# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01786127
_cell_length_b   32.22956525
_cell_length_c   49.26914132
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.06304140
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe504 C216'
_cell_volume   12684.5114727
_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  0.615901  0.010974  0.300034  1
  Fe  Fe2  1  0.505576  0.339928  0.324334  1
  Fe  Fe3  1  0.713663  0.682555  0.272692  1
  Fe  Fe4  1  0.180837  0.042814  0.311230  1
  Fe  Fe5  1  0.067467  0.370815  0.337412  1
  Fe  Fe6  1  0.270617  0.715578  0.284122  1
  Fe  Fe7  1  0.134221  0.213892  0.293805  1
  Fe  Fe8  1  0.020971  0.540628  0.319745  1
  Fe  Fe9  1  0.908101  0.870001  0.345356  1
  Fe  Fe10  1  0.731197  0.177127  0.300610  1
  Fe  Fe11  1  0.612515  0.506471  0.325432  1
  Fe  Fe12  1  0.808959  0.853490  0.273609  1
  Fe  Fe13  1  0.025021  0.016180  0.277564  1
  Fe  Fe14  1  0.917781  0.343269  0.301531  1
  Fe  Fe15  1  0.798655  0.671610  0.327281  1
  Fe  Fe16  1  0.847264  0.042717  0.317300  1
  Fe  Fe17  1  0.735526  0.370475  0.342435  1
  Fe  Fe18  1  0.958202  0.713306  0.292659  1
  Fe  Fe19  1  0.472757  0.213850  0.290155  1
  Fe  Fe20  1  0.357969  0.542973  0.314454  1
  Fe  Fe21  1  0.245645  0.871796  0.339753  1
  Fe  Fe22  1  0.318804  0.172971  0.324811  1
  Fe  Fe23  1  0.519965  0.514963  0.274808  1
  Fe  Fe24  1  0.419941  0.844669  0.300287  1
  Fe  Fe25  1  0.007121  0.090483  0.278915  1
  Fe  Fe26  1  0.893711  0.416756  0.307254  1
  Fe  Fe27  1  0.776322  0.746591  0.332085  1
  Fe  Fe28  1  0.874111  0.969111  0.311547  1
  Fe  Fe29  1  0.762921  0.296051  0.336154  1
  Fe  Fe30  1  0.987971  0.637580  0.281846  1
  Fe  Fe31  1  0.491079  0.139168  0.283314  1
  Fe  Fe32  1  0.381848  0.467053  0.308561  1
  Fe  Fe33  1  0.264282  0.795821  0.334538  1
  Fe  Fe34  1  0.285776  0.248164  0.330890  1
  Fe  Fe35  1  0.504993  0.590544  0.279268  1
  Fe  Fe36  1  0.397627  0.919714  0.305078  1
  Fe  Fe37  1  0.043527  0.159583  0.272315  1
  Fe  Fe38  1  0.931353  0.485829  0.297910  1
  Fe  Fe39  1  0.815379  0.814543  0.322865  1
  Fe  Fe40  1  0.844398  0.232036  0.318127  1
  Fe  Fe41  1  0.726574  0.561143  0.342899  1
  Fe  Fe42  1  0.957419  0.905589  0.291923  1
  Fe  Fe43  1  0.465602  0.071145  0.290064  1
  Fe  Fe44  1  0.352236  0.399500  0.316534  1
  Fe  Fe45  1  0.233780  0.728317  0.342075  1
  Fe  Fe46  1  0.322002  0.982912  0.323008  1
  Fe  Fe47  1  0.565723  0.324795  0.270048  1
  Fe  Fe48  1  0.432162  0.654137  0.296451  1
  Fe  Fe49  1  0.437776  0.037741  0.339980  1
  Fe  Fe50  1  0.661351  0.379843  0.290354  1
  Fe  Fe51  1  0.539335  0.709030  0.314828  1
  Fe  Fe52  1  0.344332  0.015163  0.268755  1
  Fe  Fe53  1  0.247361  0.345256  0.294305  1
  Fe  Fe54  1  0.132833  0.673542  0.321481  1
  Fe  Fe55  1  0.979923  0.172276  0.330163  1
  Fe  Fe56  1  0.191423  0.516126  0.278368  1
  Fe  Fe57  1  0.089492  0.844687  0.304890  1
  Fe  Fe58  1  0.543928  0.203353  0.341730  1
  Fe  Fe59  1  0.770106  0.546345  0.290320  1
  Fe  Fe60  1  0.656014  0.875511  0.315878  1
  Fe  Fe61  1  0.721001  0.108067  0.306148  1
  Fe  Fe62  1  0.602296  0.435692  0.331318  1
  Fe  Fe63  1  0.790647  0.778418  0.277092  1
  Fe  Fe64  1  0.172023  0.950589  0.283263  1
  Fe  Fe65  1  0.063895  0.278838  0.308125  1
  Fe  Fe66  1  0.947146  0.607507  0.333793  1
  Fe  Fe67  1  0.215428  0.112429  0.307354  1
