# generated using pymatgen
data_Fe431C144
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.71227876
_cell_length_b   14.81713598
_cell_length_c   20.57186908
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe431C144
_chemical_formula_sum   'Fe431 C144'
_cell_volume   5703.80535939
_cell_formula_units_Z   1
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  0.004004  0.080659  0.300589  1
  Fe  Fe2  1  0.003863  0.080933  0.634197  1
  Fe  Fe3  1  0.004148  0.082925  0.969659  1
  Fe  Fe4  1  0.003173  0.411162  0.302872  1
  Fe  Fe5  1  0.003205  0.411076  0.635952  1
  Fe  Fe6  1  0.003119  0.410453  0.968995  1
  Fe  Fe7  1  0.005970  0.737427  0.300466  1
  Fe  Fe8  1  0.006037  0.737710  0.633893  1
  Fe  Fe9  1  0.006217  0.736102  0.966636  1
  Fe  Fe10  1  0.252735  0.080100  0.302967  1
  Fe  Fe11  1  0.253071  0.078112  0.635786  1
  Fe  Fe12  1  0.253018  0.077265  0.969572  1
  Fe  Fe13  1  0.255165  0.405479  0.301206  1
  Fe  Fe14  1  0.255466  0.404976  0.634283  1
  Fe  Fe15  1  0.255494  0.404863  0.967335  1
  Fe  Fe16  1  0.254927  0.744741  0.300517  1
  Fe  Fe17  1  0.254682  0.746507  0.634229  1
  Fe  Fe18  1  0.254643  0.746970  0.967461  1
  Fe  Fe19  1  0.504222  0.075660  0.302285  1
  Fe  Fe20  1  0.504590  0.074783  0.635052  1
  Fe  Fe21  1  0.504509  0.074780  0.968557  1
  Fe  Fe22  1  0.506445  0.405661  0.300369  1
  Fe  Fe23  1  0.506087  0.406781  0.633940  1
  Fe  Fe24  1  0.506181  0.405780  0.966921  1
  Fe  Fe25  1  0.502557  0.748437  0.301802  1
  Fe  Fe26  1  0.502478  0.748575  0.635424  1
  Fe  Fe27  1  0.502572  0.748981  0.968993  1
  Fe  Fe28  1  0.756392  0.071316  0.300455  1
  Fe  Fe29  1  0.756531  0.071383  0.633604  1
  Fe  Fe30  1  0.756730  0.070935  0.967156  1
  Fe  Fe31  1  0.753632  0.415231  0.301134  1
  Fe  Fe32  1  0.753314  0.415354  0.634650  1
  Fe  Fe33  1  0.753421  0.415211  0.967742  1
  Fe  Fe34  1  0.753240  0.742817  0.302693  1
  Fe  Fe35  1  0.753331  0.742827  0.636005  1
  Fe  Fe36  1  0.753268  0.742922  0.969401  1
  Fe  Fe37  1  0.226353  0.244272  0.185296  1
  Fe  Fe38  1  0.226573  0.244382  0.518515  1
  Fe  Fe39  1  0.226601  0.243873  0.851763  1
  Fe  Fe40  1  0.227995  0.570891  0.185752  1
  Fe  Fe41  1  0.228039  0.571500  0.519209  1
  Fe  Fe42  1  0.228351  0.571321  0.852072  1
  Fe  Fe43  1  0.228838  0.913859  0.184652  1
  Fe  Fe44  1  0.228921  0.913768  0.517861  1
  Fe  Fe45  1  0.228357  0.914601  0.851606  1
  Fe  Fe46  1  0.478014  0.240293  0.185329  1
  Fe  Fe47  1  0.477894  0.239790  0.518823  1
  Fe  Fe48  1  0.477640  0.238108  0.852462  1
