# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.07594375
_cell_length_b   17.26140482
_cell_length_c   47.84796960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.11093011
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe450 C180'
_cell_volume   11201.9451687
_cell_formula_units_Z   90
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  0.247004  0.580715  0.310128  1
  Fe  Fe2  1  0.548955  0.579381  0.279393  1
  Fe  Fe3  1  0.580337  0.247382  0.310128  1
  Fe  Fe4  1  0.943066  0.580772  0.340721  1
  Fe  Fe5  1  0.882288  0.246048  0.279393  1
  Fe  Fe6  1  0.913671  0.914048  0.310128  1
  Fe  Fe7  1  0.276399  0.247439  0.340721  1
  Fe  Fe8  1  0.215622  0.912714  0.279393  1
  Fe  Fe9  1  0.609733  0.914106  0.340721  1
  Fe  Fe10  1  0.072806  0.453551  0.355997  1
  Fe  Fe11  1  0.375900  0.453712  0.326002  1
  Fe  Fe12  1  0.406139  0.120218  0.355997  1
  Fe  Fe13  1  0.682601  0.449794  0.294282  1
  Fe  Fe14  1  0.709234  0.120379  0.326002  1
  Fe  Fe15  1  0.739473  0.786885  0.355997  1
  Fe  Fe16  1  0.015935  0.116461  0.294282  1
  Fe  Fe17  1  0.042567  0.787045  0.326002  1
  Fe  Fe18  1  0.349268  0.783128  0.294282  1
  Fe  Fe19  1  0.137982  0.660224  0.347538  1
  Fe  Fe20  1  0.441770  0.660100  0.317631  1
  Fe  Fe21  1  0.471315  0.326891  0.347538  1
  Fe  Fe22  1  0.742480  0.660073  0.287302  1
  Fe  Fe23  1  0.775103  0.326767  0.317631  1
  Fe  Fe24  1  0.804649  0.993558  0.347538  1
  Fe  Fe25  1  0.075813  0.326740  0.287302  1
  Fe  Fe26  1  0.108436  0.993433  0.317631  1
  Fe  Fe27  1  0.409146  0.993406  0.287302  1
  Fe  Fe28  1  0.027401  0.661228  0.309022  1
  Fe  Fe29  1  0.329532  0.660429  0.278824  1
  Fe  Fe30  1  0.360734  0.327895  0.309022  1
  Fe  Fe31  1  0.723721  0.659904  0.338929  1
  Fe  Fe32  1  0.662865  0.327096  0.278824  1
  Fe  Fe33  1  0.694067  0.994562  0.309022  1
  Fe  Fe34  1  0.057054  0.326570  0.338929  1
  Fe  Fe35  1  0.996199  0.993762  0.278824  1
  Fe  Fe36  1  0.390387  0.993237  0.338929  1
  Fe  Fe37  1  0.290966  0.375609  0.357578  1
  Fe  Fe38  1  0.595520  0.374213  0.327926  1
  Fe  Fe39  1  0.624299  0.042276  0.357578  1
  Fe  Fe40  1  0.897596  0.372610  0.297600  1
  Fe  Fe41  1  0.928854  0.040880  0.327926  1
  Fe  Fe42  1  0.957633  0.708943  0.357578  1
  Fe  Fe43  1  0.230930  0.039277  0.297600  1
  Fe  Fe44  1  0.262187  0.707547  0.327926  1
  Fe  Fe45  1  0.564263  0.705943  0.297600  1
  Fe  Fe46  1  0.337718  0.580770  0.351464  1
  Fe  Fe47  1  0.640541  0.578961  0.321210  1
  Fe  Fe48  1  0.671051  0.247437  0.351464  1
  Fe  Fe49  1  0.940853  0.580674  0.289844  1
  Fe  Fe50  1  0.973875  0.245628  0.321210  1
  Fe  Fe51  1  0.004385  0.914104  0.351464  1
  Fe  Fe52  1  0.274186  0.247340  0.289844  1
  Fe  Fe53  1  0.307208  0.912295  0.321210  1
  Fe  Fe54  1  0.607520  0.914007  0.289844  1
  Fe  Fe55  1  0.126777  0.517017  0.311108  1
  Fe  Fe56  1  0.431020  0.516144  0.281797  1
  Fe  Fe57  1  0.460110  0.183683  0.311108  1
  Fe  Fe58  1  0.824346  0.517458  0.341809  1
  Fe  Fe59  1  0.764354  0.182810  0.281797  1
  Fe  Fe60  1  0.793444  0.850350  0.311108  1
  Fe  Fe61  1  0.157679  0.184124  0.341809  1
  Fe  Fe62  1  0.097687  0.849477  0.281797  1
  Fe  Fe63  1  0.491013  0.850791  0.341809  1
  Fe  Fe64  1  0.980332  0.453902  0.315188  1
  Fe  Fe65  1  0.283732  0.453179  0.284498  1
  Fe  Fe66  1  0.313666  0.120568  0.315188  1