  Fe  Fe68  1  0.097743  0.441729  0.333069  1
  Fe  Fe69  1  0.290759  0.788773  0.283264  1
  Fe  Fe70  1  0.561472  0.274382  0.309141  1
  Fe  Fe71  1  0.445478  0.602547  0.334109  1
  Fe  Fe72  1  0.668762  0.943645  0.282005  1
  Fe  Fe73  1  0.447056  0.107788  0.334662  1
  Fe  Fe74  1  0.670818  0.450757  0.282452  1
  Fe  Fe75  1  0.555316  0.777224  0.308633  1
  Fe  Fe76  1  0.327165  0.278283  0.281090  1
  Fe  Fe77  1  0.209337  0.607698  0.307540  1
  Fe  Fe78  1  0.097255  0.936255  0.333108  1
  Fe  Fe79  1  0.952264  0.102837  0.333453  1
  Fe  Fe80  1  0.174729  0.443337  0.281808  1
  Fe  Fe81  1  0.053538  0.773256  0.309159  1
  Fe  Fe82  1  0.599047  0.942290  0.331858  1
  Fe  Fe83  1  0.821839  0.280155  0.281870  1
  Fe  Fe84  1  0.712491  0.612763  0.306211  1
  Fe  Fe85  1  0.276202  0.997444  0.376279  1
  Fe  Fe86  1  0.162517  0.326120  0.401578  1
  Fe  Fe87  1  0.388076  0.669141  0.350207  1
  Fe  Fe88  1  0.840734  0.028999  0.387697  1
  Fe  Fe89  1  0.728059  0.357723  0.413022  1
  Fe  Fe90  1  0.951263  0.699087  0.363242  1
  Fe  Fe91  1  0.799316  0.198516  0.371601  1
  Fe  Fe92  1  0.682531  0.527160  0.396961  1
  Fe  Fe93  1  0.569393  0.855950  0.422639  1
  Fe  Fe94  1  0.385774  0.163874  0.377494  1
  Fe  Fe95  1  0.271575  0.492142  0.403018  1
  Fe  Fe96  1  0.497691  0.835707  0.351895  1
  Fe  Fe97  1  0.687799  0.001720  0.352615  1
  Fe  Fe98  1  0.575445  0.329694  0.378228  1
  Fe  Fe99  1  0.460807  0.658573  0.403673  1
  Fe  Fe100  1  0.506746  0.028502  0.393817  1
  Fe  Fe101  1  0.392657  0.356966  0.419378  1
  Fe  Fe102  1  0.618262  0.699341  0.367944  1
  Fe  Fe103  1  0.133424  0.200142  0.365243  1
  Fe  Fe104  1  0.018605  0.528671  0.390475  1
  Fe  Fe105  1  0.905361  0.857374  0.416248  1
  Fe  Fe106  1  0.974725  0.159108  0.400881  1
  Fe  Fe107  1  0.202542  0.501779  0.349456  1
  Fe  Fe108  1  0.086703  0.830438  0.375212  1
  Fe  Fe109  1  0.665218  0.076352  0.357247  1
  Fe  Fe110  1  0.552691  0.404566  0.383180  1
  Fe  Fe111  1  0.437897  0.733452  0.408657  1
  Fe  Fe112  1  0.535428  0.953730  0.387085  1
  Fe  Fe113  1  0.422963  0.282442  0.412554  1
  Fe  Fe114  1  0.644410  0.624938  0.360863  1
  Fe  Fe115  1  0.155381  0.125443  0.360364  1
  Fe  Fe116  1  0.039697  0.454363  0.385963  1
  Fe  Fe117  1  0.925637  0.782847  0.411638  1
  Fe  Fe118  1  0.943923  0.233745  0.407836  1
  Fe  Fe119  1  0.168057  0.575860  0.356460  1
  Fe  Fe120  1  0.056051  0.904733  0.382131  1
  Fe  Fe121  1  0.701401  0.144543  0.349782  1
  Fe  Fe122  1  0.586023  0.472912  0.375036  1
  Fe  Fe123  1  0.471938  0.801841  0.400743  1
  Fe  Fe124  1  0.503041  0.218909  0.394505  1
  Fe  Fe125  1  0.388754  0.547366  0.420065  1
  Fe  Fe126  1  0.614514  0.890439  0.368826  1
  Fe  Fe127  1  0.120243  0.057256  0.368241  1
  Fe  Fe128  1  0.006331  0.385848  0.393664  1
  Fe  Fe129  1  0.890806  0.714385  0.419455  1
  Fe  Fe130  1  0.975636  0.968359  0.400551  1
  Fe  Fe131  1  0.206266  0.311115  0.348755  1
  Fe  Fe132  1  0.087607  0.639275  0.374903  1
  Fe  Fe133  1  0.095312  0.023626  0.417225  1
  Fe  Fe134  1  0.321671  0.366357  0.365748  1
  Fe  Fe135  1  0.208069  0.695054  0.391359  1
  Fe  Fe136  1  0.022698  0.003363  0.347442  1
  Fe  Fe137  1  0.909705  0.331699  0.372030  1
  Fe  Fe138  1  0.793778  0.660350  0.397806  1
  Fe  Fe139  1  0.639303  0.158339  0.407324  1
  Fe  Fe140  1  0.863682  0.500518  0.355409  1
