# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.50431355
_cell_length_b   15.87196643
_cell_length_c   48.84715600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.27136167
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe450 C180'
_cell_volume   11213.9666875
_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  0.865283  0.361510  0.356607  1
  Fe  Fe2  1  0.569802  0.379447  0.326582  1
  Fe  Fe3  1  0.531950  0.028177  0.356607  1
  Fe  Fe4  1  0.273822  0.397278  0.295967  1
  Fe  Fe5  1  0.236468  0.046114  0.326582  1
  Fe  Fe6  1  0.198617  0.694843  0.356607  1
  Fe  Fe7  1  0.940489  0.063944  0.295967  1
  Fe  Fe8  1  0.903135  0.712780  0.326582  1
  Fe  Fe9  1  0.607156  0.730611  0.295967  1
  Fe  Fe10  1  0.638160  0.259709  0.310798  1
  Fe  Fe11  1  0.341799  0.274876  0.280093  1
  Fe  Fe12  1  0.304827  0.926376  0.310798  1
  Fe  Fe13  1  0.935099  0.243437  0.342184  1
  Fe  Fe14  1  0.008466  0.941543  0.280093  1
  Fe  Fe15  1  0.971493  0.593042  0.310798  1
  Fe  Fe16  1  0.601765  0.910104  0.342184  1
  Fe  Fe17  1  0.675132  0.608210  0.280093  1
  Fe  Fe18  1  0.268432  0.576770  0.342184  1
  Fe  Fe19  1  0.743384  0.486239  0.278155  1
  Fe  Fe20  1  0.334237  0.450988  0.338849  1
  Fe  Fe21  1  0.410051  0.152906  0.278155  1
  Fe  Fe22  1  0.038754  0.468914  0.308048  1
  Fe  Fe23  1  0.000903  0.117655  0.338849  1
  Fe  Fe24  1  0.076718  0.819573  0.278155  1
  Fe  Fe25  1  0.705421  0.135581  0.308048  1
  Fe  Fe26  1  0.667570  0.784321  0.338849  1
  Fe  Fe27  1  0.372087  0.802247  0.308048  1
  Fe  Fe28  1  0.864802  0.465940  0.313570  1
  Fe  Fe29  1  0.569741  0.482494  0.282630  1
  Fe  Fe30  1  0.531469  0.132607  0.313570  1
  Fe  Fe31  1  0.161781  0.448738  0.343780  1
  Fe  Fe32  1  0.236407  0.149161  0.282630  1
  Fe  Fe33  1  0.198136  0.799274  0.313570  1
  Fe  Fe34  1  0.828447  0.115405  0.343780  1
  Fe  Fe35  1  0.903074  0.815827  0.282630  1
  Fe  Fe36  1  0.495114  0.782071  0.343780  1
  Fe  Fe37  1  0.638238  0.156334  0.355245  1
  Fe  Fe38  1  0.341908  0.174326  0.324841  1
  Fe  Fe39  1  0.304905  0.823001  0.355245  1
  Fe  Fe40  1  0.048028  0.191070  0.294816  1
  Fe  Fe41  1  0.008574  0.840993  0.324841  1
  Fe  Fe42  1  0.971572  0.489667  0.355245  1
  Fe  Fe43  1  0.714695  0.857736  0.294816  1
  Fe  Fe44  1  0.675241  0.507659  0.324841  1
  Fe  Fe45  1  0.381361  0.524403  0.294816  1
  Fe  Fe46  1  0.734518  0.378780  0.327967  1
  Fe  Fe47  1  0.438654  0.396340  0.297561  1
  Fe  Fe48  1  0.401184  0.045447  0.327967  1
  Fe  Fe49  1  0.030070  0.360594  0.358163  1
  Fe  Fe50  1  0.105320  0.063007  0.297561  1
  Fe  Fe51  1  0.067851  0.712113  0.327967  1
  Fe  Fe52  1  0.696736  0.027261  0.358163  1
  Fe  Fe53  1  0.771987  0.729674  0.297561  1
  Fe  Fe54  1  0.363403  0.693928  0.358163  1
  Fe  Fe55  1  0.880099  0.331820  0.299697  1
  Fe  Fe56  1  0.470360  0.295747  0.359763  1
  Fe  Fe57  1  0.546765  0.998487  0.299697  1
  Fe  Fe58  1  0.174973  0.313263  0.329648  1
  Fe  Fe59  1  0.137026  0.962413  0.359763  1
  Fe  Fe60  1  0.213432  0.665154  0.299697  1
  Fe  Fe61  1  0.841639  0.979930  0.329648  1
  Fe  Fe62  1  0.803693  0.629080  0.359763  1
  Fe  Fe63  1  0.508306  0.646597  0.329648  1
  Fe  Fe64  1  0.769624  0.243750  0.340893  1
  Fe  Fe65  1  0.473645  0.261273  0.310088  1
  Fe  Fe66  1  0.436291  0.910417  0.340893  1
  Fe  Fe67  1  0.177129  0.282402  0.280042  1