  Fe  Fe67  1  0.678523  0.454021  0.345763  1
  Fe  Fe68  1  0.617065  0.119846  0.284498  1
  Fe  Fe69  1  0.646999  0.787235  0.315188  1
  Fe  Fe70  1  0.011856  0.120687  0.345763  1
  Fe  Fe71  1  0.950399  0.786512  0.284498  1
  Fe  Fe72  1  0.345190  0.787354  0.345763  1
  Fe  Fe73  1  0.181585  0.374024  0.318901  1
  Fe  Fe74  1  0.485873  0.373393  0.288963  1
  Fe  Fe75  1  0.514918  0.040691  0.318901  1
  Fe  Fe76  1  0.877143  0.374724  0.349350  1
  Fe  Fe77  1  0.819206  0.040060  0.288963  1
  Fe  Fe78  1  0.848252  0.707357  0.318901  1
  Fe  Fe79  1  0.210476  0.041391  0.349350  1
  Fe  Fe80  1  0.152539  0.706727  0.288963  1
  Fe  Fe81  1  0.543810  0.708058  0.349350  1
  Fe  Fe82  1  0.191870  0.517689  0.354954  1
  Fe  Fe83  1  0.495322  0.517005  0.324992  1
  Fe  Fe84  1  0.525204  0.184356  0.354954  1
  Fe  Fe85  1  0.797391  0.517076  0.294691  1
  Fe  Fe86  1  0.828656  0.183672  0.324992  1
  Fe  Fe87  1  0.858537  0.851022  0.354954  1
  Fe  Fe88  1  0.130725  0.183743  0.294691  1
  Fe  Fe89  1  0.161989  0.850338  0.324992  1
  Fe  Fe90  1  0.464058  0.850410  0.294691  1
  Fe  Fe91  1  0.336527  0.582686  0.401463  1
  Fe  Fe92  1  0.639903  0.581795  0.371406  1
  Fe  Fe93  1  0.669861  0.249352  0.401463  1
  Fe  Fe94  1  0.033072  0.583981  0.431765  1
  Fe  Fe95  1  0.973237  0.248461  0.371406  1
  Fe  Fe96  1  0.003194  0.916019  0.401463  1
  Fe  Fe97  1  0.366405  0.250647  0.431765  1
  Fe  Fe98  1  0.306570  0.915128  0.371406  1
  Fe  Fe99  1  0.699739  0.917314  0.431765  1
  Fe  Fe100  1  0.162818  0.456907  0.446870  1
  Fe  Fe101  1  0.466060  0.455677  0.416749  1
  Fe  Fe102  1  0.496151  0.123574  0.446870  1
  Fe  Fe103  1  0.769485  0.454715  0.386384  1
  Fe  Fe104  1  0.799393  0.122344  0.416749  1
  Fe  Fe105  1  0.829484  0.790241  0.446870  1
  Fe  Fe106  1  0.102819  0.121381  0.386384  1
  Fe  Fe107  1  0.132727  0.789010  0.416749  1
  Fe  Fe108  1  0.436152  0.788048  0.386384  1
  Fe  Fe109  1  0.228560  0.663134  0.438318  1
  Fe  Fe110  1  0.531688  0.662155  0.408163  1
  Fe  Fe111  1  0.561893  0.329800  0.438318  1
  Fe  Fe112  1  0.835281  0.661101  0.377653  1
  Fe  Fe113  1  0.865021  0.328822  0.408163  1
  Fe  Fe114  1  0.895226  0.996467  0.438318  1
  Fe  Fe115  1  0.168614  0.327768  0.377653  1
  Fe  Fe116  1  0.198354  0.995488  0.408163  1
  Fe  Fe117  1  0.501948  0.994435  0.377653  1
  Fe  Fe118  1  0.117526  0.661409  0.399394  1
  Fe  Fe119  1  0.420956  0.660873  0.369346  1
  Fe  Fe120  1  0.450859  0.328075  0.399394  1
  Fe  Fe121  1  0.814477  0.662655  0.429729  1
  Fe  Fe122  1  0.754289  0.327540  0.369346  1
  Fe  Fe123  1  0.784193  0.994742  0.399394  1
  Fe  Fe124  1  0.147811  0.329322  0.429729  1
  Fe  Fe125  1  0.087622  0.994206  0.369346  1
  Fe  Fe126  1  0.481144  0.995989  0.429729  1
  Fe  Fe127  1  0.381550  0.378198  0.448994  1
  Fe  Fe128  1  0.685292  0.376823  0.418854  1
  Fe  Fe129  1  0.714883  0.044865  0.448994  1
  Fe  Fe130  1  0.988364  0.375938  0.388351  1
  Fe  Fe131  1  0.018626  0.043490  0.418854  1
  Fe  Fe132  1  0.048217  0.711532  0.448994  1
  Fe  Fe133  1  0.321697  0.042605  0.388351  1
  Fe  Fe134  1  0.351959  0.710156  0.418854  1
  Fe  Fe135  1  0.655031  0.709272  0.388351  1
  Fe  Fe136  1  0.427557  0.583941  0.442475  1
  Fe  Fe137  1  0.730806  0.583004  0.412048  1
  Fe  Fe138  1  0.760890  0.250607  0.442475  1
  Fe  Fe139  1  0.034210  0.581934  0.381637  1
