0.435956  0.667423  0.379768  1
  Fe  Fe147  1  0.821893  0.678338  0.405433  1
  Fe  Fe148  1  0.435956  0.334090  0.379768  1
  Fe  Fe149  1  0.821893  0.345005  0.405433  1
  Fe  Fe150  1  0.435956  0.000756  0.379768  1
  Fe  Fe151  1  0.050948  0.323821  0.354138  1
  Fe  Fe152  1  0.050948  0.990487  0.354138  1
  Fe  Fe153  1  0.821893  0.011672  0.405433  1
  Fe  Fe154  1  0.876716  0.601127  0.373566  1
  Fe  Fe155  1  0.263712  0.612421  0.399135  1
  Fe  Fe156  1  0.491183  0.590350  0.347771  1
  Fe  Fe157  1  0.263712  0.279087  0.399135  1
  Fe  Fe158  1  0.491183  0.257016  0.347771  1
  Fe  Fe159  1  0.263712  0.945754  0.399135  1
  Fe  Fe160  1  0.876716  0.267793  0.373566  1
  Fe  Fe161  1  0.876716  0.934460  0.373566  1
  Fe  Fe162  1  0.491183  0.923683  0.347771  1
  Fe  Fe163  1  0.982201  0.519717  0.368298  1
  Fe  Fe164  1  0.367522  0.530700  0.393553  1
  Fe  Fe165  1  0.753196  0.541641  0.419272  1
  Fe  Fe166  1  0.367522  0.197366  0.393553  1
  Fe  Fe167  1  0.753196  0.208308  0.419272  1
  Fe  Fe168  1  0.367522  0.864033  0.393553  1
  Fe  Fe169  1  0.982201  0.186383  0.368298  1
  Fe  Fe170  1  0.982201  0.853050  0.368298  1
  Fe  Fe171  1  0.753196  0.874975  0.419272  1
  Fe  Fe172  1  0.143957  0.671929  0.389286  1
  Fe  Fe173  1  0.529534  0.682700  0.414752  1
  Fe  Fe174  1  0.757740  0.660577  0.363434  1
  Fe  Fe175  1  0.529534  0.349367  0.414752  1
  Fe  Fe176  1  0.757740  0.327244  0.363434  1
  Fe  Fe177  1  0.529534  0.016034  0.414752  1
  Fe  Fe178  1  0.143957  0.338596  0.389286  1
  Fe  Fe179  1  0.143957  0.005263  0.389286  1
  Fe  Fe180  1  0.757740  0.993911  0.363434  1
  Fe  Fe181  1  0.518831  0.780322  0.493037  1
  Fe  Fe182  1  0.746930  0.758028  0.441679  1
  Fe  Fe183  1  0.132947  0.769132  0.467367  1
  Fe  Fe184  1  0.746930  0.424694  0.441679  1
  Fe  Fe185  1  0.132947  0.435798  0.467367  1
  Fe  Fe186  1  0.746930  0.091361  0.441679  1
  Fe  Fe187  1  0.518831  0.446989  0.493037  1
  Fe  Fe188  1  0.518831  0.113655  0.493037  1
  Fe  Fe189  1  0.132947  0.102465  0.467367  1
  Fe  Fe190  1  0.148199  0.647592  0.481176  1
  Fe  Fe191  1  0.376380  0.625279  0.429757  1
  Fe  Fe192  1  0.762167  0.636302  0.455452  1
  Fe  Fe193  1  0.376380  0.291946  0.429757  1
  Fe  Fe194  1  0.762167  0.302968  0.455452  1
  Fe  Fe195  1  0.376380  0.958613  0.429757  1
  Fe  Fe196  1  0.148199  0.314258  0.481176  1
  Fe  Fe197  1  0.148199  0.980925  0.481176  1
  Fe  Fe198  1  0.762167  0.969635  0.455452  1
  Fe  Fe199  1  0.369899  0.841662  0.452218  1