  Fe  Fe141  1  0.749366  0.829618  0.381166  1
  Fe  Fe142  1  0.203579  0.190060  0.418701  1
  Fe  Fe143  1  0.429100  0.532305  0.366999  1
  Fe  Fe144  1  0.316023  0.861195  0.392718  1
  Fe  Fe145  1  0.375472  0.093942  0.383313  1
  Fe  Fe146  1  0.261860  0.422510  0.408893  1
  Fe  Fe147  1  0.489091  0.764667  0.356430  1
  Fe  Fe148  1  0.833904  0.936470  0.359410  1
  Fe  Fe149  1  0.721166  0.265002  0.385315  1
  Fe  Fe150  1  0.606862  0.593761  0.410582  1
  Fe  Fe151  1  0.870266  0.098834  0.384414  1
  Fe  Fe152  1  0.757188  0.427258  0.409813  1
  Fe  Fe153  1  0.981969  0.770126  0.358883  1
  Fe  Fe154  1  0.220529  0.260075  0.385554  1
  Fe  Fe155  1  0.105988  0.588369  0.411057  1
  Fe  Fe156  1  0.333233  0.931736  0.359983  1
  Fe  Fe157  1  0.104870  0.093822  0.411659  1
  Fe  Fe158  1  0.334201  0.436331  0.360105  1
  Fe  Fe159  1  0.217856  0.765107  0.385917  1
  Fe  Fe160  1  0.985905  0.264189  0.358176  1
  Fe  Fe161  1  0.870072  0.592877  0.383777  1
  Fe  Fe162  1  0.758105  0.921958  0.409357  1
  Fe  Fe163  1  0.609840  0.088826  0.410601  1
  Fe  Fe164  1  0.836746  0.431380  0.358683  1
  Fe  Fe165  1  0.721560  0.760306  0.384018  1
  Fe  Fe166  1  0.258508  0.927171  0.409397  1
  Fe  Fe167  1  0.486540  0.270373  0.357691  1
  Fe  Fe168  1  0.372130  0.598275  0.383729  1
  Fe  Fe169  1  0.935106  0.983321  0.453098  1
  Fe  Fe170  1  0.822632  0.311929  0.478620  1
  Fe  Fe171  1  0.048795  0.654676  0.427232  1
  Fe  Fe172  1  0.500816  0.014934  0.464544  1
  Fe  Fe173  1  0.387148  0.343568  0.490109  1
  Fe  Fe174  1  0.613876  0.686399  0.438374  1
  Fe  Fe175  1  0.456834  0.184624  0.448364  1
  Fe  Fe176  1  0.342753  0.513201  0.473905  1
  Fe  Fe177  1  0.229214  0.841739  0.499566  1
  Fe  Fe178  1  0.044237  0.149755  0.454559  1
  Fe  Fe179  1  0.930499  0.478317  0.480093  1
  Fe  Fe180  1  0.157266  0.820941  0.428817  1
  Fe  Fe181  1  0.347205  0.987146  0.429600  1
  Fe  Fe182  1  0.234278  0.315788  0.455190  1
  Fe  Fe183  1  0.119907  0.644366  0.480717  1
  Fe  Fe184  1  0.165546  0.014274  0.470674  1
  Fe  Fe185  1  0.051744  0.342857  0.496248  1
  Fe  Fe186  1  0.278650  0.685623  0.444838  1
  Fe  Fe187  1  0.791779  0.186197  0.442280  1
  Fe  Fe188  1  0.677208  0.514792  0.467793  1
  Fe  Fe189  1  0.564128  0.843391  0.493440  1
  Fe  Fe190  1  0.633082  0.144968  0.478070  1
  Fe  Fe191  1  0.859997  0.487755  0.426276  1
  Fe  Fe192  1  0.745825  0.816359  0.451953  1
  Fe  Fe193  1  0.326048  0.062160  0.434529  1
  Fe  Fe194  1  0.212490  0.390788  0.459945  1
  Fe  Fe195  1  0.098767  0.719381  0.485530  1
  Fe  Fe196  1  0.195871  0.939618  0.463933  1
  Fe  Fe197  1  0.082097  0.268253  0.489441  1
  Fe  Fe198  1  0.309102  0.610971  0.438040  1
  Fe  Fe199  1  0.813575  0.111176  0.437372  1
  Fe  Fe200  1  0.699526  0.439764  0.462896  1
  Fe  Fe201  1  0.585915  0.768245  0.488477  1
  Fe  Fe202  1  0.603132  0.219528  0.484903  1
  Fe  Fe203  1  0.829716  0.562384  0.433384  1
  Fe  Fe204  1  0.716510  0.890956  0.459073  1
  Fe  Fe205  1  0.360547  0.130442  0.426782  1
  Fe  Fe206  1  0.246601  0.459013  0.452290  1
  Fe  Fe207  1  0.132999  0.787601  0.477883  1
  Fe  Fe208  1  0.161945  0.204745  0.471461  1
  Fe  Fe209  1  0.047738  0.533349  0.496960  1
  Fe  Fe210  1  0.275295  0.876064  0.445779  1
  Fe  Fe211  1  0.779255  0.042949  0.445091  1
  Fe  Fe212  1  0.665546  0.371541  0.470658  1
