# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.50383663
_cell_length_b   15.83992700
_cell_length_c   49.49428048
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.12616613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe450 C180'
_cell_volume   11202.3745548
_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  0.955762  0.677284  0.306745  1
  Fe  Fe2  1  0.622429  0.343951  0.306745  1
  Fe  Fe3  1  0.658616  0.677656  0.274944  1
  Fe  Fe4  1  0.289096  0.010617  0.306745  1
  Fe  Fe5  1  0.325283  0.344322  0.274944  1
  Fe  Fe6  1  0.252393  0.666564  0.336307  1
  Fe  Fe7  1  0.991950  0.010989  0.274944  1
  Fe  Fe8  1  0.919060  0.333231  0.336307  1
  Fe  Fe9  1  0.585726  -0.000103  0.336307  1
  Fe  Fe10  1  0.679542  0.804961  0.299776  1
  Fe  Fe11  1  0.346209  0.471627  0.299776  1
  Fe  Fe12  1  0.278791  0.786022  0.360584  1
  Fe  Fe13  1  0.012876  0.138294  0.299776  1
  Fe  Fe14  1  0.945457  0.452689  0.360584  1
  Fe  Fe15  1  0.978901  0.795898  0.330422  1
  Fe  Fe16  1  0.612124  0.119356  0.360584  1
  Fe  Fe17  1  0.645567  0.462564  0.330422  1
  Fe  Fe18  1  0.312234  0.129231  0.330422  1
  Fe  Fe19  1  0.692212  0.585096  0.344522  1
  Fe  Fe20  1  0.358879  0.251763  0.344522  1
  Fe  Fe21  1  0.390658  0.594209  0.315188  1
  Fe  Fe22  1  0.025545  0.918430  0.344522  1
  Fe  Fe23  1  0.057325  0.260875  0.315188  1
  Fe  Fe24  1  0.095850  0.596223  0.284843  1
  Fe  Fe25  1  0.723991  0.927542  0.315188  1
  Fe  Fe26  1  0.762517  0.262889  0.284843  1
  Fe  Fe27  1  0.429184  0.929556  0.284843  1
  Fe  Fe28  1  0.863594  0.586163  0.339949  1
  Fe  Fe29  1  0.530261  0.252829  0.339949  1
  Fe  Fe30  1  0.564554  0.596631  0.309507  1
  Fe  Fe31  1  0.196928  0.919496  0.339949  1
  Fe  Fe32  1  0.231220  0.263298  0.309507  1
  Fe  Fe33  1  0.263596  0.603511  0.279409  1
  Fe  Fe34  1  0.897887  0.929964  0.309507  1
  Fe  Fe35  1  0.930262  0.270177  0.279409  1
  Fe  Fe36  1  0.596929  0.936844  0.279409  1
  Fe  Fe37  1  0.670206  0.865726  0.356693  1
  Fe  Fe38  1  0.336872  0.532393  0.356693  1
  Fe  Fe39  1  0.371206  0.874901  0.327557  1
  Fe  Fe40  1  0.003539  0.199059  0.356693  1
  Fe  Fe41  1  0.037873  0.541567  0.327557  1
  Fe  Fe42  1  0.073008  0.884334  0.296124  1
  Fe  Fe43  1  0.704539  0.208234  0.327557  1
  Fe  Fe44  1  0.739675  0.551000  0.296124  1
  Fe  Fe45  1  0.406341  0.217667  0.296124  1
  Fe  Fe46  1  0.791694  0.677399  0.304863  1
  Fe  Fe47  1  0.458361  0.344066  0.304863  1
  Fe  Fe48  1  0.488246  0.688476  0.274596  1
  Fe  Fe49  1  0.125027  0.010732  0.304863  1
  Fe  Fe50  1  0.154912  0.355143  0.274596  1
  Fe  Fe51  1  0.089514  0.666607  0.335304  1
  Fe  Fe52  1  0.821579  0.021809  0.274596  1
  Fe  Fe53  1  0.756181  0.333274  0.335304  1
  Fe  Fe54  1  0.422847  -0.000060  0.335304  1
  Fe  Fe55  1  0.844856  0.725268  0.353007  1
  Fe  Fe56  1  0.511523  0.391935  0.353007  1
  Fe  Fe57  1  0.547246  0.733479  0.322913  1
  Fe  Fe58  1  0.178190  0.058601  0.353007  1
  Fe  Fe59  1  0.213913  0.400146  0.322913  1
  Fe  Fe60  1  0.245604  0.743276  0.292837  1
  Fe  Fe61  1  0.880580  0.066813  0.322913  1
  Fe  Fe62  1  0.912271  0.409943  0.292837  1
  Fe  Fe63  1  0.578938  0.076610  0.292837  1
  Fe  Fe64  1  0.843270  0.807909  0.300365  1
  Fe  Fe65  1  0.509937  0.474575  0.300365  1
  Fe  Fe66  1  0.444286  0.784445  0.362351  1
  Fe  Fe67  1  0.176603  0.141242  0.300365  1