  Fe  Fe68  1  0.140312  0.927940  0.310088  1
  Fe  Fe69  1  0.102957  0.577084  0.340893  1
  Fe  Fe70  1  0.843795  0.949069  0.280042  1
  Fe  Fe71  1  0.806979  0.594606  0.310088  1
  Fe  Fe72  1  0.510462  0.615736  0.280042  1
  Fe  Fe73  1  0.873722  0.188280  0.299639  1
  Fe  Fe74  1  0.466208  0.153730  0.359749  1
  Fe  Fe75  1  0.540388  0.854946  0.299639  1
  Fe  Fe76  1  0.170553  0.171147  0.329436  1
  Fe  Fe77  1  0.132874  0.820397  0.359749  1
  Fe  Fe78  1  0.207055  0.521613  0.299639  1
  Fe  Fe79  1  0.837220  0.837814  0.329436  1
  Fe  Fe80  1  0.799541  0.487064  0.359749  1
  Fe  Fe81  1  0.503886  0.504481  0.329436  1
  Fe  Fe82  1  0.738341  0.343696  0.278186  1
  Fe  Fe83  1  0.329647  0.307978  0.338641  1
  Fe  Fe84  1  0.405007  0.010363  0.278186  1
  Fe  Fe85  1  0.034648  0.326063  0.308785  1
  Fe  Fe86  1  0.996314  0.974644  0.338641  1
  Fe  Fe87  1  0.071674  0.677029  0.278186  1
  Fe  Fe88  1  0.701315  0.992729  0.308785  1
  Fe  Fe89  1  0.662980  0.641311  0.338641  1
  Fe  Fe90  1  0.367981  0.659396  0.308785  1
  Fe  Fe91  1  0.751567  0.307209  0.447571  1
  Fe  Fe92  1  0.456176  0.325385  0.417305  1
  Fe  Fe93  1  0.418234  0.973875  0.447571  1
  Fe  Fe94  1  0.160643  0.343223  0.387016  1
  Fe  Fe95  1  0.122842  0.992052  0.417305  1
  Fe  Fe96  1  0.084901  0.640542  0.447571  1
  Fe  Fe97  1  0.827309  0.009889  0.387016  1
  Fe  Fe98  1  0.789509  0.658718  0.417305  1
  Fe  Fe99  1  0.493976  0.676556  0.387016  1
  Fe  Fe100  1  0.525783  0.206928  0.402435  1
  Fe  Fe101  1  0.230292  0.224703  0.372126  1
  Fe  Fe102  1  0.192450  0.873594  0.402435  1
  Fe  Fe103  1  0.821526  0.189078  0.432918  1
  Fe  Fe104  1  0.896958  0.891370  0.372126  1
  Fe  Fe105  1  0.859117  0.540261  0.402435  1
  Fe  Fe106  1  0.488193  0.855745  0.432918  1
  Fe  Fe107  1  0.563625  0.558037  0.372126  1
  Fe  Fe108  1  0.154859  0.522412  0.432918  1
  Fe  Fe109  1  0.629655  0.433081  0.369055  1
  Fe  Fe110  1  0.220646  0.397007  0.429678  1
  Fe  Fe111  1  0.296322  0.099747  0.369055  1
  Fe  Fe112  1  0.925239  0.415218  0.399393  1
  Fe  Fe113  1  0.887313  0.063674  0.429678  1
  Fe  Fe114  1  0.962989  0.766414  0.369055  1
  Fe  Fe115  1  0.591905  0.081885  0.399393  1
  Fe  Fe116  1  0.553980  0.730340  0.429678  1
  Fe  Fe117  1  0.258572  0.748552  0.399393  1
  Fe  Fe118  1  0.752706  0.412761  0.404122  1
  Fe  Fe119  1  0.457308  0.430261  0.373686  1
  Fe  Fe120  1  0.419373  0.079428  0.404122  1
  Fe  Fe121  1  0.048243  0.394479  0.434306  1
  Fe  Fe122  1  0.123974  0.096928  0.373686  1
  Fe  Fe123  1  0.086040  0.746094  0.404122  1
  Fe  Fe124  1  0.714910  0.061146  0.434306  1
  Fe  Fe125  1  0.790641  0.763595  0.373686  1
  Fe  Fe126  1  0.381576  0.727812  0.434306  1
  Fe  Fe127  1  0.524610  0.101865  0.446148  1
  Fe  Fe128  1  0.229516  0.119652  0.415852  1
  Fe  Fe129  1  0.191277  0.768532  0.446148  1
  Fe  Fe130  1  0.933983  0.137645  0.385599  1
  Fe  Fe131  1  0.896183  0.786318  0.415852  1
  Fe  Fe132  1  0.857944  0.435198  0.446148  1
  Fe  Fe133  1  0.600649  0.804311  0.385599  1
  Fe  Fe134  1  0.562849  0.452985  0.415852  1
  Fe  Fe135  1  0.267316  0.470978  0.385599  1
  Fe  Fe136  1  0.621094  0.324521  0.418735  1
  Fe  Fe137  1  0.325660  0.342353  0.388431  1
  Fe  Fe138  1  0.287761  0.991187  0.418735  1
  Fe  Fe139  1  0.916529  0.306615  0.449008  1