  Fe  Fe140  1  0.064140  0.249671  0.412048  1
  Fe  Fe141  1  0.094224  0.917274  0.442475  1
  Fe  Fe142  1  0.367543  0.248601  0.381637  1
  Fe  Fe143  1  0.397473  0.916338  0.412048  1
  Fe  Fe144  1  0.700877  0.915268  0.381637  1
  Fe  Fe145  1  0.217600  0.518892  0.402505  1
  Fe  Fe146  1  0.520690  0.517777  0.372505  1
  Fe  Fe147  1  0.550934  0.185558  0.402505  1
  Fe  Fe148  1  0.914251  0.520186  0.432821  1
  Fe  Fe149  1  0.854023  0.184444  0.372505  1
  Fe  Fe150  1  0.884267  0.852225  0.402505  1
  Fe  Fe151  1  0.247584  0.186852  0.432821  1
  Fe  Fe152  1  0.187356  0.851111  0.372505  1
  Fe  Fe153  1  0.580918  0.853519  0.432821  1
  Fe  Fe154  1  0.072045  0.455664  0.406054  1
  Fe  Fe155  1  0.375034  0.454562  0.375742  1
  Fe  Fe156  1  0.405378  0.122331  0.406054  1
  Fe  Fe157  1  0.768621  0.456961  0.436456  1
  Fe  Fe158  1  0.708367  0.121228  0.375742  1
  Fe  Fe159  1  0.738712  0.788998  0.406054  1
  Fe  Fe160  1  0.101954  0.123628  0.436456  1
  Fe  Fe161  1  0.041701  0.787895  0.375742  1
  Fe  Fe162  1  0.435287  0.790294  0.436456  1
  Fe  Fe163  1  0.270660  0.376438  0.410040  1
  Fe  Fe164  1  0.574362  0.375255  0.379936  1
  Fe  Fe165  1  0.603993  0.043105  0.410040  1
  Fe  Fe166  1  0.967361  0.377690  0.440448  1
  Fe  Fe167  1  0.907695  0.041921  0.379936  1
  Fe  Fe168  1  0.937327  0.709772  0.410040  1
  Fe  Fe169  1  0.300695  0.044357  0.440448  1
  Fe  Fe170  1  0.241029  0.708588  0.379936  1
  Fe  Fe171  1  0.634028  0.711023  0.440448  1
  Fe  Fe172  1  0.281748  0.520833  0.445841  1
  Fe  Fe173  1  0.585188  0.519812  0.415689  1
  Fe  Fe174  1  0.615082  0.187499  0.445841  1
  Fe  Fe175  1  0.888514  0.518616  0.385279  1
  Fe  Fe176  1  0.918521  0.186479  0.415689  1
  Fe  Fe177  1  0.948415  0.854166  0.445841  1
  Fe  Fe178  1  0.221847  0.185283  0.385279  1
  Fe  Fe179  1  0.251855  0.853146  0.415689  1
  Fe  Fe180  1  0.555181  0.851950  0.385279  1
  Fe  Fe181  1  0.426297  0.586463  0.492411  1
  Fe  Fe182  1  0.729773  0.585200  0.462196  1
  Fe  Fe183  1  0.759630  0.253130  0.492411  1
  Fe  Fe184  1  0.122747  0.587702  0.522743  1
  Fe  Fe185  1  0.063107  0.251866  0.462196  1
  Fe  Fe186  1  0.092964  0.919796  0.492411  1
  Fe  Fe187  1  0.456080  0.254369  0.522743  1
  Fe  Fe188  1  0.396440  0.918533  0.462196  1
  Fe  Fe189  1  0.789413  0.921036  0.522743  1
  Fe  Fe190  1  0.252318  0.460713  0.537803  1
  Fe  Fe191  1  0.555794  0.459449  0.507588  1
  Fe  Fe192  1  0.585651  0.127379  0.537803  1
  Fe  Fe193  1  0.859344  0.458210  0.477256  1
  Fe  Fe194  1  0.889127  0.126116  0.507588  1
  Fe  Fe195  1  0.918984  0.794046  0.537803  1
  Fe  Fe196  1  0.192678  0.124877  0.477256  1
  Fe  Fe197  1  0.222460  0.792783  0.507588  1
  Fe  Fe198  1  0.526011  0.791543  0.477256  1
  Fe  Fe199  1  0.318067  0.667041  0.529212  1
  Fe  Fe200  1  0.621614  0.665785  0.498977  1
  Fe  Fe201  1  0.651400  0.333708  0.529212  1
  Fe  Fe202  1  0.925213  0.664455  0.468586  1
  Fe  Fe203  1  0.954947  0.332452  0.498977  1
  Fe  Fe204  1  0.984734  0.000375  0.529212  1
  Fe  Fe205  1  0.258547  0.331122  0.468586  1
  Fe  Fe206  1  0.288280  0.999118  0.498977  1
  Fe  Fe207  1  0.591880  0.997789  0.468586  1
  Fe  Fe208  1  0.207177  0.665191  0.490324  1
  Fe  Fe209  1  0.510939  0.663977  0.460084  1
  Fe  Fe210  1  0.540511  0.331858  0.490324  1
  Fe  Fe211  1  0.904019  0.666352  0.520688  1