  Fe  Fe200  1  0.755729  0.852672  0.477844  1
  Fe  Fe201  1  0.983880  0.830370  0.426592  1
  Fe  Fe202  1  0.755729  0.519338  0.477844  1
  Fe  Fe203  1  0.983880  0.497037  0.426592  1
  Fe  Fe204  1  0.755729  0.186005  0.477844  1
  Fe  Fe205  1  0.369899  0.508329  0.452218  1
  Fe  Fe206  1  0.369899  0.174996  0.452218  1
  Fe  Fe207  1  0.983880  0.163703  0.426592  1
  Fe  Fe208  1  0.241454  0.829673  0.424924  1
  Fe  Fe209  1  0.627126  0.840615  0.450534  1
  Fe  Fe210  1  0.012986  0.851827  0.476198  1
  Fe  Fe211  1  0.627126  0.507281  0.450534  1
  Fe  Fe212  1  0.012986  0.518493  0.476198  1
  Fe  Fe213  1  0.627126  0.173948  0.450534  1
  Fe  Fe214  1  0.241454  0.496339  0.424924  1
  Fe  Fe215  1  0.241454  0.163006  0.424924  1
  Fe  Fe216  1  0.012986  0.185160  0.476198  1
  Fe  Fe217  1  0.268092  0.564981  0.472287  1
  Fe  Fe218  1  0.653827  0.576085  0.497917  1
  Fe  Fe219  1  0.882081  0.553594  0.446690  1
  Fe  Fe220  1  0.653827  0.242752  0.497917  1
  Fe  Fe221  1  0.882081  0.220260  0.446690  1
  Fe  Fe222  1  0.653827  0.909419  0.497917  1
  Fe  Fe223  1  0.268092  0.231647  0.472287  1
  Fe  Fe224  1  0.268092  0.898314  0.472287  1
  Fe  Fe225  1  0.882081  0.886927  0.446690  1
  Fe  Fe226  1  0.474235  0.760061  0.446715  1
  Fe  Fe227  1  0.860085  0.771004  0.472420  1
  Fe  Fe228  1  0.246270  0.782394  0.498073  1
  Fe  Fe229  1  0.860085  0.437670  0.472420  1
  Fe  Fe230  1  0.246270  0.449060  0.498073  1
  Fe  Fe231  1  0.860085  0.104337  0.472420  1
  Fe  Fe232  1  0.474235  0.426728  0.446715  1
  Fe  Fe233  1  0.474235  0.093394  0.446715  1
  Fe  Fe234  1  0.246270  0.115727  0.498073  1
  Fe  Fe235  1  0.208097  0.689730  0.431061  1
  Fe  Fe236  1  0.593780  0.700703  0.456709  1
  Fe  Fe237  1  0.979530  0.711722  0.482438  1
  Fe  Fe238  1  0.593780  0.367370  0.456709  1
  Fe  Fe239  1  0.979530  0.378389  0.482438  1
  Fe  Fe240  1  0.593780  0.034036  0.456709  1
  Fe  Fe241  1  0.208097  0.356397  0.431061  1
  Fe  Fe242  1  0.208097  0.023064  0.431061  1
  Fe  Fe243  1  0.979530  0.045055  0.482438  1
  Fe  Fe244  1  0.034868  0.634424  0.450460  1
  Fe  Fe245  1  0.420990  0.645555  0.476090  1
  Fe  Fe246  1  0.648997  0.623288  0.424743  1
  Fe  Fe247  1  0.420990  0.312222  0.476090  1
  Fe  Fe248  1  0.648997  0.289955  0.424743  1
  Fe  Fe249  1  0.420990  0.978889  0.476090  1
  Fe  Fe250  1  0.034868  0.301091  0.450460  1
  Fe  Fe251  1  0.034868  0.967758  0.450460  1
  Fe  Fe252  1  0.648997  0.956622  0.424743  1
  Fe  Fe253  1  0.139574  0.552838  0.445038  1