  Fe  Fe140  1  0.992326  0.009020  0.388431  1
  Fe  Fe141  1  0.954427  0.657854  0.418735  1
  Fe  Fe142  1  0.583196  0.973282  0.449008  1
  Fe  Fe143  1  0.658993  0.675686  0.388431  1
  Fe  Fe144  1  0.249863  0.639949  0.449008  1
  Fe  Fe145  1  0.765458  0.278290  0.390188  1
  Fe  Fe146  1  0.356428  0.241955  0.450715  1
  Fe  Fe147  1  0.432125  0.944957  0.390188  1
  Fe  Fe148  1  0.061167  0.259965  0.420361  1
  Fe  Fe149  1  0.023094  0.908622  0.450715  1
  Fe  Fe150  1  0.098792  0.611624  0.390188  1
  Fe  Fe151  1  0.727834  0.926631  0.420361  1
  Fe  Fe152  1  0.689761  0.575288  0.450715  1
  Fe  Fe153  1  0.394501  0.593298  0.420361  1
  Fe  Fe154  1  0.656439  0.189631  0.431430  1
  Fe  Fe155  1  0.361221  0.207726  0.401018  1
  Fe  Fe156  1  0.323105  0.856298  0.431430  1
  Fe  Fe157  1  0.065486  0.225692  0.370941  1
  Fe  Fe158  1  0.027888  0.874393  0.401018  1
  Fe  Fe159  1  0.989772  0.522965  0.431430  1
  Fe  Fe160  1  0.732153  0.892359  0.370941  1
  Fe  Fe161  1  0.694555  0.541059  0.401018  1
  Fe  Fe162  1  0.398820  0.559025  0.370941  1
  Fe  Fe163  1  0.761391  0.135231  0.390273  1
  Fe  Fe164  1  0.352483  0.099266  0.450741  1
  Fe  Fe165  1  0.428058  0.801898  0.390273  1
  Fe  Fe166  1  0.056978  0.117180  0.420462  1
  Fe  Fe167  1  0.019150  0.765933  0.450741  1
  Fe  Fe168  1  0.094725  0.468564  0.390273  1
  Fe  Fe169  1  0.723644  0.783846  0.420462  1
  Fe  Fe170  1  0.685816  0.432600  0.450741  1
  Fe  Fe171  1  0.390311  0.450513  0.420462  1
  Fe  Fe172  1  0.625689  0.290281  0.369105  1
  Fe  Fe173  1  0.216536  0.254228  0.429741  1
  Fe  Fe174  1  0.292355  0.956948  0.369105  1
  Fe  Fe175  1  0.921214  0.272367  0.399526  1
  Fe  Fe176  1  0.883202  0.920895  0.429741  1
  Fe  Fe177  1  0.959022  0.623614  0.369105  1
  Fe  Fe178  1  0.587881  0.939033  0.399526  1
  Fe  Fe179  1  0.549869  0.587562  0.429741  1
  Fe  Fe180  1  0.254548  0.605700  0.399526  1
  Fe  Fe181  1  0.637782  0.253082  0.538437  1
  Fe  Fe182  1  0.342402  0.271106  0.508166  1
  Fe  Fe183  1  0.304449  0.919749  0.538437  1
  Fe  Fe184  1  0.046940  0.289109  0.477855  1
  Fe  Fe185  1  0.009068  0.937773  0.508166  1
  Fe  Fe186  1  0.971116  0.586415  0.538437  1
  Fe  Fe187  1  0.713606  0.955776  0.477855  1
  Fe  Fe188  1  0.675735  0.604440  0.508166  1
  Fe  Fe189  1  0.380273  0.622443  0.477855  1
  Fe  Fe190  1  0.412294  0.152862  0.493429  1
  Fe  Fe191  1  0.116913  0.170886  0.463158  1
  Fe  Fe192  1  0.078960  0.819528  0.493429  1
  Fe  Fe193  1  0.707755  0.134859  0.523740  1
  Fe  Fe194  1  0.783580  0.837553  0.463158  1
  Fe  Fe195  1  0.745627  0.486195  0.493429  1
  Fe  Fe196  1  0.374422  0.801525  0.523740  1
  Fe  Fe197  1  0.450246  0.504219  0.463158  1
  Fe  Fe198  1  0.041089  0.468192  0.523740  1
  Fe  Fe199  1  0.516059  0.378965  0.459965  1
  Fe  Fe200  1  0.106925  0.342892  0.520522  1
  Fe  Fe201  1  0.182725  0.045631  0.459965  1
  Fe  Fe202  1  0.811479  0.360957  0.490250  1
  Fe  Fe203  1  0.773591  0.009558  0.520522  1
  Fe  Fe204  1  0.849392  0.712298  0.459965  1
  Fe  Fe205  1  0.478146  0.027623  0.490250  1
  Fe  Fe206  1  0.440258  0.676225  0.520522  1
  Fe  Fe207  1  0.144812  0.694290  0.490250  1
  Fe  Fe208  1  0.639067  0.358403  0.494878  1
  Fe  Fe209  1  0.343674  0.376390  0.464577  1
  Fe  Fe210  1  0.305734  0.025070  0.494878  1
  Fe  Fe211  1  0.934553  0.340311  0.525149  1