  Fe  Fe213  1  0.551564  0.700078  0.496179  1
  Fe  Fe214  1  0.637554  0.954446  0.477032  1
  Fe  Fe215  1  0.864798  0.297246  0.425719  1
  Fe  Fe216  1  0.750378  0.625860  0.451234  1
  Fe  Fe217  1  0.753900  0.009422  0.494037  1
  Fe  Fe218  1  0.981174  0.352225  0.442708  1
  Fe  Fe219  1  0.867034  0.680827  0.468233  1
  Fe  Fe220  1  0.682358  0.988824  0.423261  1
  Fe  Fe221  1  0.569257  0.317314  0.449079  1
  Fe  Fe222  1  0.455147  0.645844  0.474460  1
  Fe  Fe223  1  0.297980  0.144245  0.484281  1
  Fe  Fe224  1  0.525004  0.486949  0.432882  1
  Fe  Fe225  1  0.411496  0.815637  0.458488  1
  Fe  Fe226  1  0.862612  0.175907  0.495701  1
  Fe  Fe227  1  0.089348  0.518673  0.444296  1
  Fe  Fe228  1  0.975764  0.847262  0.469931  1
  Fe  Fe229  1  0.034332  0.079736  0.460161  1
  Fe  Fe230  1  0.920419  0.408270  0.485672  1
  Fe  Fe231  1  0.147772  0.751178  0.434509  1
  Fe  Fe232  1  0.493855  0.922374  0.436460  1
  Fe  Fe233  1  0.380791  0.250962  0.462182  1
  Fe  Fe234  1  0.266579  0.579525  0.487745  1
  Fe  Fe235  1  0.529808  0.084559  0.461253  1
  Fe  Fe236  1  0.415955  0.413124  0.486825  1
  Fe  Fe237  1  0.642624  0.755938  0.435355  1
  Fe  Fe238  1  0.879434  0.245931  0.462540  1
  Fe  Fe239  1  0.765110  0.574563  0.488046  1
  Fe  Fe240  1  0.992870  0.917099  0.436801  1
  Fe  Fe241  1  0.764177  0.079592  0.488702  1
  Fe  Fe242  1  0.990900  0.422291  0.437160  1
  Fe  Fe243  1  0.876545  0.750846  0.462801  1
  Fe  Fe244  1  0.645254  0.251060  0.435224  1
  Fe  Fe245  1  0.531130  0.579692  0.460693  1
  Fe  Fe246  1  0.417673  0.908259  0.486432  1
  Fe  Fe247  1  0.268715  0.074740  0.487531  1
  Fe  Fe248  1  0.495874  0.417433  0.436190  1
  Fe  Fe249  1  0.381721  0.746079  0.461750  1
  Fe  Fe250  1  0.919112  0.913337  0.486008  1
  Fe  Fe251  1  0.146808  0.256162  0.434696  1
  Fe  Fe252  1  0.032638  0.584738  0.460258  1
  Fe  Fe253  1  0.595170  0.969147  0.529935  1
  Fe  Fe254  1  0.481586  0.297737  0.555570  1
  Fe  Fe255  1  0.708321  0.640502  0.504164  1
  Fe  Fe256  1  0.159438  0.000772  0.541377  1
  Fe  Fe257  1  0.045930  0.329461  0.566984  1
  Fe  Fe258  1  0.272954  0.672165  0.515584  1
  Fe  Fe259  1  0.115787  0.170566  0.525405  1
  Fe  Fe260  1  0.001677  0.499095  0.550786  1
  Fe  Fe261  1  0.888575  0.827585  0.576604  1
  Fe  Fe262  1  0.703899  0.135582  0.531633  1
  Fe  Fe263  1  0.589759  0.464184  0.557157  1
  Fe  Fe264  1  0.817033  0.806987  0.505828  1
  Fe  Fe265  1  0.006805  0.973018  0.506425  1
  Fe  Fe266  1  0.893726  0.301617  0.532073  1
  Fe  Fe267  1  0.779155  0.630212  0.557586  1
  Fe  Fe268  1  0.825109  0.000050  0.547912  1
  Fe  Fe269  1  0.710936  0.328654  0.573590  1
  Fe  Fe270  1  0.937852  0.671441  0.521795  1
  Fe  Fe271  1  0.451027  0.172043  0.519149  1
  Fe  Fe272  1  0.336656  0.500622  0.544675  1
  Fe  Fe273  1  0.223728  0.829263  0.570265  1
  Fe  Fe274  1  0.292283  0.130786  0.555027  1
  Fe  Fe275  1  0.519190  0.473552  0.503618  1
  Fe  Fe276  1  0.405388  0.802135  0.529192  1
  Fe  Fe277  1  0.985019  0.048164  0.511388  1
  Fe  Fe278  1  0.871408  0.376645  0.536970  1
  Fe  Fe279  1  0.757358  0.705234  0.562493  1
  Fe  Fe280  1  0.854424  0.925453  0.540792  1
  Fe  Fe281  1  0.741218  0.254025  0.566482  1
  Fe  Fe282  1  0.967802  0.596881  0.514963  1
  Fe  Fe283  1  0.472166  0.097028  0.514335  1
  Fe  Fe284  1  0.358444  0.425622  0.539921  1