  Fe  Fe68  1  0.110953  0.451112  0.362351  1
  Fe  Fe69  1  0.144274  0.795308  0.331347  1
  Fe  Fe70  1  0.777619  0.117778  0.362351  1
  Fe  Fe71  1  0.810941  0.461974  0.331347  1
  Fe  Fe72  1  0.477607  0.128641  0.331347  1
  Fe  Fe73  1  0.841186  0.867274  0.352105  1
  Fe  Fe74  1  0.507853  0.533940  0.352105  1
  Fe  Fe75  1  0.543239  0.877264  0.322197  1
  Fe  Fe76  1  0.174520  0.200607  0.352105  1
  Fe  Fe77  1  0.209905  0.543931  0.322197  1
  Fe  Fe78  1  0.248007  0.886850  0.291522  1
  Fe  Fe79  1  0.876572  0.210597  0.322197  1
  Fe  Fe80  1  0.914673  0.553516  0.291522  1
  Fe  Fe81  1  0.581340  0.220183  0.291522  1
  Fe  Fe82  1  0.688953  0.727338  0.343580  1
  Fe  Fe83  1  0.355620  0.394005  0.343580  1
  Fe  Fe84  1  0.387685  0.735570  0.313665  1
  Fe  Fe85  1  0.022287  0.060671  0.343580  1
  Fe  Fe86  1  0.054352  0.402237  0.313665  1
  Fe  Fe87  1  0.076144  0.738926  0.284885  1
  Fe  Fe88  1  0.721018  0.068904  0.313665  1
  Fe  Fe89  1  0.742810  0.405593  0.284885  1
  Fe  Fe90  1  0.409477  0.072260  0.284885  1
  Fe  Fe91  1  0.852336  0.647428  0.397055  1
  Fe  Fe92  1  0.519003  0.314094  0.397055  1
  Fe  Fe93  1  0.554352  0.655910  0.366546  1
  Fe  Fe94  1  0.185669  0.980761  0.397055  1
  Fe  Fe95  1  0.221018  0.322577  0.366546  1
  Fe  Fe96  1  0.151919  0.637528  0.427302  1
  Fe  Fe97  1  0.887685  0.989243  0.366546  1
  Fe  Fe98  1  0.818586  0.304195  0.427302  1
  Fe  Fe99  1  0.485252  0.970862  0.427302  1
  Fe  Fe100  1  0.577197  0.776380  0.391045  1
  Fe  Fe101  1  0.243864  0.443047  0.391045  1
  Fe  Fe102  1  0.175080  0.757618  0.451526  1
  Fe  Fe103  1  0.910531  0.109713  0.391045  1
  Fe  Fe104  1  0.841747  0.424285  0.451526  1
  Fe  Fe105  1  0.876322  0.767189  0.421193  1
  Fe  Fe106  1  0.508413  0.090951  0.451526  1
  Fe  Fe107  1  0.542989  0.433855  0.421193  1
  Fe  Fe108  1  0.209655  0.100522  0.421193  1
  Fe  Fe109  1  0.588637  0.556045  0.435596  1
  Fe  Fe110  1  0.255304  0.222712  0.435596  1
  Fe  Fe111  1  0.289911  0.565517  0.405233  1
  Fe  Fe112  1  0.921971  0.889378  0.435596  1
  Fe  Fe113  1  0.956578  0.232183  0.405233  1
  Fe  Fe114  1  0.990382  0.574541  0.375460  1
  Fe  Fe115  1  0.623244  0.898850  0.405233  1
  Fe  Fe116  1  0.657049  0.241208  0.375460  1
  Fe  Fe117  1  0.323715  0.907875  0.375460  1
  Fe  Fe118  1  0.760371  0.557563  0.430948  1
  Fe  Fe119  1  0.427038  0.224230  0.430948  1
  Fe  Fe120  1  0.461429  0.567089  0.400604  1
  Fe  Fe121  1  0.093705  0.890897  0.430948  1
  Fe  Fe122  1  0.128096  0.233756  0.400604  1
  Fe  Fe123  1  0.162777  0.576083  0.370518  1
  Fe  Fe124  1  0.794763  0.900422  0.400604  1
  Fe  Fe125  1  0.829443  0.242749  0.370518  1
  Fe  Fe126  1  0.496110  0.909416  0.370518  1
  Fe  Fe127  1  0.566391  0.837540  0.447831  1
  Fe  Fe128  1  0.233057  0.504207  0.447831  1
  Fe  Fe129  1  0.267390  0.847055  0.417668  1
  Fe  Fe130  1  0.899724  0.170874  0.447831  1
  Fe  Fe131  1  0.934056  0.513722  0.417668  1
  Fe  Fe132  1  0.968758  0.856703  0.387056  1
  Fe  Fe133  1  0.600723  0.180389  0.417668  1
  Fe  Fe134  1  0.635425  0.523369  0.387056  1
  Fe  Fe135  1  0.302092  0.190036  0.387056  1
  Fe  Fe136  1  0.687731  0.647935  0.395534  1
  Fe  Fe137  1  0.354398  0.314602  0.395534  1
  Fe  Fe138  1  0.388875  0.657336  0.365328  1
  Fe  Fe139  1  0.021065  0.981268  0.395534  1