  Fe  Fe212  1  0.010341  0.043056  0.464577  1
  Fe  Fe213  1  0.972401  0.691737  0.494878  1
  Fe  Fe214  1  0.601219  0.006977  0.525149  1
  Fe  Fe215  1  0.677008  0.709723  0.464577  1
  Fe  Fe216  1  0.267886  0.673644  0.525149  1
  Fe  Fe217  1  0.411021  0.047579  0.537018  1
  Fe  Fe218  1  0.115628  0.065565  0.506717  1
  Fe  Fe219  1  0.077687  0.714245  0.537018  1
  Fe  Fe220  1  0.820143  0.083658  0.476446  1
  Fe  Fe221  1  0.782294  0.732231  0.506717  1
  Fe  Fe222  1  0.744354  0.380912  0.537018  1
  Fe  Fe223  1  0.486809  0.750324  0.476446  1
  Fe  Fe224  1  0.448961  0.398898  0.506717  1
  Fe  Fe225  1  0.153476  0.416991  0.476446  1
  Fe  Fe226  1  0.507365  0.270450  0.509607  1
  Fe  Fe227  1  0.211968  0.288477  0.479296  1
  Fe  Fe228  1  0.174032  0.937116  0.509607  1
  Fe  Fe229  1  0.802840  0.252405  0.539864  1
  Fe  Fe230  1  0.878635  0.955143  0.479296  1
  Fe  Fe231  1  0.840698  0.603783  0.509607  1
  Fe  Fe232  1  0.469506  0.919072  0.539864  1
  Fe  Fe233  1  0.545302  0.621810  0.479296  1
  Fe  Fe234  1  0.136173  0.585738  0.539864  1
  Fe  Fe235  1  0.651888  0.223918  0.480990  1
  Fe  Fe236  1  0.242718  0.187757  0.541556  1
  Fe  Fe237  1  0.318555  0.890584  0.480990  1
  Fe  Fe238  1  0.947336  0.205849  0.511256  1
  Fe  Fe239  1  0.909385  0.854424  0.541556  1
  Fe  Fe240  1  0.985222  0.557251  0.480990  1
  Fe  Fe241  1  0.614002  0.872515  0.511256  1
  Fe  Fe242  1  0.576052  0.521090  0.541556  1
  Fe  Fe243  1  0.280669  0.539182  0.511256  1
  Fe  Fe244  1  0.542727  0.135491  0.522299  1
  Fe  Fe245  1  0.247330  0.153518  0.491988  1
  Fe  Fe246  1  0.209393  0.802158  0.522299  1
  Fe  Fe247  1  0.951855  0.171563  0.461731  1
  Fe  Fe248  1  0.913997  0.820185  0.491988  1
  Fe  Fe249  1  0.876060  0.468825  0.522299  1
  Fe  Fe250  1  0.618522  0.838230  0.461731  1
  Fe  Fe251  1  0.580663  0.486852  0.491988  1
  Fe  Fe252  1  0.285189  0.504896  0.461731  1
  Fe  Fe253  1  0.647770  0.081077  0.481073  1
  Fe  Fe254  1  0.238636  0.045004  0.541630  1
  Fe  Fe255  1  0.314437  0.747743  0.481073  1
  Fe  Fe256  1  0.943216  0.063012  0.511345  1
  Fe  Fe257  1  0.905303  0.711670  0.541630  1
  Fe  Fe258  1  0.981104  0.414410  0.481073  1
  Fe  Fe259  1  0.609883  0.729678  0.511345  1
  Fe  Fe260  1  0.571970  0.378337  0.541630  1
  Fe  Fe261  1  0.276550  0.396345  0.511345  1
  Fe  Fe262  1  0.511977  0.236211  0.460039  1
  Fe  Fe263  1  0.102807  0.200050  0.520605  1
  Fe  Fe264  1  0.178644  0.902878  0.460039  1
  Fe  Fe265  1  0.807360  0.218120  0.490339  1
  Fe  Fe266  1  0.769474  0.866717  0.520605  1
  Fe  Fe267  1  0.845310  0.569544  0.460039  1
  Fe  Fe268  1  0.474026  0.884786  0.490339  1
  Fe  Fe269  1  0.436140  0.533384  0.520605  1
  Fe  Fe270  1  0.140693  0.551453  0.490339  1
  Fe  Fe271  1  0.524404  0.199265  0.629469  1
  Fe  Fe272  1  0.228912  0.217040  0.599160  1
  Fe  Fe273  1  0.191070  0.865931  0.629469  1
  Fe  Fe274  1  0.933169  0.234890  0.568678  1
  Fe  Fe275  1  0.895579  0.883707  0.599160  1
  Fe  Fe276  1  0.857737  0.532598  0.629469  1
  Fe  Fe277  1  0.599836  0.901556  0.568678  1
  Fe  Fe278  1  0.562245  0.550374  0.599160  1
  Fe  Fe279  1  0.266502  0.568223  0.568678  1
  Fe  Fe280  1  0.298520  0.098583  0.584290  1
  Fe  Fe281  1  0.003128  0.116759  0.554024  1
  Fe  Fe282  1  0.965186  0.765250  0.584290  1
  Fe  Fe283  1  0.594053  0.080746  0.614579  1