  Fe  Fe285  1  0.244886  0.754249  0.565336  1
  Fe  Fe286  1  0.261832  0.205438  0.561826  1
  Fe  Fe287  1  0.488836  0.548157  0.510424  1
  Fe  Fe288  1  0.375063  0.876792  0.535933  1
  Fe  Fe289  1  0.019370  0.116331  0.503686  1
  Fe  Fe290  1  0.905388  0.444868  0.529208  1
  Fe  Fe291  1  0.791679  0.773460  0.554775  1
  Fe  Fe292  1  0.820555  0.190550  0.548632  1
  Fe  Fe293  1  0.706136  0.519164  0.574146  1
  Fe  Fe294  1  0.933380  0.861964  0.522834  1
  Fe  Fe295  1  0.437934  0.028808  0.521982  1
  Fe  Fe296  1  0.324332  0.357396  0.547576  1
  Fe  Fe297  1  0.210387  0.685967  0.573084  1
  Fe  Fe298  1  0.295639  0.940346  0.554087  1
  Fe  Fe299  1  0.523196  0.283061  0.502905  1
  Fe  Fe300  1  0.408988  0.611664  0.528404  1
  Fe  Fe301  1  0.413668  0.995468  0.571048  1
  Fe  Fe302  1  0.640434  0.338092  0.519773  1
  Fe  Fe303  1  0.526697  0.666654  0.545307  1
  Fe  Fe304  1  0.341720  0.974670  0.500299  1
  Fe  Fe305  1  0.228181  0.303208  0.525961  1
  Fe  Fe306  1  0.114099  0.631785  0.551501  1
  Fe  Fe307  1  0.957058  0.130010  0.561492  1
  Fe  Fe308  1  0.183786  0.472841  0.509757  1
  Fe  Fe309  1  0.070118  0.801475  0.535322  1
  Fe  Fe310  1  0.522139  0.161734  0.572633  1
  Fe  Fe311  1  0.748302  0.504480  0.521245  1
  Fe  Fe312  1  0.635828  0.833088  0.546768  1
  Fe  Fe313  1  0.694389  0.065563  0.537065  1
  Fe  Fe314  1  0.580034  0.394118  0.562705  1
  Fe  Fe315  1  0.806756  0.736817  0.511164  1
  Fe  Fe316  1  0.153261  0.908150  0.513433  1
  Fe  Fe317  1  0.039804  0.236717  0.539172  1
  Fe  Fe318  1  0.925680  0.565349  0.564642  1
  Fe  Fe319  1  0.189213  0.070330  0.538116  1
  Fe  Fe320  1  0.075060  0.398976  0.563675  1
  Fe  Fe321  1  0.302218  0.741670  0.512335  1
  Fe  Fe322  1  0.538296  0.231671  0.539607  1
  Fe  Fe323  1  0.424126  0.560248  0.565170  1
  Fe  Fe324  1  0.651822  0.903072  0.513858  1
  Fe  Fe325  1  0.423162  0.065232  0.565356  1
  Fe  Fe326  1  0.650515  0.408140  0.514193  1
  Fe  Fe327  1  0.536602  0.736673  0.539704  1
  Fe  Fe328  1  0.304355  0.236885  0.512120  1
  Fe  Fe329  1  0.190143  0.565448  0.537684  1
  Fe  Fe330  1  0.077079  0.894035  0.563405  1
  Fe  Fe331  1  0.928309  0.060471  0.564511  1
  Fe  Fe332  1  0.154978  0.403285  0.513040  1
  Fe  Fe333  1  0.041126  0.731851  0.538612  1
  Fe  Fe334  1  0.578063  0.899310  0.563065  1
  Fe  Fe335  1  0.805824  0.241846  0.511819  1
  Fe  Fe336  1  0.691500  0.570479  0.537325  1
  Fe  Fe337  1  0.254910  0.955214  0.607147  1
  Fe  Fe338  1  0.141833  0.284105  0.632867  1
  Fe  Fe339  1  0.367355  0.626349  0.581165  1
  Fe  Fe340  1  0.821567  0.986792  0.618700  1
  Fe  Fe341  1  0.707252  0.315891  0.644456  1
  Fe  Fe342  1  0.931631  0.658070  0.592542  1
  Fe  Fe343  1  0.777156  0.156059  0.602059  1
  Fe  Fe344  1  0.661229  0.484710  0.627835  1
  Fe  Fe345  1  0.548236  0.813046  0.652424  1
  Fe  Fe346  1  0.362865  0.121355  0.608506  1
  Fe  Fe347  1  0.249262  0.450052  0.634117  1
  Fe  Fe348  1  0.475621  0.792783  0.582640  1
  Fe  Fe349  1  0.665573  0.959035  0.583618  1
  Fe  Fe350  1  0.552328  0.287739  0.609391  1
  Fe  Fe351  1  0.437510  0.616267  0.634623  1
  Fe  Fe352  1  0.484230  0.985971  0.624653  1
  Fe  Fe353  1  0.368391  0.314630  0.650409  1
  Fe  Fe354  1  0.596209  0.657301  0.598984  1
  Fe  Fe355  1  0.110127  0.157836  0.596193  1
  Fe  Fe356  1  0.995489  0.486715  0.621638  1
  Fe  Fe357  1  0.883134  0.814689  0.647251  1