  Fe  Fe212  1  0.844273  0.330644  0.460084  1
  Fe  Fe213  1  0.873844  0.998524  0.490324  1
  Fe  Fe214  1  0.237353  0.333019  0.520688  1
  Fe  Fe215  1  0.177606  0.997310  0.460084  1
  Fe  Fe216  1  0.570686  0.999686  0.520688  1
  Fe  Fe217  1  0.471152  0.381935  0.539915  1
  Fe  Fe218  1  0.774914  0.380721  0.509674  1
  Fe  Fe219  1  0.804485  0.048602  0.539915  1
  Fe  Fe220  1  0.078072  0.379560  0.479311  1
  Fe  Fe221  1  0.108247  0.047388  0.509674  1
  Fe  Fe222  1  0.137818  0.715269  0.539915  1
  Fe  Fe223  1  0.411405  0.046227  0.479311  1
  Fe  Fe224  1  0.441580  0.714055  0.509674  1
  Fe  Fe225  1  0.744738  0.712893  0.479311  1
  Fe  Fe226  1  0.517234  0.587874  0.533330  1
  Fe  Fe227  1  0.820488  0.586681  0.502989  1
  Fe  Fe228  1  0.850567  0.254541  0.533330  1
  Fe  Fe229  1  0.123897  0.585249  0.472636  1
  Fe  Fe230  1  0.153821  0.253348  0.502989  1
  Fe  Fe231  1  0.183901  0.921207  0.533330  1
  Fe  Fe232  1  0.457230  0.251916  0.472636  1
  Fe  Fe233  1  0.487154  0.920015  0.502989  1
  Fe  Fe234  1  0.790563  0.918582  0.472636  1
  Fe  Fe235  1  0.307034  0.522451  0.493513  1
  Fe  Fe236  1  0.610675  0.521289  0.463224  1
  Fe  Fe237  1  0.640368  0.189118  0.493513  1
  Fe  Fe238  1  0.003671  0.523838  0.523838  1
  Fe  Fe239  1  0.944009  0.187956  0.463224  1
  Fe  Fe240  1  0.973701  0.855784  0.493513  1
  Fe  Fe241  1  0.337004  0.190505  0.523838  1
  Fe  Fe242  1  0.277342  0.854622  0.463224  1
  Fe  Fe243  1  0.670338  0.857171  0.523838  1
  Fe  Fe244  1  0.161603  0.459231  0.497010  1
  Fe  Fe245  1  0.464857  0.458038  0.466668  1
  Fe  Fe246  1  0.494936  0.125898  0.497010  1
  Fe  Fe247  1  0.858194  0.460663  0.527363  1
  Fe  Fe248  1  0.798190  0.124705  0.466668  1
  Fe  Fe249  1  0.828270  0.792564  0.497010  1
  Fe  Fe250  1  0.191528  0.127330  0.527363  1
  Fe  Fe251  1  0.131523  0.791372  0.466668  1
  Fe  Fe252  1  0.524861  0.793997  0.527363  1
  Fe  Fe253  1  0.360477  0.380127  0.501021  1
  Fe  Fe254  1  0.664024  0.378871  0.470787  1
  Fe  Fe255  1  0.693811  0.046794  0.501021  1
  Fe  Fe256  1  0.056877  0.381457  0.531413  1
  Fe  Fe257  1  0.997357  0.045538  0.470787  1
  Fe  Fe258  1  0.027144  0.713461  0.501021  1
  Fe  Fe259  1  0.390211  0.048124  0.531413  1
  Fe  Fe260  1  0.330691  0.712204  0.470787  1
  Fe  Fe261  1  0.723544  0.714790  0.531413  1
  Fe  Fe262  1  0.371416  0.524623  0.536775  1
  Fe  Fe263  1  0.675057  0.523461  0.506485  1
  Fe  Fe264  1  0.704749  0.191290  0.536775  1
  Fe  Fe265  1  0.978420  0.522074  0.476161  1
  Fe  Fe266  1  0.008390  0.190128  0.506485  1
  Fe  Fe267  1  0.038082  0.857957  0.536775  1
  Fe  Fe268  1  0.311753  0.188741  0.476161  1
  Fe  Fe269  1  0.341723  0.856795  0.506485  1
  Fe  Fe270  1  0.645087  0.855408  0.476161  1
  Fe  Fe271  1  0.516031  0.590235  0.583250  1
  Fe  Fe272  1  0.819273  0.589005  0.553129  1
  Fe  Fe273  1  0.849364  0.256902  0.583250  1
  Fe  Fe274  1  0.212606  0.591198  0.613615  1
  Fe  Fe275  1  0.152606  0.255672  0.553129  1
  Fe  Fe276  1  0.182698  0.923569  0.583250  1
  Fe  Fe277  1  0.545939  0.257864  0.613615  1
  Fe  Fe278  1  0.485940  0.922338  0.553129  1
  Fe  Fe279  1  0.879272  0.924531  0.613615  1
  Fe  Fe280  1  0.342187  0.464118  0.628593  1
  Fe  Fe281  1  0.645564  0.463227  0.598536  1
  Fe  Fe282  1  0.675521  0.130784  0.628593  1
  Fe  Fe283  1  0.949019  0.461932  0.568233  1