  Fe  Fe49  1  0.478739  0.574934  0.185108  1
  Fe  Fe50  1  0.478754  0.575826  0.518800  1
  Fe  Fe51  1  0.479343  0.579150  0.851555  1
  Fe  Fe52  1  0.477290  0.915218  0.185079  1
  Fe  Fe53  1  0.477422  0.914807  0.518086  1
  Fe  Fe54  1  0.476640  0.912800  0.851777  1
  Fe  Fe55  1  0.729035  0.238952  0.184963  1
  Fe  Fe56  1  0.728695  0.239319  0.518452  1
  Fe  Fe57  1  0.728559  0.239130  0.851730  1
  Fe  Fe58  1  0.727547  0.582298  0.185063  1
  Fe  Fe59  1  0.727590  0.582230  0.518456  1
  Fe  Fe60  1  0.727408  0.582279  0.851728  1
  Fe  Fe61  1  0.727363  0.908569  0.185164  1
  Fe  Fe62  1  0.727454  0.908308  0.518458  1
  Fe  Fe63  1  0.727454  0.908200  0.851915  1
  Fe  Fe64  1  0.977971  0.249550  0.185370  1
  Fe  Fe65  1  0.978100  0.248877  0.518088  1
  Fe  Fe66  1  0.977974  0.249785  0.850370  1
  Fe  Fe67  1  0.976797  0.575520  0.185236  1
  Fe  Fe68  1  0.976874  0.575972  0.518441  1
  Fe  Fe69  1  0.977142  0.575559  0.851818  1
  Fe  Fe70  1  0.978147  0.903228  0.185577  1
  Fe  Fe71  1  0.978389  0.904478  0.518751  1
  Fe  Fe72  1  0.978225  0.904573  0.852076  1
  Fe  Fe73  1  0.154585  0.141824  0.130956  1
  Fe  Fe74  1  0.154916  0.141585  0.463535  1
  Fe  Fe75  1  0.155042  0.142347  0.796597  1
  Fe  Fe76  1  0.155956  0.474449  0.130820  1
  Fe  Fe77  1  0.156056  0.474563  0.464369  1
  Fe  Fe78  1  0.156275  0.474216  0.797599  1
  Fe  Fe79  1  0.156872  0.801084  0.131292  1
  Fe  Fe80  1  0.156859  0.801595  0.464761  1
  Fe  Fe81  1  0.156542  0.801314  0.798059  1
  Fe  Fe82  1  0.405743  0.144238  0.130372  1
  Fe  Fe83  1  0.405804  0.143942  0.463577  1
  Fe  Fe84  1  0.405676  0.142492  0.797300  1
  Fe  Fe85  1  0.407117  0.470456  0.131038  1
  Fe  Fe86  1  0.406963  0.470109  0.464871  1
  Fe  Fe87  1  0.406917  0.468483  0.798315  1
  Fe  Fe88  1  0.404856  0.803533  0.131172  1
  Fe  Fe89  1  0.405082  0.804057  0.464056  1
  Fe  Fe90  1  0.404866  0.806701  0.796817  1
  Fe  Fe91  1  0.657154  0.139106  0.131147  1
  Fe  Fe92  1  0.656984  0.138764  0.464449  1
  Fe  Fe93  1  0.657056  0.138582  0.797647  1
  Fe  Fe94  1  0.655799  0.468121  0.131095  1
  Fe  Fe95  1  0.655631  0.468597  0.464634  1
  Fe  Fe96  1  0.655252  0.468457  0.798149  1
  Fe  Fe97  1  0.655095  0.810709  0.130378  1
  Fe  Fe98  1  0.655376  0.810614  0.463487  1
  Fe  Fe99  1  0.655361  0.810877  0.796985  1
  Fe  Fe100  1  0.906741  0.133436  0.131636  1
  Fe  Fe101  1  0.906379  0.134212  0.464515  1
  Fe  Fe102  1  0.906391  0.134377  0.797904  1
  Fe  Fe103  1  0.905046  0.477366  0.130053  1
  Fe  Fe104  1  0.905036  0.477031  0.463567  1