  Fe  Fe358  1  0.952672  0.117068  0.631922  1
  Fe  Fe359  1  0.178277  0.459443  0.580487  1
  Fe  Fe360  1  0.064187  0.787907  0.606049  1
  Fe  Fe361  1  0.645297  0.033562  0.588227  1
  Fe  Fe362  1  0.531237  0.362046  0.613902  1
  Fe  Fe363  1  0.415552  0.690967  0.639501  1
  Fe  Fe364  1  0.514883  0.911676  0.617735  1
  Fe  Fe365  1  0.402876  0.240549  0.643405  1
  Fe  Fe366  1  0.627010  0.582665  0.592030  1
  Fe  Fe367  1  0.133037  0.082957  0.591209  1
  Fe  Fe368  1  0.018243  0.411843  0.616686  1
  Fe  Fe369  1  0.905716  0.740057  0.642618  1
  Fe  Fe370  1  0.926523  0.191471  0.639002  1
  Fe  Fe371  1  0.147970  0.533968  0.587311  1
  Fe  Fe372  1  0.035506  0.862679  0.612781  1
  Fe  Fe373  1  0.680127  0.102024  0.580410  1
  Fe  Fe374  1  0.564603  0.430561  0.606201  1
  Fe  Fe375  1  0.450691  0.759154  0.631624  1
  Fe  Fe376  1  0.483326  0.177134  0.624962  1
  Fe  Fe377  1  0.364668  0.505294  0.651110  1
  Fe  Fe378  1  0.595298  0.848050  0.599314  1
  Fe  Fe379  1  0.098995  0.014569  0.599122  1
  Fe  Fe380  1  0.984910  0.343497  0.624829  1
  Fe  Fe381  1  0.869533  0.671866  0.650084  1
  Fe  Fe382  1  0.956420  0.925970  0.631039  1
  Fe  Fe383  1  0.182180  0.269043  0.579800  1
  Fe  Fe384  1  0.067893  0.597500  0.605361  1
  Fe  Fe385  1  0.073243  0.980703  0.647971  1
  Fe  Fe386  1  0.299359  0.324267  0.596848  1
  Fe  Fe387  1  0.185159  0.652535  0.622371  1
  Fe  Fe388  1  0.001541  0.960459  0.577226  1
  Fe  Fe389  1  0.888402  0.289249  0.602904  1
  Fe  Fe390  1  0.771617  0.617893  0.628265  1
  Fe  Fe391  1  0.619671  0.117322  0.636623  1
  Fe  Fe392  1  0.842875  0.458687  0.586844  1
  Fe  Fe393  1  0.730200  0.787410  0.612168  1
  Fe  Fe394  1  0.182858  0.147268  0.649659  1
  Fe  Fe395  1  0.408417  0.490289  0.598287  1
  Fe  Fe396  1  0.294732  0.818965  0.623586  1
  Fe  Fe397  1  0.353078  0.051302  0.613949  1
  Fe  Fe398  1  0.236733  0.380078  0.639761  1
  Fe  Fe399  1  0.466064  0.722587  0.588206  1
  Fe  Fe400  1  0.812829  0.894452  0.590508  1
  Fe  Fe401  1  0.700862  0.223532  0.616089  1
  Fe  Fe402  1  0.585029  0.552220  0.641689  1
  Fe  Fe403  1  0.849373  0.056103  0.615847  1
  Fe  Fe404  1  0.734188  0.385029  0.641182  1
  Fe  Fe405  1  0.961094  0.727584  0.589265  1
  Fe  Fe406  1  0.198804  0.218134  0.616137  1
  Fe  Fe407  1  0.084394  0.546037  0.642174  1
  Fe  Fe408  1  0.312426  0.889238  0.590469  1
  Fe  Fe409  1  0.081843  0.051742  0.643436  1
  Fe  Fe410  1  0.309073  0.393899  0.590972  1
  Fe  Fe411  1  0.195462  0.722467  0.616552  1
  Fe  Fe412  1  0.964071  0.222648  0.589283  1
  Fe  Fe413  1  0.849768  0.551408  0.614550  1
  Fe  Fe414  1  0.737029  0.879939  0.640456  1
  Fe  Fe415  1  0.588965  0.046283  0.640983  1
  Fe  Fe416  1  0.813745  0.389151  0.590052  1
  Fe  Fe417  1  0.700668  0.717576  0.615451  1
  Fe  Fe418  1  0.237701  0.884673  0.639883  1
  Fe  Fe419  1  0.464945  0.228040  0.588809  1
  Fe  Fe420  1  0.350405  0.556334  0.614312  1
  Fe  Fe421  1  0.914919  0.940898  0.683987  1
  Fe  Fe422  1  0.800828  0.270064  0.709545  1
  Fe  Fe423  1  0.027006  0.613056  0.658136  1
  Fe  Fe424  1  0.481442  0.971723  0.694975  1
  Fe  Fe425  1  0.379511  0.300283  0.721497  1
  Fe  Fe426  1  0.591010  0.644133  0.669702  1
  Fe  Fe427  1  0.438101  0.142867  0.678385  1
  Fe  Fe428  1  0.323572  0.471153  0.705561  1
  Fe  Fe429  1  0.226601  0.801246  0.731110  1