  Fe  Fe254  1  0.525261  0.563968  0.470608  1
  Fe  Fe255  1  0.911222  0.575064  0.496262  1
  Fe  Fe256  1  0.525261  0.230635  0.470608  1
  Fe  Fe257  1  0.911222  0.241730  0.496262  1
  Fe  Fe258  1  0.525261  0.897302  0.470608  1
  Fe  Fe259  1  0.139574  0.219505  0.445038  1
  Fe  Fe260  1  0.139574  0.886172  0.445038  1
  Fe  Fe261  1  0.911222  0.908397  0.496262  1
  Fe  Fe262  1  0.301521  0.704953  0.466069  1
  Fe  Fe263  1  0.687243  0.715987  0.491720  1
  Fe  Fe264  1  0.915476  0.693706  0.440438  1
  Fe  Fe265  1  0.687243  0.382654  0.491720  1
  Fe  Fe266  1  0.915476  0.360372  0.440438  1
  Fe  Fe267  1  0.687243  0.049320  0.491720  1
  Fe  Fe268  1  0.301521  0.371619  0.466069  1
  Fe  Fe269  1  0.301521  0.038286  0.466069  1
  Fe  Fe270  1  0.915476  0.027039  0.440438  1
  Fe  Fe271  1  0.676563  0.813715  0.570032  1
  Fe  Fe272  1  0.904744  0.791402  0.518613  1
  Fe  Fe273  1  0.290776  0.802692  0.544337  1
  Fe  Fe274  1  0.904744  0.458069  0.518613  1
  Fe  Fe275  1  0.290776  0.469359  0.544337  1
  Fe  Fe276  1  0.904744  0.124736  0.518613  1
  Fe  Fe277  1  0.676563  0.480381  0.570032  1
  Fe  Fe278  1  0.676563  0.147048  0.570032  1
  Fe  Fe279  1  0.290776  0.136025  0.544337  1
  Fe  Fe280  1  0.306013  0.680966  0.558110  1
  Fe  Fe281  1  0.534112  0.658672  0.506752  1
  Fe  Fe282  1  0.919997  0.669862  0.532422  1
  Fe  Fe283  1  0.534112  0.325339  0.506752  1
  Fe  Fe284  1  0.919997  0.336529  0.532422  1
  Fe  Fe285  1  0.534112  0.992005  0.506752  1
  Fe  Fe286  1  0.306013  0.347633  0.558110  1
  Fe  Fe287  1  0.306013  0.014300  0.558110  1
  Fe  Fe288  1  0.919997  0.003195  0.532422  1
  Fe  Fe289  1  0.527683  0.875025  0.529180  1
  Fe  Fe290  1  0.913369  0.886156  0.554751  1
  Fe  Fe291  1  0.141721  0.863930  0.503527  1
  Fe  Fe292  1  0.913369  0.552822  0.554751  1
  Fe  Fe293  1  0.141721  0.530597  0.503527  1
  Fe  Fe294  1  0.913369  0.219489  0.554751  1
  Fe  Fe295  1  0.527683  0.541692  0.529180  1
  Fe  Fe296  1  0.527683  0.208359  0.529180  1
  Fe  Fe297  1  0.141721  0.197263  0.503527  1
  Fe  Fe298  1  0.399116  0.862908  0.501872  1
  Fe  Fe299  1  0.784851  0.874013  0.527502  1
  Fe  Fe300  1  0.170863  0.885400  0.553099  1
  Fe  Fe301  1  0.784851  0.540680  0.527502  1
  Fe  Fe302  1  0.170863  0.552067  0.553099  1
  Fe  Fe303  1  0.784851  0.207347  0.527502  1
  Fe  Fe304  1  0.399116  0.529575  0.501872  1
  Fe  Fe305  1  0.399116  0.196242  0.501872  1
  Fe  Fe306  1  0.170863  0.218733  0.553099  1