  Fe  Fe284  1  0.669794  0.783426  0.554024  1
  Fe  Fe285  1  0.631853  0.431916  0.584290  1
  Fe  Fe286  1  0.260719  0.747412  0.614579  1
  Fe  Fe287  1  0.336461  0.450093  0.554024  1
  Fe  Fe288  1  0.927386  0.414079  0.614579  1
  Fe  Fe289  1  0.402212  0.324702  0.550854  1
  Fe  Fe290  1  0.993304  0.288737  0.611322  1
  Fe  Fe291  1  0.068879  0.991368  0.550854  1
  Fe  Fe292  1  0.697718  0.306788  0.581133  1
  Fe  Fe293  1  0.659971  0.955404  0.611322  1
  Fe  Fe294  1  0.735545  0.658035  0.550854  1
  Fe  Fe295  1  0.364384  0.973455  0.581133  1
  Fe  Fe296  1  0.326637  0.622070  0.611322  1
  Fe  Fe297  1  0.031051  0.640122  0.581133  1
  Fe  Fe298  1  0.525179  0.304316  0.585743  1
  Fe  Fe299  1  0.230085  0.322103  0.555447  1
  Fe  Fe300  1  0.191846  0.970983  0.585743  1
  Fe  Fe301  1  0.820712  0.286323  0.615996  1
  Fe  Fe302  1  0.896752  0.988770  0.555447  1
  Fe  Fe303  1  0.858513  0.637650  0.585743  1
  Fe  Fe304  1  0.487379  0.952990  0.615996  1
  Fe  Fe305  1  0.563418  0.655436  0.555447  1
  Fe  Fe306  1  0.154046  0.619657  0.615996  1
  Fe  Fe307  1  0.297387  0.993707  0.627909  1
  Fe  Fe308  1  0.001989  0.011207  0.597473  1
  Fe  Fe309  1  0.964054  0.660373  0.627909  1
  Fe  Fe310  1  0.706452  0.029489  0.567289  1
  Fe  Fe311  1  0.668656  0.677874  0.597473  1
  Fe  Fe312  1  0.630721  0.327040  0.627909  1
  Fe  Fe313  1  0.373119  0.696156  0.567289  1
  Fe  Fe314  1  0.335322  0.344540  0.597473  1
  Fe  Fe315  1  0.039785  0.362823  0.567289  1
  Fe  Fe316  1  0.393474  0.216242  0.600577  1
  Fe  Fe317  1  0.098257  0.234337  0.570165  1
  Fe  Fe318  1  0.060141  0.882909  0.600577  1
  Fe  Fe319  1  0.689209  0.198276  0.630654  1
  Fe  Fe320  1  0.764923  0.901003  0.570165  1
  Fe  Fe321  1  0.726807  0.549575  0.600577  1
  Fe  Fe322  1  0.355876  0.864943  0.630654  1
  Fe  Fe323  1  0.431590  0.567670  0.570165  1
  Fe  Fe324  1  0.022542  0.531609  0.630654  1
  Fe  Fe325  1  0.538160  0.169740  0.571854  1
  Fe  Fe326  1  0.129007  0.133687  0.632490  1
  Fe  Fe327  1  0.204826  0.836407  0.571854  1
  Fe  Fe328  1  0.833481  0.151601  0.602069  1
  Fe  Fe329  1  0.795673  0.800354  0.632490  1
  Fe  Fe330  1  0.871493  0.503073  0.571854  1
  Fe  Fe331  1  0.500148  0.818268  0.602069  1
  Fe  Fe332  1  0.462340  0.467021  0.632490  1
  Fe  Fe333  1  0.166814  0.484935  0.602069  1
  Fe  Fe334  1  0.429035  0.081615  0.613164  1
  Fe  Fe335  1  0.133601  0.099447  0.582860  1
  Fe  Fe336  1  0.095702  0.748282  0.613164  1
  Fe  Fe337  1  0.838166  0.117353  0.552587  1
  Fe  Fe338  1  0.800268  0.766114  0.582860  1
  Fe  Fe339  1  0.762369  0.414948  0.613164  1
  Fe  Fe340  1  0.504833  0.784020  0.552587  1
  Fe  Fe341  1  0.466934  0.432781  0.582860  1
  Fe  Fe342  1  0.171499  0.450686  0.552587  1
  Fe  Fe343  1  0.534049  0.026961  0.571917  1
  Fe  Fe344  1  0.125040  0.990887  0.632540  1
  Fe  Fe345  1  0.200716  0.693628  0.571917  1
  Fe  Fe346  1  0.829456  0.008750  0.602202  1
  Fe  Fe347  1  0.791707  0.657554  0.632540  1
  Fe  Fe348  1  0.867382  0.360295  0.571917  1
  Fe  Fe349  1  0.496123  0.675417  0.602202  1
  Fe  Fe350  1  0.458373  0.324221  0.632540  1
  Fe  Fe351  1  0.162790  0.342083  0.602202  1
  Fe  Fe352  1  0.398268  0.182013  0.550880  1
  Fe  Fe353  1  0.989237  0.145678  0.611407  1
  Fe  Fe354  1  0.064934  0.848680  0.550880  1
  Fe  Fe355  1  0.693528  0.164004  0.581234  1