  Fe  Fe140  1  0.055542  0.324002  0.365328  1
  Fe  Fe141  1  0.986559  0.638317  0.425952  1
  Fe  Fe142  1  0.722208  0.990669  0.365328  1
  Fe  Fe143  1  0.653226  0.304984  0.425952  1
  Fe  Fe144  1  0.319893  0.971650  0.425952  1
  Fe  Fe145  1  0.741763  0.696394  0.444006  1
  Fe  Fe146  1  0.408430  0.363061  0.444006  1
  Fe  Fe147  1  0.442948  0.705722  0.413715  1
  Fe  Fe148  1  0.075096  0.029727  0.444006  1
  Fe  Fe149  1  0.109615  0.372388  0.413715  1
  Fe  Fe150  1  0.143951  0.715266  0.383367  1
  Fe  Fe151  1  0.776282  0.039055  0.413715  1
  Fe  Fe152  1  0.810617  0.381933  0.383367  1
  Fe  Fe153  1  0.477284  0.048600  0.383367  1
  Fe  Fe154  1  0.742308  0.776142  0.392238  1
  Fe  Fe155  1  0.408974  0.442809  0.392238  1
  Fe  Fe156  1  0.340169  0.756713  0.452951  1
  Fe  Fe157  1  0.075641  0.109476  0.392238  1
  Fe  Fe158  1  0.006835  0.423380  0.452951  1
  Fe  Fe159  1  0.041126  0.766489  0.422578  1
  Fe  Fe160  1  0.673502  0.090046  0.452951  1
  Fe  Fe161  1  0.707793  0.433156  0.422578  1
  Fe  Fe162  1  0.374459  0.099823  0.422578  1
  Fe  Fe163  1  0.738250  0.839245  0.443204  1
  Fe  Fe164  1  0.404917  0.505912  0.443204  1
  Fe  Fe165  1  0.439111  0.848539  0.412902  1
  Fe  Fe166  1  0.071584  0.172579  0.443204  1
  Fe  Fe167  1  0.105777  0.515206  0.412902  1
  Fe  Fe168  1  0.140424  0.858290  0.382588  1
  Fe  Fe169  1  0.772444  0.181873  0.412902  1
  Fe  Fe170  1  0.807091  0.524957  0.382588  1
  Fe  Fe171  1  0.473757  0.191624  0.382588  1
  Fe  Fe172  1  0.585078  0.698806  0.434720  1
  Fe  Fe173  1  0.251744  0.365472  0.434720  1
  Fe  Fe174  1  0.285792  0.707990  0.404485  1
  Fe  Fe175  1  0.918411  0.032139  0.434720  1
  Fe  Fe176  1  0.952459  0.374656  0.404485  1
  Fe  Fe177  1  0.987815  0.718467  0.374485  1
  Fe  Fe178  1  0.619126  0.041323  0.404485  1
  Fe  Fe179  1  0.654482  0.385134  0.374485  1
  Fe  Fe180  1  0.321149  0.051800  0.374485  1
  Fe  Fe181  1  0.749279  0.618626  0.487883  1
  Fe  Fe182  1  0.415946  0.285292  0.487883  1
  Fe  Fe183  1  0.450542  0.628000  0.457579  1
  Fe  Fe184  1  0.082613  0.951959  0.487883  1
  Fe  Fe185  1  0.117209  0.294666  0.457579  1
  Fe  Fe186  1  0.048278  0.609180  0.518171  1
  Fe  Fe187  1  0.783875  0.961333  0.457579  1
  Fe  Fe188  1  0.714945  0.275847  0.518171  1
  Fe  Fe189  1  0.381611  0.942513  0.518171  1
  Fe  Fe190  1  0.473916  0.748190  0.481883  1
  Fe  Fe191  1  0.140582  0.414856  0.481883  1
  Fe  Fe192  1  0.071652  0.729370  0.542475  1
  Fe  Fe193  1  0.807249  0.081523  0.481883  1
  Fe  Fe194  1  0.738318  0.396037  0.542475  1
  Fe  Fe195  1  0.772914  0.738744  0.512171  1
  Fe  Fe196  1  0.404985  0.062703  0.542475  1
  Fe  Fe197  1  0.439581  0.405411  0.512171  1
  Fe  Fe198  1  0.106248  0.072077  0.512171  1
  Fe  Fe199  1  0.485282  0.527632  0.526559  1
  Fe  Fe200  1  0.151948  0.194299  0.526559  1
  Fe  Fe201  1  0.186428  0.537060  0.496287  1
  Fe  Fe202  1  0.818615  0.860965  0.526559  1
  Fe  Fe203  1  0.853094  0.203727  0.496287  1
  Fe  Fe204  1  0.887421  0.546482  0.465974  1
  Fe  Fe205  1  0.519761  0.870393  0.496287  1
  Fe  Fe206  1  0.554087  0.213148  0.465974  1
  Fe  Fe207  1  0.220754  0.879815  0.465974  1
  Fe  Fe208  1  0.656966  0.529164  0.521894  1
  Fe  Fe209  1  0.323633  0.195830  0.521894  1
  Fe  Fe210  1  0.358171  0.538624  0.491589  1
  Fe  Fe211  1  0.990299  0.862497  0.521894  1