  Fe  Fe307  1  0.425818  0.598379  0.549255  1
  Fe  Fe308  1  0.811489  0.609321  0.574865  1
  Fe  Fe309  1  0.039957  0.587167  0.523591  1
  Fe  Fe310  1  0.811489  0.275988  0.574865  1
  Fe  Fe311  1  0.039957  0.253834  0.523591  1
  Fe  Fe312  1  0.811489  0.942654  0.574865  1
  Fe  Fe313  1  0.425818  0.265046  0.549255  1
  Fe  Fe314  1  0.425818  0.931712  0.549255  1
  Fe  Fe315  1  0.039957  0.920501  0.523591  1
  Fe  Fe316  1  0.631953  0.793438  0.523699  1
  Fe  Fe317  1  0.018075  0.804569  0.549329  1
  Fe  Fe318  1  0.403946  0.815705  0.575046  1
  Fe  Fe319  1  0.018075  0.471236  0.549329  1
  Fe  Fe320  1  0.403946  0.482372  0.575046  1
  Fe  Fe321  1  0.018075  0.137903  0.549329  1
  Fe  Fe322  1  0.631953  0.460105  0.523699  1
  Fe  Fe323  1  0.631953  0.126772  0.523699  1
  Fe  Fe324  1  0.403946  0.149039  0.575046  1
  Fe  Fe325  1  0.365700  0.723007  0.508069  1
  Fe  Fe326  1  0.751422  0.734041  0.533720  1
  Fe  Fe327  1  0.137467  0.745288  0.559351  1
  Fe  Fe328  1  0.751422  0.400708  0.533720  1
  Fe  Fe329  1  0.137467  0.411955  0.559351  1
  Fe  Fe330  1  0.751422  0.067374  0.533720  1
  Fe  Fe331  1  0.365700  0.389674  0.508069  1
  Fe  Fe332  1  0.365700  0.056340  0.508069  1
  Fe  Fe333  1  0.137467  0.078622  0.559351  1
  Fe  Fe334  1  0.192858  0.667990  0.527369  1
  Fe  Fe335  1  0.578708  0.678933  0.553074  1
  Fe  Fe336  1  0.806673  0.656600  0.501716  1
  Fe  Fe337  1  0.578708  0.345600  0.553074  1
  Fe  Fe338  1  0.806673  0.323267  0.501716  1
  Fe  Fe339  1  0.578708  0.012266  0.553074  1
  Fe  Fe340  1  0.192858  0.334657  0.527369  1
  Fe  Fe341  1  0.192858  0.001323  0.527369  1
  Fe  Fe342  1  0.806673  0.989934  0.501716  1
  Fe  Fe343  1  0.297214  0.586322  0.521945  1
  Fe  Fe344  1  0.683044  0.597331  0.547571  1
  Fe  Fe345  1  0.069063  0.608624  0.573197  1
  Fe  Fe346  1  0.683044  0.263998  0.547571  1
  Fe  Fe347  1  0.069063  0.275290  0.573197  1
  Fe  Fe348  1  0.683044  0.930665  0.547571  1
  Fe  Fe349  1  0.297214  0.252989  0.521945  1
  Fe  Fe350  1  0.297214  0.919655  0.521945  1
  Fe  Fe351  1  0.069063  0.941957  0.573197  1
  Fe  Fe352  1  0.459163  0.738291  0.543080  1
  Fe  Fe353  1  0.844846  0.749263  0.568728  1
  Fe  Fe354  1  0.073413  0.727272  0.517351  1
  Fe  Fe355  1  0.844846  0.415930  0.568728  1
  Fe  Fe356  1  0.073413  0.393939  0.517351  1
  Fe  Fe357  1  0.844846  0.082597  0.568728  1
  Fe  Fe358  1  0.459163  0.404957  0.543080  1
  Fe  Fe359  1  0.459163  0.071624  0.543080  1
  Fe  Fe360  1  0.073413  0.060605  0.517351  1