  Fe  Fe356  1  0.655903  0.812344  0.611407  1
  Fe  Fe357  1  0.731601  0.515347  0.550880  1
  Fe  Fe358  1  0.360195  0.830670  0.581234  1
  Fe  Fe359  1  0.322570  0.479011  0.611407  1
  Fe  Fe360  1  0.026861  0.497337  0.581234  1
  Fe  Fe361  1  0.412896  0.149092  0.721502  1
  Fe  Fe362  1  0.116535  0.164259  0.690797  1
  Fe  Fe363  1  0.079563  0.815758  0.721502  1
  Fe  Fe364  1  0.819597  0.180531  0.659411  1
  Fe  Fe365  1  0.783202  0.830926  0.690797  1
  Fe  Fe366  1  0.746230  0.482425  0.721502  1
  Fe  Fe367  1  0.486263  0.847198  0.659411  1
  Fe  Fe368  1  0.449869  0.497592  0.690797  1
  Fe  Fe369  1  0.152930  0.513864  0.659411  1
  Fe  Fe370  1  0.184893  0.044521  0.675013  1
  Fe  Fe371  1  0.889412  0.062458  0.644988  1
  Fe  Fe372  1  0.851560  0.711188  0.675013  1
  Fe  Fe373  1  0.480873  0.026690  0.705628  1
  Fe  Fe374  1  0.556078  0.729125  0.644988  1
  Fe  Fe375  1  0.518227  0.377854  0.675013  1
  Fe  Fe376  1  0.147540  0.693357  0.705628  1
  Fe  Fe377  1  0.222745  0.395792  0.644988  1
  Fe  Fe378  1  0.814206  0.360024  0.705628  1
  Fe  Fe379  1  0.288487  0.270238  0.641846  1
  Fe  Fe380  1  0.880974  0.235689  0.701956  1
  Fe  Fe381  1  0.955154  0.936904  0.641846  1
  Fe  Fe382  1  0.584142  0.252821  0.672159  1
  Fe  Fe383  1  0.547640  0.902355  0.701956  1
  Fe  Fe384  1  0.621821  0.603571  0.641846  1
  Fe  Fe385  1  0.250809  0.919488  0.672159  1
  Fe  Fe386  1  0.214307  0.569022  0.701956  1
  Fe  Fe387  1  0.917476  0.586154  0.672159  1
  Fe  Fe388  1  0.412788  0.249642  0.676754  1
  Fe  Fe389  1  0.116457  0.267634  0.646350  1
  Fe  Fe390  1  0.079454  0.916309  0.676754  1
  Fe  Fe391  1  0.706667  0.232899  0.706779  1
  Fe  Fe392  1  0.783124  0.934301  0.646350  1
  Fe  Fe393  1  0.746121  0.582976  0.676754  1
  Fe  Fe394  1  0.373334  0.899565  0.706779  1
  Fe  Fe395  1  0.449790  0.600967  0.646350  1
  Fe  Fe396  1  0.040000  0.566232  0.706779  1
  Fe  Fe397  1  0.184954  0.941474  0.718965  1
  Fe  Fe398  1  0.889893  0.958028  0.688025  1
  Fe  Fe399  1  0.851621  0.608141  0.718965  1
  Fe  Fe400  1  0.592915  0.975230  0.657815  1
  Fe  Fe401  1  0.556560  0.624694  0.688025  1
  Fe  Fe402  1  0.518288  0.274807  0.718965  1
  Fe  Fe403  1  0.259581  0.641897  0.657815  1
  Fe  Fe404  1  0.223226  0.291361  0.688025  1
  Fe  Fe405  1  0.926248  0.308563  0.657815  1
  Fe  Fe406  1  0.281050  0.162695  0.691507  1
  Fe  Fe407  1  0.985071  0.180218  0.660702  1
  Fe  Fe408  1  0.947716  0.829362  0.691507  1
  Fe  Fe409  1  0.577567  0.141566  0.721553  1
  Fe  Fe410  1  0.651738  0.846885  0.660702  1
  Fe  Fe411  1  0.614383  0.496029  0.691507  1
  Fe  Fe412  1  0.244233  0.808232  0.721553  1
  Fe  Fe413  1  0.318405  0.513551  0.660702  1
  Fe  Fe414  1  0.910900  0.474899  0.721553  1
  Fe  Fe415  1  0.425048  0.115990  0.662954  1
  Fe  Fe416  1  0.016354  0.080272  0.723409  1
  Fe  Fe417  1  0.091715  0.782657  0.662954  1
  Fe  Fe418  1  0.720047  0.097906  0.692810  1
  Fe  Fe419  1  0.683021  0.746939  0.723409  1
  Fe  Fe420  1  0.758381  0.449324  0.662954  1
  Fe  Fe421  1  0.386714  0.764572  0.692810  1
  Fe  Fe422  1  0.349688  0.413605  0.723409  1
  Fe  Fe423  1  0.053381  0.431239  0.692810  1
  Fe  Fe424  1  0.316041  0.027628  0.704034  1
  Fe  Fe425  1  0.020177  0.045188  0.673628  1
  Fe  Fe426  1  0.982708  0.694294  0.704034  1
  Fe  Fe427  1  0.724626  0.063374  0.643432  1