  Fe  Fe212  1  0.024838  0.205290  0.491589  1
  Fe  Fe213  1  0.059263  0.548037  0.461288  1
  Fe  Fe214  1  0.691504  0.871957  0.491589  1
  Fe  Fe215  1  0.725930  0.214703  0.461288  1
  Fe  Fe216  1  0.392596  0.881370  0.461288  1
  Fe  Fe217  1  0.462931  0.809333  0.538766  1
  Fe  Fe218  1  0.129597  0.476000  0.538766  1
  Fe  Fe219  1  0.164023  0.818746  0.508465  1
  Fe  Fe220  1  0.796264  0.142666  0.538766  1
  Fe  Fe221  1  0.830689  0.485413  0.508465  1
  Fe  Fe222  1  0.865228  0.828206  0.478160  1
  Fe  Fe223  1  0.497356  0.152079  0.508465  1
  Fe  Fe224  1  0.531895  0.494873  0.478160  1
  Fe  Fe225  1  0.198561  0.161539  0.478160  1
  Fe  Fe226  1  0.584329  0.619463  0.486493  1
  Fe  Fe227  1  0.250996  0.286130  0.486493  1
  Fe  Fe228  1  0.285497  0.628771  0.456206  1
  Fe  Fe229  1  0.917662  0.952796  0.486493  1
  Fe  Fe230  1  0.952164  0.295438  0.456206  1
  Fe  Fe231  1  0.883167  0.609978  0.516813  1
  Fe  Fe232  1  0.618830  0.962105  0.456206  1
  Fe  Fe233  1  0.549833  0.276644  0.516813  1
  Fe  Fe234  1  0.216500  0.943311  0.516813  1
  Fe  Fe235  1  0.638329  0.667935  0.534891  1
  Fe  Fe236  1  0.304996  0.334602  0.534891  1
  Fe  Fe237  1  0.339524  0.677495  0.504604  1
  Fe  Fe238  1  0.971663  0.001269  0.534891  1
  Fe  Fe239  1  0.006191  0.344162  0.504604  1
  Fe  Fe240  1  0.040607  0.686890  0.474304  1
  Fe  Fe241  1  0.672858  0.010828  0.504604  1
  Fe  Fe242  1  0.707273  0.353556  0.474304  1
  Fe  Fe243  1  0.373940  0.020223  0.474304  1
  Fe  Fe244  1  0.639027  0.747392  0.483241  1
  Fe  Fe245  1  0.305694  0.414059  0.483241  1
  Fe  Fe246  1  0.236697  0.728598  0.543848  1
  Fe  Fe247  1  0.972361  0.080725  0.483241  1
  Fe  Fe248  1  0.903364  0.395265  0.543848  1
  Fe  Fe249  1  0.937865  0.737907  0.513561  1
  Fe  Fe250  1  0.570030  0.061932  0.543848  1
  Fe  Fe251  1  0.604532  0.404573  0.513561  1
  Fe  Fe252  1  0.271198  0.071240  0.513561  1
  Fe  Fe253  1  0.634773  0.810888  0.534080  1
  Fe  Fe254  1  0.301440  0.477555  0.534080  1
  Fe  Fe255  1  0.335766  0.820310  0.503767  1
  Fe  Fe256  1  0.968106  0.144221  0.534080  1
  Fe  Fe257  1  0.002433  0.486976  0.503767  1
  Fe  Fe258  1  0.036912  0.829738  0.473495  1
  Fe  Fe259  1  0.669099  0.153643  0.503767  1
  Fe  Fe260  1  0.703579  0.496405  0.473495  1
  Fe  Fe261  1  0.370245  0.163071  0.473495  1
  Fe  Fe262  1  0.481587  0.670480  0.525750  1
  Fe  Fe263  1  0.148254  0.337147  0.525750  1
  Fe  Fe264  1  0.182670  0.679875  0.495450  1
  Fe  Fe265  1  0.814920  0.003813  0.525750  1
  Fe  Fe266  1  0.849336  0.346541  0.495450  1
  Fe  Fe267  1  0.883864  0.689434  0.465163  1
  Fe  Fe268  1  0.516003  0.013208  0.495450  1
  Fe  Fe269  1  0.550531  0.356101  0.465163  1
  Fe  Fe270  1  0.217198  0.022768  0.465163  1
  Fe  Fe271  1  0.645872  0.590181  0.578861  1
  Fe  Fe272  1  0.312539  0.256848  0.578861  1
  Fe  Fe273  1  0.347114  0.599752  0.548528  1
  Fe  Fe274  1  0.979205  0.923515  0.578861  1
  Fe  Fe275  1  0.013780  0.266418  0.548528  1
  Fe  Fe276  1  0.944996  0.580990  0.609009  1
  Fe  Fe277  1  0.680447  0.933085  0.548528  1
  Fe  Fe278  1  0.611663  0.247656  0.609009  1
  Fe  Fe279  1  0.278330  0.914323  0.609009  1
  Fe  Fe280  1  0.370275  0.719841  0.572752  1
  Fe  Fe281  1  0.036941  0.386508  0.572752  1
  Fe  Fe282  1  0.967842  0.701460  0.633508  1
  Fe  Fe283  1  0.703608  0.053175  0.572752  1