  Fe  Fe361  1  0.834460  0.847163  0.647072  1
  Fe  Fe362  1  0.062468  0.824567  0.595351  1
  Fe  Fe363  1  0.448467  0.835818  0.621355  1
  Fe  Fe364  1  0.062468  0.491234  0.595351  1
  Fe  Fe365  1  0.448467  0.502484  0.621355  1
  Fe  Fe366  1  0.062468  0.157901  0.595351  1
  Fe  Fe367  1  0.834460  0.513829  0.647072  1
  Fe  Fe368  1  0.834460  0.180496  0.647072  1
  Fe  Fe369  1  0.448467  0.169151  0.621355  1
  Fe  Fe370  1  0.463579  0.714126  0.635095  1
  Fe  Fe371  1  0.691807  0.691954  0.583718  1
  Fe  Fe372  1  0.077923  0.703522  0.609389  1
  Fe  Fe373  1  0.691807  0.358620  0.583718  1
  Fe  Fe374  1  0.077923  0.370189  0.609389  1
  Fe  Fe375  1  0.691807  0.025287  0.583718  1
  Fe  Fe376  1  0.463579  0.380792  0.635095  1
  Fe  Fe377  1  0.463579  0.047459  0.635095  1
  Fe  Fe378  1  0.077923  0.036855  0.609389  1
  Fe  Fe379  1  0.685421  0.908294  0.606236  1
  Fe  Fe380  1  0.070743  0.919277  0.631491  1
  Fe  Fe381  1  0.299747  0.897353  0.580516  1
  Fe  Fe382  1  0.070743  0.585944  0.631491  1
  Fe  Fe383  1  0.299747  0.564019  0.580516  1
  Fe  Fe384  1  0.070743  0.252611  0.631491  1
  Fe  Fe385  1  0.685421  0.574961  0.606236  1
  Fe  Fe386  1  0.685421  0.241627  0.606236  1
  Fe  Fe387  1  0.299747  0.230686  0.580516  1
  Fe  Fe388  1  0.556848  0.896259  0.578870  1
  Fe  Fe389  1  0.942424  0.907533  0.604281  1
  Fe  Fe390  1  0.328923  0.917953  0.630451  1
  Fe  Fe391  1  0.942424  0.574199  0.604281  1
  Fe  Fe392  1  0.328923  0.584619  0.630451  1
  Fe  Fe393  1  0.942424  0.240866  0.604281  1
  Fe  Fe394  1  0.556848  0.562926  0.578870  1
  Fe  Fe395  1  0.556848  0.229592  0.578870  1
  Fe  Fe396  1  0.328923  0.251286  0.630451  1
  Fe  Fe397  1  0.583727  0.631397  0.626173  1
  Fe  Fe398  1  0.969010  0.641727  0.651635  1
  Fe  Fe399  1  0.197618  0.620690  0.600526  1
  Fe  Fe400  1  0.969010  0.308394  0.651635  1
  Fe  Fe401  1  0.197618  0.287356  0.600526  1
  Fe  Fe402  1  0.969010  0.975061  0.651635  1
  Fe  Fe403  1  0.583727  0.298064  0.626173  1
  Fe  Fe404  1  0.583727  0.964731  0.626173  1
  Fe  Fe405  1  0.197618  0.954023  0.600526  1
  Fe  Fe406  1  0.789231  0.826573  0.600654  1
  Fe  Fe407  1  0.176227  0.837867  0.626223  1
  Fe  Fe408  1  0.561760  0.848644  0.652018  1
  Fe  Fe409  1  0.176227  0.504534  0.626223  1
  Fe  Fe410  1  0.561760  0.515311  0.652018  1
  Fe  Fe411  1  0.176227  0.171201  0.626223  1
  Fe  Fe412  1  0.789231  0.493240  0.600654  1
  Fe  Fe413  1  0.789231  0.159907  0.600654  1
  Fe  Fe414  1  0.561760  0.181978  0.652018  1