  Fe  Fe428  1  0.686844  0.711855  0.673628  1
  Fe  Fe429  1  0.649375  0.360961  0.704034  1
  Fe  Fe430  1  0.391292  0.730040  0.643432  1
  Fe  Fe431  1  0.353511  0.378521  0.673628  1
  Fe  Fe432  1  0.057959  0.396707  0.643432  1
  Fe  Fe433  1  0.420459  0.972980  0.662746  1
  Fe  Fe434  1  0.011311  0.937729  0.723440  1
  Fe  Fe435  1  0.087125  0.639647  0.662746  1
  Fe  Fe436  1  0.715941  0.955054  0.693547  1
  Fe  Fe437  1  0.677977  0.604395  0.723440  1
  Fe  Fe438  1  0.753792  0.306313  0.662746  1
  Fe  Fe439  1  0.382608  0.621721  0.693547  1
  Fe  Fe440  1  0.344644  0.271062  0.723440  1
  Fe  Fe441  1  0.049275  0.288388  0.693547  1
  Fe  Fe442  1  0.284336  0.128221  0.641832  1
  Fe  Fe443  1  0.874596  0.092148  0.701898  1
  Fe  Fe444  1  0.951002  0.794888  0.641832  1
  Fe  Fe445  1  0.579723  0.110705  0.671947  1
  Fe  Fe446  1  0.541263  0.758815  0.701898  1
  Fe  Fe447  1  0.617669  0.461555  0.641832  1
  Fe  Fe448  1  0.246389  0.777371  0.671947  1
  Fe  Fe449  1  0.207930  0.425481  0.701898  1
  Fe  Fe450  1  0.913056  0.444038  0.671947  1
  C  C451  1  0.852556  0.424852  0.276636  1
  C  C452  1  0.443041  0.389127  0.336804  1
  C  C453  1  0.519223  0.091519  0.276636  1
  C  C454  1  0.147839  0.407267  0.306939  1
  C  C455  1  0.109708  0.055793  0.336804  1
  C  C456  1  0.185890  0.758186  0.276636  1
  C  C457  1  0.814506  0.073933  0.306939  1
  C  C458  1  0.776375  0.722460  0.336804  1
  C  C459  1  0.481173  0.740600  0.306939  1
  C  C460  1  0.959916  0.262660  0.279609  1
  C  C461  1  0.551506  0.228352  0.339472  1
  C  C462  1  0.626583  0.929327  0.279609  1
  C  C463  1  0.254999  0.245912  0.308923  1
  C  C464  1  0.218173  0.895019  0.339472  1
  C  C465  1  0.293250  0.595993  0.279609  1
  C  C466  1  0.921666  0.912578  0.308923  1
  C  C467  1  0.884840  0.561686  0.339472  1
  C  C468  1  0.588332  0.579245  0.308923  1
  C  C469  1  0.657746  0.411828  0.298364  1
  C  C470  1  0.248844  0.375844  0.358887  1
  C  C471  1  0.324412  0.078495  0.298364  1
  C  C472  1  0.953740  0.394843  0.328610  1
  C  C473  1  0.915510  0.042511  0.358887  1
  C  C474  1  0.991079  0.745162  0.298364  1
  C  C475  1  0.620407  0.061509  0.328610  1
  C  C476  1  0.582177  0.709178  0.358887  1
  C  C477  1  0.287073  0.728176  0.328610  1
  C  C478  1  0.766167  0.251800  0.301671  1
  C  C479  1  0.356909  0.214924  0.361766  1
  C  C480  1  0.432834  0.918466  0.301671  1
  C  C481  1  0.061364  0.232414  0.331689  1
  C  C482  1  0.023575  0.881590  0.361766  1
  C  C483  1  0.099500  0.585133  0.301671  1
  C  C484  1  0.728031  0.899081  0.331689  1
  C  C485  1  0.690242  0.548257  0.361766  1
  C  C486  1  0.394697  0.565747  0.331689  1
  C  C487  1  0.738976  0.371885  0.367206  1
  C  C488  1  0.329601  0.335329  0.427684  1
  C  C489  1  0.405643  0.038552  0.367206  1
  C  C490  1  0.034132  0.353465  0.397409  1
  C  C491  1  0.996267  0.001996  0.427684  1
  C  C492  1  0.072309  0.705218  0.367206  1
  C  C493  1  0.700799  0.020131  0.397409  1
  C  C494  1  0.662934  0.668663  0.427684  1
  C  C495  1  0.367466  0.686798  0.397409  1
  C  C496  1  0.847040  0.210303  0.370296  1
  C  C497  1  0.437821  0.174285  0.430628  1
  C  C498  1  0.513706  0.876969  0.370296  1
  C  C499  1  0.142594  0.192023  0.400387  1
  C  C500  1  0.104488  0.840951  0.430628  1
  C  C501  1  0.180373  0.543636  0.370296  1