  Fe  Fe284  1  0.634509  0.368126  0.633508  1
  Fe  Fe285  1  0.669858  0.709942  0.602999  1
  Fe  Fe286  1  0.301176  0.034793  0.633508  1
  Fe  Fe287  1  0.336525  0.376609  0.602999  1
  Fe  Fe288  1  0.003191  0.043275  0.602999  1
  Fe  Fe289  1  0.381770  0.499079  0.617466  1
  Fe  Fe290  1  0.048436  0.165746  0.617466  1
  Fe  Fe291  1  0.083083  0.508830  0.587152  1
  Fe  Fe292  1  0.715103  0.832413  0.617466  1
  Fe  Fe293  1  0.749750  0.175497  0.587152  1
  Fe  Fe294  1  0.783943  0.518125  0.556850  1
  Fe  Fe295  1  0.416417  0.842164  0.587152  1
  Fe  Fe296  1  0.450610  0.184791  0.556850  1
  Fe  Fe297  1  0.117277  0.851458  0.556850  1
  Fe  Fe298  1  0.553435  0.500667  0.612998  1
  Fe  Fe299  1  0.220102  0.167334  0.612998  1
  Fe  Fe300  1  0.254804  0.510314  0.582386  1
  Fe  Fe301  1  0.886769  0.834000  0.612998  1
  Fe  Fe302  1  0.921471  0.176981  0.582386  1
  Fe  Fe303  1  0.955803  0.519829  0.552223  1
  Fe  Fe304  1  0.588137  0.843648  0.582386  1
  Fe  Fe305  1  0.622470  0.186496  0.552223  1
  Fe  Fe306  1  0.289136  0.853163  0.552223  1
  Fe  Fe307  1  0.359417  0.781287  0.629536  1
  Fe  Fe308  1  0.026084  0.447954  0.629536  1
  Fe  Fe309  1  0.060765  0.790281  0.599450  1
  Fe  Fe310  1  0.692750  0.114620  0.629536  1
  Fe  Fe311  1  0.727431  0.456947  0.599450  1
  Fe  Fe312  1  0.761822  0.799806  0.569106  1
  Fe  Fe313  1  0.394098  0.123614  0.599450  1
  Fe  Fe314  1  0.428489  0.466473  0.569106  1
  Fe  Fe315  1  0.095156  0.133140  0.569106  1
  Fe  Fe316  1  0.481068  0.590880  0.577476  1
  Fe  Fe317  1  0.147735  0.257547  0.577476  1
  Fe  Fe318  1  0.182025  0.600657  0.547103  1
  Fe  Fe319  1  0.814401  0.924214  0.577476  1
  Fe  Fe320  1  0.848692  0.267323  0.547103  1
  Fe  Fe321  1  0.779886  0.581227  0.607815  1
  Fe  Fe322  1  0.515358  0.933990  0.547103  1
  Fe  Fe323  1  0.446553  0.247894  0.607815  1
  Fe  Fe324  1  0.113220  0.914561  0.607815  1
  Fe  Fe325  1  0.534379  0.638903  0.625568  1
  Fe  Fe326  1  0.201045  0.305569  0.625568  1
  Fe  Fe327  1  0.236401  0.649380  0.595569  1
  Fe  Fe328  1  0.867712  0.972236  0.625568  1
  Fe  Fe329  1  0.903068  0.316047  0.595569  1
  Fe  Fe330  1  0.937116  0.658564  0.565334  1
  Fe  Fe331  1  0.569735  0.982713  0.595569  1
  Fe  Fe332  1  0.603783  0.325231  0.565334  1
  Fe  Fe333  1  0.270449  0.991898  0.565334  1
  Fe  Fe334  1  0.535634  0.719053  0.574102  1
  Fe  Fe335  1  0.202301  0.385719  0.574102  1
  Fe  Fe336  1  0.133319  0.700034  0.634726  1
  Fe  Fe337  1  0.868968  0.052386  0.574102  1
  Fe  Fe338  1  0.799986  0.366701  0.634726  1
  Fe  Fe339  1  0.834463  0.709435  0.604520  1
  Fe  Fe340  1  0.466652  0.033367  0.634726  1
  Fe  Fe341  1  0.501129  0.376101  0.604520  1
  Fe  Fe342  1  0.167796  0.042768  0.604520  1
  Fe  Fe343  1  0.531812  0.782828  0.624594  1
  Fe  Fe344  1  0.198478  0.449495  0.624594  1
  Fe  Fe345  1  0.232283  0.791853  0.594821  1
  Fe  Fe346  1  0.865145  0.116162  0.624594  1
  Fe  Fe347  1  0.898949  0.458520  0.594821  1
  Fe  Fe348  1  0.933557  0.801325  0.564457  1
  Fe  Fe349  1  0.565616  0.125186  0.594821  1
  Fe  Fe350  1  0.600223  0.467991  0.564457  1
  Fe  Fe351  1  0.266890  0.134658  0.564457  1
  Fe  Fe352  1  0.378243  0.642103  0.616686  1
  Fe  Fe353  1  0.044910  0.308770  0.616686  1
  Fe  Fe354  1  0.079245  0.651648  0.586338  1
  Fe  Fe355  1  0.711576  0.975437  0.616686  1