  Fe  Fe284  1  0.978897  0.129893  0.598536  1
  Fe  Fe285  1  0.008854  0.797451  0.628593  1
  Fe  Fe286  1  0.282352  0.128598  0.568233  1
  Fe  Fe287  1  0.312230  0.796560  0.598536  1
  Fe  Fe288  1  0.615685  0.795265  0.568233  1
  Fe  Fe289  1  0.407729  0.670658  0.620063  1
  Fe  Fe290  1  0.711431  0.669474  0.589959  1
  Fe  Fe291  1  0.741062  0.337324  0.620063  1
  Fe  Fe292  1  0.014730  0.668222  0.559551  1
  Fe  Fe293  1  0.044764  0.336141  0.589959  1
  Fe  Fe294  1  0.074396  0.003991  0.620063  1
  Fe  Fe295  1  0.348063  0.334889  0.559551  1
  Fe  Fe296  1  0.378098  0.002807  0.589959  1
  Fe  Fe297  1  0.681396  0.001556  0.559551  1
  Fe  Fe298  1  0.296798  0.669089  0.581145  1
  Fe  Fe299  1  0.600541  0.667714  0.551005  1
  Fe  Fe300  1  0.630132  0.335756  0.581145  1
  Fe  Fe301  1  0.993727  0.669974  0.611648  1
  Fe  Fe302  1  0.933874  0.334381  0.551005  1
  Fe  Fe303  1  0.963465  0.002423  0.581145  1
  Fe  Fe304  1  0.327060  0.336641  0.611648  1
  Fe  Fe305  1  0.267207  0.001047  0.551005  1
  Fe  Fe306  1  0.660393  0.003307  0.611648  1
  Fe  Fe307  1  0.561135  0.385039  0.630653  1
  Fe  Fe308  1  0.864565  0.384504  0.600605  1
  Fe  Fe309  1  0.894469  0.051706  0.630653  1
  Fe  Fe310  1  0.167613  0.383257  0.570270  1
  Fe  Fe311  1  0.197898  0.051170  0.600605  1
  Fe  Fe312  1  0.227802  0.718373  0.630653  1
  Fe  Fe313  1  0.500947  0.049924  0.570270  1
  Fe  Fe314  1  0.531231  0.717837  0.600605  1
  Fe  Fe315  1  0.834280  0.716590  0.570270  1
  Fe  Fe316  1  0.607057  0.591351  0.624257  1
  Fe  Fe317  1  0.910046  0.590248  0.593945  1
  Fe  Fe318  1  0.940390  0.258017  0.624257  1
  Fe  Fe319  1  0.213470  0.588951  0.563542  1
  Fe  Fe320  1  0.243379  0.256915  0.593945  1
  Fe  Fe321  1  0.273724  0.924684  0.624257  1
  Fe  Fe322  1  0.546803  0.255618  0.563542  1
  Fe  Fe323  1  0.576713  0.923581  0.593945  1
  Fe  Fe324  1  0.880137  0.922285  0.563542  1
  Fe  Fe325  1  0.396903  0.526100  0.584309  1
  Fe  Fe326  1  0.700343  0.525080  0.554157  1
  Fe  Fe327  1  0.730236  0.192767  0.584309  1
  Fe  Fe328  1  0.093577  0.527296  0.614720  1
  Fe  Fe329  1  0.033676  0.191746  0.554157  1
  Fe  Fe330  1  0.063569  0.859433  0.584309  1
  Fe  Fe331  1  0.426910  0.193963  0.614720  1
  Fe  Fe332  1  0.367009  0.858413  0.554157  1
  Fe  Fe333  1  0.760244  0.860629  0.614720  1
  Fe  Fe334  1  0.251284  0.462908  0.587950  1
  Fe  Fe335  1  0.554534  0.461972  0.557524  1
  Fe  Fe336  1  0.584618  0.129575  0.587950  1
  Fe  Fe337  1  0.947881  0.463978  0.618361  1
  Fe  Fe338  1  0.887867  0.128638  0.557524  1
  Fe  Fe339  1  0.917951  0.796241  0.587950  1
  Fe  Fe340  1  0.281214  0.130645  0.618361  1
  Fe  Fe341  1  0.221200  0.795305  0.557524  1
  Fe  Fe342  1  0.614547  0.797311  0.618361  1
  Fe  Fe343  1  0.450403  0.383757  0.591836  1
  Fe  Fe344  1  0.753531  0.382779  0.561681  1
  Fe  Fe345  1  0.783737  0.050424  0.591836  1
  Fe  Fe346  1  0.146810  0.384811  0.622346  1
  Fe  Fe347  1  0.086865  0.049445  0.561681  1
  Fe  Fe348  1  0.117070  0.717091  0.591836  1
  Fe  Fe349  1  0.480143  0.051478  0.622346  1
  Fe  Fe350  1  0.420198  0.716112  0.561681  1
  Fe  Fe351  1  0.813476  0.718144  0.622346  1
  Fe  Fe352  1  0.461401  0.528135  0.627493  1
  Fe  Fe353  1  0.764490  0.527021  0.597493  1
  Fe  Fe354  1  0.794735  0.194802  0.627493  1
  Fe  Fe355  1  0.067840  0.525727  0.567178  1
  Fe  Fe356  1  0.097824  0.193687  0.597493  1