  Fe  Fe415  1  0.523409  0.756294  0.585037  1
  Fe  Fe416  1  0.908986  0.767065  0.610503  1
  Fe  Fe417  1  0.295203  0.778417  0.636355  1
  Fe  Fe418  1  0.908986  0.433731  0.610503  1
  Fe  Fe419  1  0.295203  0.445083  0.636355  1
  Fe  Fe420  1  0.908986  0.100398  0.610503  1
  Fe  Fe421  1  0.523409  0.422960  0.585037  1
  Fe  Fe422  1  0.523409  0.089627  0.585037  1
  Fe  Fe423  1  0.295203  0.111750  0.636355  1
  Fe  Fe424  1  0.350327  0.700981  0.604376  1
  Fe  Fe425  1  0.736438  0.712171  0.630057  1
  Fe  Fe426  1  0.964468  0.690093  0.578612  1
  Fe  Fe427  1  0.736438  0.378837  0.630057  1
  Fe  Fe428  1  0.964468  0.356760  0.578612  1
  Fe  Fe429  1  0.736438  0.045504  0.630057  1
  Fe  Fe430  1  0.350327  0.367648  0.604376  1
  Fe  Fe431  1  0.350327  0.034314  0.604376  1
  Fe  Fe432  1  0.964468  0.023426  0.578612  1
  Fe  Fe433  1  0.454921  0.619499  0.598902  1
  Fe  Fe434  1  0.840808  0.630449  0.624491  1
  Fe  Fe435  1  0.226486  0.641182  0.650025  1
  Fe  Fe436  1  0.840808  0.297115  0.624491  1
  Fe  Fe437  1  0.226486  0.307849  0.650025  1
  Fe  Fe438  1  0.840808  0.963782  0.624491  1
  Fe  Fe439  1  0.454921  0.286166  0.598902  1
  Fe  Fe440  1  0.454921  0.952833  0.598902  1
  Fe  Fe441  1  0.226486  0.974515  0.650025  1
  Fe  Fe442  1  0.616988  0.771571  0.620021  1
  Fe  Fe443  1  0.001995  0.781840  0.645651  1
  Fe  Fe444  1  0.231050  0.760655  0.594356  1
  Fe  Fe445  1  0.001995  0.448506  0.645651  1
  Fe  Fe446  1  0.231050  0.427322  0.594356  1
  Fe  Fe447  1  0.001995  0.115173  0.645651  1
  Fe  Fe448  1  0.616988  0.438237  0.620021  1
  Fe  Fe449  1  0.616988  0.104904  0.620021  1
  Fe  Fe450  1  0.231050  0.093989  0.594356  1
  Fe  Fe451  1  0.994391  0.881969  0.724364  1
  Fe  Fe452  1  0.218788  0.855542  0.671854  1
  Fe  Fe453  1  0.605736  0.870278  0.699099  1
  Fe  Fe454  1  0.218788  0.522208  0.671854  1
  Fe  Fe455  1  0.605736  0.536945  0.699099  1
  Fe  Fe456  1  0.218788  0.188875  0.671854  1
  Fe  Fe457  1  0.994391  0.548636  0.724364  1
  Fe  Fe458  1  0.994391  0.215303  0.724364  1
  Fe  Fe459  1  0.605736  0.203611  0.699099  1
  Fe  Fe460  1  0.620956  0.744887  0.712557  1
  Fe  Fe461  1  0.849596  0.724979  0.660632  1
  Fe  Fe462  1  0.234655  0.735384  0.686623  1
  Fe  Fe463  1  0.849596  0.391646  0.660632  1
  Fe  Fe464  1  0.234655  0.402051  0.686623  1
  Fe  Fe465  1  0.849596  0.058313  0.660632  1
  Fe  Fe466  1  0.620956  0.411553  0.712557  1
  Fe  Fe467  1  0.620956  0.078220  0.712557  1