  Fe  Fe356  1  0.745912  0.318315  0.586338  1
  Fe  Fe357  1  0.780431  0.660976  0.556048  1
  Fe  Fe358  1  0.412579  0.984981  0.586338  1
  Fe  Fe359  1  0.447098  0.327642  0.556048  1
  Fe  Fe360  1  0.113764  0.994309  0.556048  1
  Fe  Fe361  1  0.543293  0.561472  0.669632  1
  Fe  Fe362  1  0.209960  0.228139  0.669632  1
  Fe  Fe363  1  0.243403  0.571347  0.639470  1
  Fe  Fe364  1  0.876627  0.894805  0.669632  1
  Fe  Fe365  1  0.910070  0.238014  0.639470  1
  Fe  Fe366  1  0.842651  0.552409  0.700278  1
  Fe  Fe367  1  0.576736  0.904681  0.639470  1
  Fe  Fe368  1  0.509318  0.219076  0.700278  1
  Fe  Fe369  1  0.175985  0.885742  0.700278  1
  Fe  Fe370  1  0.269801  0.690806  0.663747  1
  Fe  Fe371  1  0.936468  0.357472  0.663747  1
  Fe  Fe372  1  0.863577  0.679714  0.725110  1
  Fe  Fe373  1  0.603134  0.024139  0.663747  1
  Fe  Fe374  1  0.530244  0.346381  0.725110  1
  Fe  Fe375  1  0.566432  0.680086  0.693309  1
  Fe  Fe376  1  0.196911  0.013048  0.725110  1
  Fe  Fe377  1  0.233098  0.346753  0.693309  1
  Fe  Fe378  1  0.899765  0.013419  0.693309  1
  Fe  Fe379  1  0.274187  0.470520  0.708532  1
  Fe  Fe380  1  0.940854  0.137187  0.708532  1
  Fe  Fe381  1  0.978955  0.480106  0.677857  1
  Fe  Fe382  1  0.607520  0.803853  0.708532  1
  Fe  Fe383  1  0.645622  0.146772  0.677857  1
  Fe  Fe384  1  0.681008  0.490096  0.647949  1
  Fe  Fe385  1  0.312288  0.813439  0.677857  1
  Fe  Fe386  1  0.347674  0.156763  0.647949  1
  Fe  Fe387  1  0.014341  0.823429  0.647949  1
  Fe  Fe388  1  0.449186  0.473036  0.703930  1
  Fe  Fe389  1  0.115853  0.139703  0.703930  1
  Fe  Fe390  1  0.150988  0.482469  0.672497  1
  Fe  Fe391  1  0.782519  0.806369  0.703930  1
  Fe  Fe392  1  0.817654  0.149136  0.672497  1
  Fe  Fe393  1  0.851988  0.491644  0.643361  1
  Fe  Fe394  1  0.484321  0.815802  0.672497  1
  Fe  Fe395  1  0.518655  0.158310  0.643361  1
  Fe  Fe396  1  0.185322  0.824977  0.643361  1
  Fe  Fe397  1  0.258598  0.753859  0.720644  1
  Fe  Fe398  1  0.925265  0.420526  0.720644  1
  Fe  Fe399  1  0.957640  0.760739  0.690547  1
  Fe  Fe400  1  0.591932  0.087192  0.720644  1
  Fe  Fe401  1  0.624307  0.427405  0.690547  1
  Fe  Fe402  1  0.658599  0.771207  0.660105  1
  Fe  Fe403  1  0.290973  0.094072  0.690547  1
  Fe  Fe404  1  0.325266  0.437874  0.660105  1
  Fe  Fe405  1  0.991933  0.104540  0.660105  1
  Fe  Fe406  1  0.377920  0.562062  0.668707  1
  Fe  Fe407  1  0.044586  0.228729  0.668707  1
  Fe  Fe408  1  0.077908  0.572925  0.637703  1
  Fe  Fe409  1  0.711253  0.895395  0.668707  1
  Fe  Fe410  1  0.744574  0.239591  0.637703  1
  Fe  Fe411  1  0.678924  0.549461  0.699689  1
  Fe  Fe412  1  0.411241  0.906258  0.637703  1
  Fe  Fe413  1  0.345591  0.216128  0.699689  1
  Fe  Fe414  1  0.012257  0.882794  0.699689  1
  Fe  Fe415  1  0.446050  0.618443  0.715168  1
  Fe  Fe416  1  0.112717  0.285110  0.715168  1
  Fe  Fe417  1  0.134509  0.621799  0.686389  1
  Fe  Fe418  1  0.779383  0.951777  0.715168  1
  Fe  Fe419  1  0.801175  0.288466  0.686389  1
  Fe  Fe420  1  0.833240  0.630032  0.656474  1
  Fe  Fe421  1  0.467842  0.955133  0.686389  1
  Fe  Fe422  1  0.499907  0.296698  0.656474  1
  Fe  Fe423  1  0.166574  0.963365  0.656474  1
  Fe  Fe424  1  0.432680  0.690763  0.664750  1
  Fe  Fe425  1  0.099347  0.357429  0.664750  1
  Fe  Fe426  1  0.033948  0.668894  0.725458  1
  Fe  Fe427  1  0.766013  0.024096  0.664750  1