  Fe  Fe357  1  0.128068  0.861468  0.627493  1
  Fe  Fe358  1  0.401173  0.192393  0.567178  1
  Fe  Fe359  1  0.431157  0.860354  0.597493  1
  Fe  Fe360  1  0.734506  0.859060  0.567178  1
  Fe  Fe361  1  0.606191  0.592200  0.673997  1
  Fe  Fe362  1  0.909285  0.592361  0.644002  1
  Fe  Fe363  1  0.939524  0.258867  0.673997  1
  Fe  Fe364  1  0.299489  0.596118  0.705717  1
  Fe  Fe365  1  0.242618  0.259028  0.644002  1
  Fe  Fe366  1  0.272857  0.925534  0.673997  1
  Fe  Fe367  1  0.632823  0.262785  0.705717  1
  Fe  Fe368  1  0.575952  0.925694  0.644002  1
  Fe  Fe369  1  0.966156  0.929451  0.705717  1
  Fe  Fe370  1  0.433136  0.466531  0.720606  1
  Fe  Fe371  1  0.735087  0.465197  0.689870  1
  Fe  Fe372  1  0.766469  0.133198  0.720606  1
  Fe  Fe373  1  0.039025  0.465140  0.659278  1
  Fe  Fe374  1  0.068420  0.131864  0.689870  1
  Fe  Fe375  1  0.099803  0.799865  0.720606  1
  Fe  Fe376  1  0.372358  0.131807  0.659278  1
  Fe  Fe377  1  0.401753  0.798531  0.689870  1
  Fe  Fe378  1  0.705692  0.798473  0.659278  1
  Fe  Fe379  1  0.496218  0.672519  0.711036  1
  Fe  Fe380  1  0.800506  0.671888  0.681098  1
  Fe  Fe381  1  0.829551  0.339186  0.711036  1
  Fe  Fe382  1  0.104948  0.671188  0.650649  1
  Fe  Fe383  1  0.133839  0.338555  0.681098  1
  Fe  Fe384  1  0.162885  0.005852  0.711036  1
  Fe  Fe385  1  0.438281  0.337855  0.650649  1
  Fe  Fe386  1  0.467173  0.005222  0.681098  1
  Fe  Fe387  1  0.771615  0.004521  0.650649  1
  Fe  Fe388  1  0.386571  0.671699  0.672073  1
  Fe  Fe389  1  0.691125  0.670303  0.642420  1
  Fe  Fe390  1  0.719904  0.338366  0.672073  1
  Fe  Fe391  1  0.084494  0.673302  0.702399  1
  Fe  Fe392  1  0.024458  0.336970  0.642420  1
  Fe  Fe393  1  0.053237  0.005032  0.672073  1
  Fe  Fe394  1  0.417828  0.339969  0.702399  1
  Fe  Fe395  1  0.357792  0.003636  0.642420  1
  Fe  Fe396  1  0.751161  0.006636  0.702399  1
  Fe  Fe397  1  0.652559  0.385483  0.721175  1
  Fe  Fe398  1  0.954690  0.384684  0.690977  1
  Fe  Fe399  1  0.985892  0.052150  0.721175  1
  Fe  Fe400  1  0.258370  0.386008  0.661070  1
  Fe  Fe401  1  0.288023  0.051351  0.690977  1
  Fe  Fe402  1  0.319226  0.718817  0.721175  1
  Fe  Fe403  1  0.591704  0.052675  0.661070  1
  Fe  Fe404  1  0.621357  0.718017  0.690977  1
  Fe  Fe405  1  0.925037  0.719342  0.661070  1
  Fe  Fe406  1  0.698359  0.592733  0.715501  1
  Fe  Fe407  1  0.001759  0.592011  0.684811  1
  Fe  Fe408  1  0.031692  0.259400  0.715501  1
  Fe  Fe409  1  0.303568  0.591892  0.654236  1
  Fe  Fe410  1  0.335092  0.258677  0.684811  1
  Fe  Fe411  1  0.365026  0.926067  0.715501  1
  Fe  Fe412  1  0.636901  0.258558  0.654236  1
  Fe  Fe413  1  0.668425  0.925344  0.684811  1
  Fe  Fe414  1  0.970235  0.925225  0.654236  1
  Fe  Fe415  1  0.486768  0.528907  0.675007  1
  Fe  Fe416  1  0.790220  0.528223  0.645045  1
  Fe  Fe417  1  0.820102  0.195574  0.675007  1
  Fe  Fe418  1  0.184699  0.528836  0.705307  1
  Fe  Fe419  1  0.123554  0.194890  0.645045  1
  Fe  Fe420  1  0.153435  0.862241  0.675007  1
  Fe  Fe421  1  0.518033  0.195503  0.705307  1
  Fe  Fe422  1  0.456887  0.861557  0.645045  1
  Fe  Fe423  1  0.851366  0.862169  0.705307  1
  Fe  Fe424  1  0.341550  0.466951  0.678789  1
  Fe  Fe425  1  0.644373  0.465142  0.648534  1
  Fe  Fe426  1  0.674883  0.133618  0.678789  1
  Fe  Fe427  1  0.041238  0.465239  0.710154  1
  Fe  Fe428  1  0.977706  0.131809  0.648534  1