  C  C502  1  0.809261  0.858690  0.400387  1
  C  C503  1  0.771155  0.507618  0.430628  1
  C  C504  1  0.475928  0.525356  0.400387  1
  C  C505  1  0.544359  0.358063  0.389178  1
  C  C506  1  0.135156  0.322080  0.449765  1
  C  C507  1  0.211025  0.024730  0.389178  1
  C  C508  1  0.839743  0.340299  0.419481  1
  C  C509  1  0.801823  0.988747  0.449765  1
  C  C510  1  0.877692  0.691396  0.389178  1
  C  C511  1  0.506410  0.006965  0.419481  1
  C  C512  1  0.468490  0.655413  0.449765  1
  C  C513  1  0.173077  0.673632  0.419481  1
  C  C514  1  0.652472  0.196982  0.392183  1
  C  C515  1  0.243428  0.160798  0.452739  1
  C  C516  1  0.319138  0.863649  0.392183  1
  C  C517  1  0.947994  0.178809  0.422482  1
  C  C518  1  0.910095  0.827465  0.452739  1
  C  C519  1  0.985805  0.530315  0.392183  1
  C  C520  1  0.614661  0.845476  0.422482  1
  C  C521  1  0.576761  0.494131  0.452739  1
  C  C522  1  0.281328  0.512142  0.422482  1
  C  C523  1  0.625059  0.317351  0.457984  1
  C  C524  1  0.215845  0.281166  0.518544  1
  C  C525  1  0.291726  0.984017  0.457984  1
  C  C526  1  0.920421  0.299269  0.488255  1
  C  C527  1  0.882512  0.947833  0.518544  1
  C  C528  1  0.958392  0.650684  0.457984  1
  C  C529  1  0.587088  0.965935  0.488255  1
  C  C530  1  0.549178  0.614500  0.518544  1
  C  C531  1  0.253755  0.632602  0.488255  1
  C  C532  1  0.733210  0.156004  0.460969  1
  C  C533  1  0.324104  0.119920  0.521529  1
  C  C534  1  0.399876  0.822671  0.460969  1
  C  C535  1  0.028697  0.137932  0.491251  1
  C  C536  1  0.990771  0.786587  0.521529  1
  C  C537  1  0.066543  0.489338  0.460969  1
  C  C538  1  0.695364  0.804598  0.491251  1
  C  C539  1  0.657438  0.453254  0.521529  1
  C  C540  1  0.362030  0.471265  0.491251  1
  C  C541  1  0.430591  0.304048  0.480066  1
  C  C542  1  0.021486  0.267964  0.540626  1
  C  C543  1  0.097257  0.970715  0.480066  1
  C  C544  1  0.725998  0.286036  0.510344  1
  C  C545  1  0.688152  0.934630  0.540626  1
  C  C546  1  0.763924  0.637381  0.480066  1
  C  C547  1  0.392665  0.952703  0.510344  1
  C  C548  1  0.354819  0.601297  0.540626  1
  C  C549  1  0.059332  0.619370  0.510344  1
  C  C550  1  0.538850  0.142802  0.483051  1
  C  C551  1  0.129636  0.106617  0.543611  1
  C  C552  1  0.205517  0.809468  0.483051  1
  C  C553  1  0.834274  0.124699  0.513340  1
  C  C554  1  0.796303  0.773284  0.543611  1
  C  C555  1  0.872183  0.476135  0.483051  1
  C  C556  1  0.500940  0.791366  0.513340  1
  C  C557  1  0.462970  0.439951  0.543611  1
  C  C558  1  0.167607  0.458033  0.513340  1
  C  C559  1  0.511267  0.263170  0.548856  1
  C  C560  1  0.102224  0.226986  0.609412  1
  C  C561  1  0.177934  0.929837  0.548856  1
  C  C562  1  0.806701  0.245159  0.579113  1
  C  C563  1  0.768890  0.893653  0.609412  1
  C  C564  1  0.844601  0.596503  0.548856  1
  C  C565  1  0.473368  0.911826  0.579113  1
  C  C566  1  0.435557  0.560319  0.609412  1
  C  C567  1  0.140034  0.578492  0.579113  1
  C  C568  1  0.619539  0.101888  0.551830  1
  C  C569  1  0.210337  0.065905  0.612417  1
  C  C570  1  0.286206  0.768555  0.551830  1
  C  C571  1  0.914952  0.083669  0.582114  1
  C  C572  1  0.877003  0.732572  0.612417  1
  C  C573  1  0.952872  0.435221  0.551830  1
  C  C574  1  0.581618  0.750336  0.582114  1
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  C  C630  1  0.940189  0.350035  0.694656  1