  Fe  Fe428  1  0.700615  0.335560  0.725458  1
  Fe  Fe429  1  0.730500  0.679971  0.695191  1
  Fe  Fe430  1  0.367282  0.002227  0.725458  1
  Fe  Fe431  1  0.397167  0.346637  0.695191  1
  Fe  Fe432  1  0.063833  0.013304  0.695191  1
  Fe  Fe433  1  0.426344  0.761147  0.715211  1
  Fe  Fe434  1  0.093010  0.427814  0.715211  1
  Fe  Fe435  1  0.131536  0.763161  0.684866  1
  Fe  Fe436  1  0.759677  0.094480  0.715211  1
  Fe  Fe437  1  0.798203  0.429828  0.684866  1
  Fe  Fe438  1  0.829982  0.772273  0.655532  1
  Fe  Fe439  1  0.464869  0.096495  0.684866  1
  Fe  Fe440  1  0.496649  0.438940  0.655532  1
  Fe  Fe441  1  0.163315  0.105607  0.655532  1
  Fe  Fe442  1  0.276589  0.614093  0.707217  1
  Fe  Fe443  1  0.943256  0.280760  0.707217  1
  Fe  Fe444  1  0.974947  0.623890  0.677141  1
  Fe  Fe445  1  0.609923  0.947427  0.707217  1
  Fe  Fe446  1  0.641614  0.290557  0.677141  1
  Fe  Fe447  1  0.677337  0.632102  0.647047  1
  Fe  Fe448  1  0.308281  0.957224  0.677141  1
  Fe  Fe449  1  0.344004  0.298769  0.647047  1
  Fe  Fe450  1  0.010671  0.965435  0.647047  1
  C  C451  1  0.879224  0.670015  0.275442  1
  C  C452  1  0.545891  0.336681  0.275442  1
  C  C453  1  0.475303  0.650221  0.335657  1
  C  C454  1  0.212558  0.003348  0.275442  1
  C  C455  1  0.141969  0.316888  0.335657  1
  C  C456  1  0.174418  0.659093  0.305258  1
  C  C457  1  0.808636  0.983555  0.335657  1
  C  C458  1  0.841085  0.325759  0.305258  1
  C  C459  1  0.507751  0.992426  0.305258  1
  C  C460  1  0.968795  0.824691  0.292697  1
  C  C461  1  0.635461  0.491357  0.292697  1
  C  C462  1  0.567768  0.803905  0.353226  1
  C  C463  1  0.302128  0.158024  0.292697  1
  C  C464  1  0.234435  0.470572  0.353226  1
  C  C465  1  0.268457  0.814147  0.322806  1
  C  C466  1  0.901101  0.137239  0.353226  1
  C  C467  1  0.935123  0.480814  0.322806  1
  C  C468  1  0.601790  0.147481  0.322806  1
  C  C469  1  0.667836  0.657292  0.313212  1
  C  C470  1  0.334503  0.323958  0.313212  1
  C  C471  1  0.366288  0.664728  0.283531  1
  C  C472  1  0.001170  0.990625  0.313212  1
  C  C473  1  0.032955  0.331394  0.283531  1
  C  C474  1  0.965845  0.647711  0.344395  1
  C  C475  1  0.699621  0.998061  0.283531  1
  C  C476  1  0.632511  0.314377  0.344395  1
  C  C477  1  0.299178  0.981044  0.344395  1
  C  C478  1  0.759102  0.811579  0.330520  1
  C  C479  1  0.425769  0.478245  0.330520  1
  C  C480  1  0.460468  0.819162  0.301736  1
  C  C481  1  0.092435  0.144912  0.330520  1
  C  C482  1  0.127135  0.485829  0.301736  1
  C  C483  1  0.058415  0.802038  0.361175  1
  C  C484  1  0.793802  0.152496  0.301736  1
  C  C485  1  0.725082  0.468705  0.361175  1
  C  C486  1  0.391748  0.135371  0.361175  1
  C  C487  1  0.774497  0.641028  0.365941  1
  C  C488  1  0.441164  0.307695  0.365941  1
  C  C489  1  0.372140  0.621734  0.426580  1
  C  C490  1  0.107831  0.974361  0.365941  1
  C  C491  1  0.038807  0.288401  0.426580  1
  C  C492  1  0.073304  0.631303  0.396354  1
  C  C493  1  0.705473  0.955068  0.426580  1
  C  C494  1  0.739971  0.297970  0.396354  1
  C  C495  1  0.406638  0.964636  0.396354  1
  C  C496  1  0.866191  0.795109  0.383399  1
  C  C497  1  0.532857  0.461775  0.383399  1
  C  C498  1  0.463968  0.775825  0.444072  1
  C  C499  1  0.199524  0.128442  0.383399  1
  C  C500  1  0.130635  0.442492  0.444072  1
  C  C501  1  0.165024  0.785367  0.413720  1