  Fe  Fe429  1  0.008216  0.800284  0.678789  1
  Fe  Fe430  1  0.374571  0.131905  0.710154  1
  Fe  Fe431  1  0.311040  0.798475  0.648534  1
  Fe  Fe432  1  0.707904  0.798572  0.710154  1
  Fe  Fe433  1  0.540321  0.385812  0.682368  1
  Fe  Fe434  1  0.844109  0.385688  0.652461  1
  Fe  Fe435  1  0.873655  0.052479  0.682368  1
  Fe  Fe436  1  0.239611  0.385839  0.712697  1
  Fe  Fe437  1  0.177442  0.052355  0.652461  1
  Fe  Fe438  1  0.206988  0.719146  0.682368  1
  Fe  Fe439  1  0.572945  0.052506  0.712697  1
  Fe  Fe440  1  0.510775  0.719021  0.652461  1
  Fe  Fe441  1  0.906278  0.719173  0.712697  1
  Fe  Fe442  1  0.551070  0.529769  0.718202  1
  Fe  Fe443  1  0.855314  0.528896  0.688891  1
  Fe  Fe444  1  0.884404  0.196435  0.718202  1
  Fe  Fe445  1  0.157745  0.528455  0.658190  1
  Fe  Fe446  1  0.188647  0.195562  0.688891  1
  Fe  Fe447  1  0.217737  0.863102  0.718202  1
  Fe  Fe448  1  0.491078  0.195121  0.658190  1
  Fe  Fe449  1  0.521980  0.862229  0.688891  1
  Fe  Fe450  1  0.824411  0.861788  0.658190  1
  C  C451  1  0.139240  0.597646  0.285543  1
  C  C452  1  0.534008  0.596653  0.346354  1
  C  C453  1  0.472573  0.264312  0.285543  1
  C  C454  1  0.836569  0.597017  0.315710  1
  C  C455  1  0.867341  0.263320  0.346354  1
  C  C456  1  0.805907  0.930979  0.285543  1
  C  C457  1  0.169903  0.263684  0.315710  1
  C  C458  1  0.200675  0.929986  0.346354  1
  C  C459  1  0.503236  0.930351  0.315710  1
  C  C460  1  0.257310  0.438596  0.322974  1
  C  C461  1  0.561764  0.437695  0.293440  1
  C  C462  1  0.590644  0.105263  0.322974  1
  C  C463  1  0.954472  0.437809  0.353564  1
  C  C464  1  0.895097  0.104362  0.293440  1
  C  C465  1  0.923977  0.771930  0.322974  1
  C  C466  1  0.287806  0.104476  0.353564  1
  C  C467  1  0.228430  0.771029  0.293440  1
  C  C468  1  0.621139  0.771143  0.353564  1
  C  C469  1  0.061356  0.596515  0.343248  1
  C  C470  1  0.365180  0.596470  0.313202  1
  C  C471  1  0.394690  0.263182  0.343248  1
  C  C472  1  0.666846  0.595468  0.282926  1
  C  C473  1  0.698514  0.263137  0.313202  1
  C  C474  1  0.728023  0.929849  0.343248  1
  C  C475  1  0.000179  0.262135  0.282926  1
  C  C476  1  0.031847  0.929803  0.313202  1
  C  C477  1  0.333512  0.928802  0.282926  1
  C  C478  1  0.087654  0.436506  0.290395  1
  C  C479  1  0.482393  0.437575  0.350993  1
  C  C480  1  0.420988  0.103173  0.290395  1
  C  C481  1  0.784584  0.437258  0.320539  1
  C  C482  1  0.815726  0.104242  0.350993  1
  C  C483  1  0.754321  0.769840  0.290395  1
  C  C484  1  0.117918  0.103924  0.320539  1
  C  C485  1  0.149059  0.770908  0.350993  1
  C  C486  1  0.451251  0.770591  0.320539  1
  C  C487  1  0.230647  0.597874  0.376339  1
  C  C488  1  0.624048  0.600119  0.437061  1
  C  C489  1  0.563981  0.264541  0.376339  1
  C  C490  1  0.927365  0.599014  0.406602  1
  C  C491  1  0.957381  0.266786  0.437061  1
  C  C492  1  0.897314  0.931207  0.376339  1
  C  C493  1  0.260698  0.265680  0.406602  1
  C  C494  1  0.290715  0.933452  0.437061  1
  C  C495  1  0.594031  0.932347  0.406602  1
  C  C496  1  0.348042  0.439517  0.414104  1
  C  C497  1  0.651295  0.438725  0.384077  1
  C  C498  1  0.681375  0.106184  0.414104  1
  C  C499  1  0.044714  0.440835  0.444411  1
  C  C500  1  0.984628  0.105392  0.384077  1
  C  C501  1  0.014709  0.772850  0.414104  1
  C  C502  1  0.378047  0.107502  0.444411  1