  Fe  Fe468  1  0.234655  0.068718  0.686623  1
  Fe  Fe469  1  0.841365  0.939825  0.684030  1
  Fe  Fe470  1  0.229712  0.949527  0.707697  1
  Fe  Fe471  1  0.456767  0.930009  0.657642  1
  Fe  Fe472  1  0.229712  0.616193  0.707697  1
  Fe  Fe473  1  0.456767  0.596675  0.657642  1
  Fe  Fe474  1  0.229712  0.282860  0.707697  1
  Fe  Fe475  1  0.841365  0.606492  0.684030  1
  Fe  Fe476  1  0.841365  0.273159  0.684030  1
  Fe  Fe477  1  0.456767  0.263342  0.657642  1
  Fe  Fe478  1  0.714917  0.928790  0.656308  1
  Fe  Fe479  1  0.098927  0.940115  0.680882  1
  Fe  Fe480  1  0.486218  0.951218  0.707051  1
  Fe  Fe481  1  0.098927  0.606782  0.680882  1
  Fe  Fe482  1  0.486218  0.617884  0.707051  1
  Fe  Fe483  1  0.098927  0.273449  0.680882  1
  Fe  Fe484  1  0.714917  0.595457  0.656308  1
  Fe  Fe485  1  0.714917  0.262124  0.656308  1
  Fe  Fe486  1  0.486218  0.284551  0.707051  1
  Fe  Fe487  1  0.738245  0.661422  0.702817  1
  Fe  Fe488  1  0.141576  0.674305  0.726890  1
  Fe  Fe489  1  0.355651  0.652696  0.677308  1
  Fe  Fe490  1  0.141576  0.340972  0.726890  1
  Fe  Fe491  1  0.355651  0.319362  0.677308  1
  Fe  Fe492  1  0.141576  0.007638  0.726890  1
  Fe  Fe493  1  0.738245  0.328089  0.702817  1
  Fe  Fe494  1  0.738245  0.994756  0.702817  1
  Fe  Fe495  1  0.355651  0.986029  0.677308  1
  Fe  Fe496  1  0.947706  0.858317  0.677277  1
  Fe  Fe497  1  0.330218  0.866666  0.703625  1
  Fe  Fe498  1  0.722883  0.881343  0.729323  1
  Fe  Fe499  1  0.330218  0.533333  0.703625  1
  Fe  Fe500  1  0.722883  0.548009  0.729323  1
  Fe  Fe501  1  0.330218  0.200000  0.703625  1
  Fe  Fe502  1  0.947706  0.524983  0.677277  1
  Fe  Fe503  1  0.947706  0.191650  0.677277  1
  Fe  Fe504  1  0.722883  0.214676  0.729323  1
  Fe  Fe505  1  0.680746  0.789136  0.661958  1
  Fe  Fe506  1  0.066660  0.799618  0.687279  1
  Fe  Fe507  1  0.451375  0.809253  0.712871  1
  Fe  Fe508  1  0.066660  0.466284  0.687279  1
  Fe  Fe509  1  0.451375  0.475920  0.712871  1
  Fe  Fe510  1  0.066660  0.132951  0.687279  1
  Fe  Fe511  1  0.680746  0.455802  0.661958  1
  Fe  Fe512  1  0.680746  0.122469  0.661958  1
  Fe  Fe513  1  0.451375  0.142586  0.712871  1
  Fe  Fe514  1  0.508403  0.734613  0.681207  1
  Fe  Fe515  1  0.895416  0.742140  0.707748  1
  Fe  Fe516  1  0.121890  0.722826  0.655682  1
  Fe  Fe517  1  0.895416  0.408807  0.707748  1
  Fe  Fe518  1  0.121890  0.389492  0.655682  1
  Fe  Fe519  1  0.895416  0.075473  0.707748  1
  Fe  Fe520  1  0.508403  0.401280  0.681207  1
  Fe  Fe521  1  0.508403  0.067946  0.681207  1