  C  C502  1  0.797301  0.109158  0.444072  1
  C  C503  1  0.831691  0.452034  0.413720  1
  C  C504  1  0.498357  0.118701  0.413720  1
  C  C505  1  0.563983  0.628622  0.404388  1
  C  C506  1  0.230650  0.295289  0.404388  1
  C  C507  1  0.265001  0.638146  0.374040  1
  C  C508  1  0.897317  0.961956  0.404388  1
  C  C509  1  0.931668  0.304813  0.374040  1
  C  C510  1  0.862721  0.619310  0.434825  1
  C  C511  1  0.598335  0.971479  0.374040  1
  C  C512  1  0.529388  0.285977  0.434825  1
  C  C513  1  0.196055  0.952643  0.434825  1
  C  C514  1  0.655977  0.782844  0.421940  1
  C  C515  1  0.322644  0.449511  0.421940  1
  C  C516  1  0.356613  0.792101  0.391726  1
  C  C517  1  0.989311  0.116178  0.421940  1
  C  C518  1  0.023279  0.458768  0.391726  1
  C  C519  1  0.954584  0.773399  0.452227  1
  C  C520  1  0.689946  0.125435  0.391726  1
  C  C521  1  0.621251  0.440065  0.452227  1
  C  C522  1  0.287917  0.106732  0.452227  1
  C  C523  1  0.670963  0.612388  0.456863  1
  C  C524  1  0.337630  0.279055  0.456863  1
  C  C525  1  0.268802  0.593492  0.517508  1
  C  C526  1  0.004296  0.945721  0.456863  1
  C  C527  1  0.935468  0.260159  0.517508  1
  C  C528  1  0.969817  0.602907  0.487187  1
  C  C529  1  0.602135  0.926825  0.517508  1
  C  C530  1  0.636484  0.269574  0.487187  1
  C  C531  1  0.303151  0.936240  0.487187  1
  C  C532  1  0.762846  0.766458  0.474365  1
  C  C533  1  0.429513  0.433125  0.474365  1
  C  C534  1  0.360505  0.747648  0.534952  1
  C  C535  1  0.096179  0.099792  0.474365  1
  C  C536  1  0.027171  0.414314  0.534952  1
  C  C537  1  0.061658  0.756983  0.504660  1
  C  C538  1  0.693838  0.080981  0.534952  1
  C  C539  1  0.728325  0.423650  0.504660  1
  C  C540  1  0.394991  0.090317  0.504660  1
  C  C541  1  0.460536  0.600386  0.495394  1
  C  C542  1  0.127202  0.267053  0.495394  1
  C  C543  1  0.161689  0.609722  0.465102  1
  C  C544  1  0.793869  0.933720  0.495394  1
  C  C545  1  0.828356  0.276389  0.465102  1
  C  C546  1  0.759348  0.590911  0.525688  1
  C  C547  1  0.495023  0.943055  0.465102  1
  C  C548  1  0.426015  0.257578  0.525688  1
  C  C549  1  0.092681  0.924245  0.525688  1
  C  C550  1  0.552376  0.754463  0.512867  1
  C  C551  1  0.219043  0.421129  0.512867  1
  C  C552  1  0.253392  0.763878  0.482546  1
  C  C553  1  0.885710  0.087796  0.512867  1
  C  C554  1  0.920059  0.430544  0.482546  1
  C  C555  1  0.851231  0.744982  0.543190  1
  C  C556  1  0.586725  0.097211  0.482546  1
  C  C557  1  0.517898  0.411648  0.543190  1
  C  C558  1  0.184564  0.078315  0.543190  1
  C  C559  1  0.567610  0.583971  0.547827  1
  C  C560  1  0.234276  0.250638  0.547827  1
  C  C561  1  0.165581  0.565269  0.608328  1
  C  C562  1  0.900943  0.917304  0.547827  1
  C  C563  1  0.832248  0.231935  0.608328  1
  C  C564  1  0.866216  0.574525  0.578114  1
  C  C565  1  0.498914  0.898602  0.608328  1
  C  C566  1  0.532883  0.241192  0.578114  1
  C  C567  1  0.199550  0.907859  0.578114  1
  C  C568  1  0.659473  0.738060  0.565228  1
  C  C569  1  0.326139  0.404726  0.565228  1
  C  C570  1  0.257192  0.719224  0.626014  1
  C  C571  1  0.992806  0.071393  0.565228  1
  C  C572  1  0.923859  0.385890  0.626014  1
  C  C573  1  0.958210  0.728747  0.595666  1
  C  C574  1  0.590526  0.052557  0.626014  1
  C  C575  1  0.624877  0.395414  0.595666  1
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