  C  C503  1  0.317962  0.772059  0.384077  1
  C  C504  1  0.711381  0.774169  0.444411  1
  C  C505  1  0.151189  0.600026  0.434271  1
  C  C506  1  0.454576  0.598815  0.404099  1
  C  C507  1  0.484523  0.266692  0.434271  1
  C  C508  1  0.758020  0.597872  0.373682  1
  C  C509  1  0.787909  0.265482  0.404099  1
  C  C510  1  0.817856  0.933359  0.434271  1
  C  C511  1  0.091353  0.264539  0.373682  1
  C  C512  1  0.121242  0.932148  0.404099  1
  C  C513  1  0.424687  0.931205  0.373682  1
  C  C514  1  0.178803  0.438530  0.381041  1
  C  C515  1  0.572010  0.440774  0.441800  1
  C  C516  1  0.512136  0.105197  0.381041  1
  C  C517  1  0.875439  0.439667  0.411450  1
  C  C518  1  0.905344  0.107441  0.441800  1
  C  C519  1  0.845469  0.771863  0.381041  1
  C  C520  1  0.208772  0.106334  0.411450  1
  C  C521  1  0.238677  0.774107  0.441800  1
  C  C522  1  0.542105  0.773000  0.411450  1
  C  C523  1  0.320399  0.601276  0.467349  1
  C  C524  1  0.713621  0.603890  0.527968  1
  C  C525  1  0.653732  0.267943  0.467349  1
  C  C526  1  0.017014  0.602543  0.497617  1
  C  C527  1  0.046955  0.270557  0.527968  1
  C  C528  1  0.987065  0.934609  0.467349  1
  C  C529  1  0.350347  0.269210  0.497617  1
  C  C530  1  0.380288  0.937224  0.527968  1
  C  C531  1  0.683681  0.935877  0.497617  1
  C  C532  1  0.437686  0.443387  0.505050  1
  C  C533  1  0.741232  0.442135  0.474806  1
  C  C534  1  0.771019  0.110054  0.505050  1
  C  C535  1  0.134238  0.444594  0.535381  1
  C  C536  1  0.074565  0.108802  0.474806  1
  C  C537  1  0.104352  0.776720  0.505050  1
  C  C538  1  0.467571  0.111260  0.535381  1
  C  C539  1  0.407898  0.775468  0.474806  1
  C  C540  1  0.800905  0.777927  0.535381  1
  C  C541  1  0.240859  0.603777  0.525193  1
  C  C542  1  0.544405  0.602525  0.494948  1
  C  C543  1  0.574193  0.270444  0.525193  1
  C  C544  1  0.847853  0.601319  0.464618  1
  C  C545  1  0.877739  0.269192  0.494948  1
  C  C546  1  0.907526  0.937111  0.525193  1
  C  C547  1  0.181186  0.267985  0.464618  1
  C  C548  1  0.211072  0.935859  0.494948  1
  C  C549  1  0.514519  0.934652  0.464618  1
  C  C550  1  0.268470  0.442022  0.472031  1
  C  C551  1  0.661692  0.444636  0.532650  1
  C  C552  1  0.601803  0.108689  0.472031  1
  C  C553  1  0.965077  0.443369  0.502382  1
  C  C554  1  0.995026  0.111303  0.532650  1
  C  C555  1  0.935136  0.775355  0.472031  1
  C  C556  1  0.298410  0.110036  0.502382  1
  C  C557  1  0.328359  0.777970  0.532650  1
  C  C558  1  0.631743  0.776702  0.502382  1
  C  C559  1  0.410081  0.605138  0.558199  1
  C  C560  1  0.803288  0.607382  0.618958  1
  C  C561  1  0.743414  0.271805  0.558199  1
  C  C562  1  0.106652  0.606245  0.588549  1
  C  C563  1  0.136621  0.274049  0.618958  1
  C  C564  1  0.076747  0.938472  0.558199  1
  C  C565  1  0.439985  0.272912  0.588549  1
  C  C566  1  0.469955  0.940716  0.618958  1
  C  C567  1  0.773319  0.939579  0.588549  1
  C  C568  1  0.527515  0.447097  0.595900  1
  C  C569  1  0.830901  0.445887  0.565728  1
  C  C570  1  0.860848  0.113764  0.595900  1
  C  C571  1  0.224071  0.448040  0.626317  1
  C  C572  1  0.164235  0.112553  0.565728  1
  C  C573  1  0.194182  0.780431  0.595900  1
  C  C574  1  0.557404  0.114707  0.626317  1
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  C  C629  1  0.509517  0.781600  0.714456  1
  C  C630  1  0.812188  0.782228  0.684288  1