  Fe  Fe522  1  0.121890  0.056159  0.655682  1
  Fe  Fe523  1  0.612799  0.652133  0.675555  1
  Fe  Fe524  1  0.997635  0.664175  0.702112  1
  Fe  Fe525  1  0.383948  0.671324  0.726517  1
  Fe  Fe526  1  0.997635  0.330842  0.702112  1
  Fe  Fe527  1  0.383948  0.337991  0.726517  1
  Fe  Fe528  1  0.997635  0.997508  0.702112  1
  Fe  Fe529  1  0.612799  0.318800  0.675555  1
  Fe  Fe530  1  0.612799  0.985466  0.675555  1
  Fe  Fe531  1  0.383948  0.004657  0.726517  1
  Fe  Fe532  1  0.774856  0.803932  0.697465  1
  Fe  Fe533  1  0.155720  0.811573  0.723033  1
  Fe  Fe534  1  0.387831  0.792527  0.671670  1
  Fe  Fe535  1  0.155720  0.478240  0.723033  1
  Fe  Fe536  1  0.387831  0.459194  0.671670  1
  Fe  Fe537  1  0.155720  0.144907  0.723033  1
  Fe  Fe538  1  0.774856  0.470599  0.697465  1
  Fe  Fe539  1  0.774856  0.137266  0.697465  1
  Fe  Fe540  1  0.387831  0.125860  0.671670  1
  C  C541  1  0.105537  0.723997  0.322898  1
  C  C542  1  0.333202  0.703261  0.271393  1
  C  C543  1  0.720524  0.714296  0.297126  1
  C  C544  1  0.333202  0.369928  0.271393  1
  C  C545  1  0.720524  0.380963  0.297126  1
  C  C546  1  0.333202  0.036595  0.271393  1
  C  C547  1  0.105537  0.390664  0.322898  1
  C  C548  1  0.105537  0.057331  0.322898  1
  C  C549  1  0.720524  0.047629  0.297126  1
  C  C550  1  0.945027  0.546953  0.284740  1
  C  C551  1  0.333625  0.560161  0.309189  1
  C  C552  1  0.717826  0.569154  0.334881  1
  C  C553  1  0.333625  0.226828  0.309189  1
  C  C554  1  0.717826  0.235821  0.334881  1
  C  C555  1  0.333625  0.893494  0.309189  1
  C  C556  1  0.945027  0.213620  0.284740  1
  C  C557  1  0.945027  0.880286  0.284740  1
  C  C558  1  0.717826  0.902487  0.334881  1
  C  C559  1  0.933775  0.716662  0.305378  1
  C  C560  1  0.318261  0.726091  0.331010  1
  C  C561  1  0.547157  0.705366  0.279872  1
  C  C562  1  0.318261  0.392758  0.331010  1
  C  C563  1  0.547157  0.372032  0.279872  1
  C  C564  1  0.318261  0.059425  0.331010  1
  C  C565  1  0.933775  0.383329  0.305378  1
  C  C566  1  0.933775  0.049995  0.305378  1
  C  C567  1  0.547157  0.038699  0.279872  1
  C  C568  1  0.932134  0.572818  0.343831  1
  C  C569  1  0.157683  0.551258  0.292258  1
  C  C570  1  0.545431  0.561746  0.317785  1
  C  C571  1  0.157683  0.217925  0.292258  1
  C  C572  1  0.545431  0.228413  0.317785  1
  C  C573  1  0.157683  0.884591  0.292258  1
  C  C574  1  0.932134  0.239484  0.343831  1
  C  C575  1  0.932134  0.906151  0.343831  1
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