  Fe  Fe430  1  0.031599  0.107380  0.685038  1
  Fe  Fe431  1  0.909582  0.436567  0.709512  1
  Fe  Fe432  1  0.133158  0.778669  0.659886  1
  Fe  Fe433  1  0.325289  0.944614  0.660112  1
  Fe  Fe434  1  0.212965  0.273436  0.685412  1
  Fe  Fe435  1  0.098177  0.602559  0.709710  1
  Fe  Fe436  1  0.150992  0.971740  0.699579  1
  Fe  Fe437  1  0.050969  0.301447  0.725058  1
  Fe  Fe438  1  0.252130  0.643438  0.675054  1
  Fe  Fe439  1  0.772279  0.144800  0.672585  1
  Fe  Fe440  1  0.653153  0.473141  0.698335  1
  Fe  Fe441  1  0.545913  0.800230  0.722301  1
  Fe  Fe442  1  0.612731  0.103103  0.707206  1
  Fe  Fe443  1  0.835408  0.445934  0.657430  1
  Fe  Fe444  1  0.723670  0.773692  0.682566  1
  Fe  Fe445  1  0.306652  0.020588  0.665328  1
  Fe  Fe446  1  0.189086  0.349356  0.691304  1
  Fe  Fe447  1  0.079855  0.677241  0.716552  1
  Fe  Fe448  1  0.173307  0.896695  0.694788  1
  Fe  Fe449  1  0.065940  0.225865  0.720598  1
  Fe  Fe450  1  0.285158  0.568245  0.668975  1
  Fe  Fe451  1  0.794612  0.069819  0.667780  1
  Fe  Fe452  1  0.677223  0.399653  0.692611  1
  Fe  Fe453  1  0.563813  0.725926  0.720951  1
  Fe  Fe454  1  0.582963  0.178830  0.718020  1
  Fe  Fe455  1  0.808013  0.520358  0.663711  1
  Fe  Fe456  1  0.696823  0.847298  0.688318  1
  Fe  Fe457  1  0.337154  0.088093  0.657790  1
  Fe  Fe458  1  0.218698  0.416909  0.683331  1
  Fe  Fe459  1  0.105332  0.745265  0.709801  1
  Fe  Fe460  1  0.138772  0.162273  0.703414  1
  Fe  Fe461  1  0.005210  0.491614  0.729817  1
  Fe  Fe462  1  0.248931  0.833497  0.676857  1
  Fe  Fe463  1  0.755555  0.001866  0.677000  1
  Fe  Fe464  1  0.639581  0.330580  0.701955  1
  Fe  Fe465  1  0.527407  0.656826  0.727551  1
  Fe  Fe466  1  0.613515  0.910820  0.707942  1
  Fe  Fe467  1  0.844359  0.255266  0.656966  1
  Fe  Fe468  1  0.726535  0.584373  0.681739  1
  Fe  Fe469  1  0.761975  0.962919  0.726256  1
  Fe  Fe470  1  0.958419  0.309939  0.674434  1
  Fe  Fe471  1  0.839737  0.639282  0.699255  1
  Fe  Fe472  1  0.662833  0.946408  0.654510  1
  Fe  Fe473  1  0.549963  0.275781  0.680121  1
  Fe  Fe474  1  0.436712  0.602518  0.706060  1
  Fe  Fe475  1  0.300316  0.100831  0.715744  1
  Fe  Fe476  1  0.503466  0.445594  0.662454  1
  Fe  Fe477  1  0.390096  0.773595  0.688635  1
  Fe  Fe478  1  0.857271  0.133855  0.727173  1
  Fe  Fe479  1  0.065358  0.476481  0.675532  1
  Fe  Fe480  1  0.955033  0.805436  0.699832  1
  Fe  Fe481  1  0.015618  0.039186  0.691232  1
  Fe  Fe482  1  0.900115  0.365652  0.717414  1
  Fe  Fe483  1  0.123878  0.708622  0.665203  1
  Fe  Fe484  1  0.473679  0.880154  0.666758  1
  Fe  Fe485  1  0.361597  0.208712  0.692326  1
  Fe  Fe486  1  0.243768  0.538126  0.718775  1
  Fe  Fe487  1  0.517395  0.043154  0.690706  1
  Fe  Fe488  1  0.396205  0.373072  0.718058  1
  Fe  Fe489  1  0.618670  0.713572  0.666412  1
  Fe  Fe490  1  0.858443  0.203646  0.693655  1
  Fe  Fe491  1  0.749095  0.536254  0.717995  1
  Fe  Fe492  1  0.971887  0.874119  0.668007  1
  Fe  Fe493  1  0.780287  0.037991  0.722773  1
  Fe  Fe494  1  0.968637  0.380718  0.668547  1
  Fe  Fe495  1  0.849933  0.708343  0.693718  1
  Fe  Fe496  1  0.623788  0.208903  0.666072  1
  Fe  Fe497  1  0.507039  0.537571  0.691740  1
  Fe  Fe498  1  0.398910  0.865820  0.716603  1
  Fe  Fe499  1  0.280175  0.027636  0.716601  1
  Fe  Fe500  1  0.473190  0.374680  0.666796  1
  Fe  Fe501  1  0.355506  0.703980  0.692511  1
  Fe  Fe502  1  0.902171  0.872764  0.717860  1
  Fe  Fe503  1  0.125456  0.213862  0.665756  1
  Fe  Fe504  1  0.009462  0.542027  0.690724  1
  C  C505  1  0.455436  0.972225  0.290973  1
  C  C506  1  0.342895  0.300891  0.317025  1
  C  C507  1  0.229315  0.628827  0.343777  1
  C  C508  1  0.249314  0.078829  0.339453  1
  C  C509  1  0.474672  0.421052  0.286934  1
  C  C510  1  0.351872  0.750210  0.312098  1
  C  C511  1  0.044671  0.259387  0.271457  1
  C  C512  1  0.929808  0.586169  0.297558  1
  C  C513  1  0.815633  0.915317  0.323129  1
  C  C514  1  0.920610  0.136286  0.301244  1
  C  C515  1  0.799431  0.464943  0.326613  1
  C  C516  1  0.983450  0.809742  0.279712  1
  C  C517  1  0.807606  0.995260  0.277734  1
  C  C518  1  0.698818  0.323171  0.302553  1
  C  C519  1  0.577557  0.652647  0.327571  1
  C  C520  1  0.238449  0.069144  0.277927  1
  C  C521  1  0.125979  0.397074  0.304160  1
  C  C522  1  0.007272  0.725408  0.329896  1
  C  C523  1  0.071827  0.225439  0.330900  1
  C  C524  1  0.290477  0.568251  0.280371  1
  C  C525  1  0.182321  0.897720  0.305671  1
  C  C526  1  0.550944  0.154118  0.319587  1
  C  C527  1  0.435308  0.483016  0.344924  1
  C  C528  1  0.651188  0.825502  0.294725  1
  C  C529  1  0.692162  0.233520  0.287902  1
  C  C530  1  0.577361  0.562711  0.312272  1
  C  C531  1  0.464985  0.891714  0.338263  1
  C  C532  1  0.262872  0.161588  0.287748  1
  C  C533  1  0.152643  0.489157  0.312314  1
  C  C534  1  0.034748  0.817775  0.338154  1
  C  C535  1  0.092881  0.989195  0.311079  1
  C  C536  1  0.979509  0.317291  0.335655  1
  C  C537  1  0.201985  0.659890  0.284988  1
  C  C538  1  0.613957  0.061721  0.320551  1
  C  C539  1  0.837160  0.403306  0.270574  1
  C  C540  1  0.723176  0.730309  0.295811  1
  C  C541  1  0.115912  0.957725  0.369279  1
  C  C542  1  0.002735  0.286406  0.394200  1
  C  C543  1  0.888864  0.615035  0.419774  1
  C  C544  1  0.907125  0.064760  0.416236  1
  C  C545  1  0.135050  0.407956  0.365025  1
  C  C546  1  0.019923  0.736237  0.390773  1
  C  C547  1  0.703083  0.243169  0.349220  1
  C  C548  1  0.588932  0.571972  0.374456  1
  C  C549  1  0.475586  0.900904  0.400270  1
  C  C550  1  0.573851  0.122695  0.378661  1
  C  C551  1  0.460388  0.451215  0.404208  1
  C  C552  1  0.685495  0.794403  0.352143  1
  C  C553  1  0.468241  0.981939  0.353987  1
  C  C554  1  0.354986  0.310417  0.379413  1
  C  C555  1  0.240794  0.639043  0.404948  1
  C  C556  1  0.896547  0.055689  0.354411  1
  C  C557  1  0.783547  0.383877  0.379528  1
  C  C558  1  0.668759  0.712815  0.404932  1
  C  C559  1  0.728595  0.211788  0.408090  1
  C  C560  1  0.952512  0.554021  0.356333  1
  C  C561  1  0.840675  0.882827  0.382077  1
  C  C562  1  0.208018  0.140520  0.396909  1
  C  C563  1  0.093394  0.469143  0.422512  1
  C  C564  1  0.319595  0.811752  0.370822  1
  C  C565  1  0.352953  0.219953  0.364010  1
  C  C566  1  0.238680  0.548210  0.389577  1
  C  C567  1  0.125347  0.876965  0.415272  1
  C  C568  1  0.924641  0.146382  0.363754  1
  C  C569  1  0.808671  0.475101  0.389185  1
  C  C570  1  0.694854  0.803813  0.414830  1
  C  C571  1  0.750869  0.975614  0.386654  1
  C  C572  1  0.638474  0.304299  0.412480  1
  C  C573  1  0.861811  0.645745  0.361385  1
  C  C574  1  0.273561  0.047029  0.397990  1
  C  C575  1  0.502322  0.388936  0.346654  1
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