  Fe  Fe105  1  0.905113  0.478163  0.796444  1
  Fe  Fe106  1  0.906018  0.805776  0.131048  1
  Fe  Fe107  1  0.906435  0.806389  0.464427  1
  Fe  Fe108  1  0.906280  0.805853  0.797916  1
  Fe  Fe109  1  0.022963  0.152499  0.406396  1
  Fe  Fe110  1  0.022686  0.152841  0.739454  1
  Fe  Fe111  1  0.022876  0.486459  0.073814  1
  Fe  Fe112  1  0.022952  0.486542  0.407229  1
  Fe  Fe113  1  0.023253  0.486559  0.740334  1
  Fe  Fe114  1  0.025120  0.815553  0.074011  1
  Fe  Fe115  1  0.025057  0.816327  0.407398  1
  Fe  Fe116  1  0.024858  0.816410  0.740799  1
  Fe  Fe117  1  0.272093  0.153291  0.074224  1
  Fe  Fe118  1  0.272636  0.153470  0.406970  1
  Fe  Fe119  1  0.272851  0.152929  0.740397  1
  Fe  Fe120  1  0.274961  0.483458  0.073922  1
  Fe  Fe121  1  0.274588  0.483858  0.407710  1
  Fe  Fe122  1  0.274934  0.483256  0.741020  1
  Fe  Fe123  1  0.273449  0.819437  0.073148  1
  Fe  Fe124  1  0.273929  0.818519  0.406437  1
  Fe  Fe125  1  0.273304  0.819611  0.739675  1
  Fe  Fe126  1  0.524098  0.151922  0.073986  1
  Fe  Fe127  1  0.524092  0.152192  0.407176  1
  Fe  Fe128  1  0.524088  0.151542  0.740523  1
  Fe  Fe129  1  0.524750  0.483612  0.073592  1
  Fe  Fe130  1  0.524576  0.483725  0.407309  1
  Fe  Fe131  1  0.524123  0.483498  0.740679  1
  Fe  Fe132  1  0.522090  0.820393  0.073467  1
  Fe  Fe133  1  0.522503  0.819949  0.406449  1
  Fe  Fe134  1  0.522701  0.820824  0.739775  1
  Fe  Fe135  1  0.775412  0.149628  0.073895  1
  Fe  Fe136  1  0.775164  0.149813  0.407182  1
  Fe  Fe137  1  0.775176  0.149767  0.740426  1
  Fe  Fe138  1  0.772361  0.486728  0.073088  1
  Fe  Fe139  1  0.772378  0.486866  0.406465  1
  Fe  Fe140  1  0.772249  0.486792  0.739752  1
  Fe  Fe141  1  0.773055  0.819318  0.073859  1
  Fe  Fe142  1  0.773250  0.819088  0.407245  1
  Fe  Fe143  1  0.773372  0.819250  0.740615  1
  Fe  Fe144  1  0.207583  0.253385  0.298401  1
  Fe  Fe145  1  0.207974  0.253051  0.631780  1
  Fe  Fe146  1  0.207720  0.252899  0.965035  1
  Fe  Fe147  1  0.211072  0.583829  0.299258  1
  Fe  Fe148  1  0.211497  0.584061  0.632698  1
  Fe  Fe149  1  0.211562  0.583894  0.965655  1
  Fe  Fe150  1  0.209115  0.920911  0.298774  1
  Fe  Fe151  1  0.208392  0.920946  0.631687  1
  Fe  Fe152  1  0.207956  0.921407  0.965509  1
  Fe  Fe153  1  0.459517  0.251149  0.298764  1
  Fe  Fe154  1  0.459715  0.250562  0.632209  1
  Fe  Fe155  1  0.459213  0.249973  0.965865  1
  Fe  Fe156  1  0.460835  0.585802  0.299324  1
  Fe  Fe157  1  0.460689  0.586572  0.633017  1
  Fe  Fe158  1  0.461007  0.586893  0.965590  1
  Fe  Fe159  1  0.457510  0.921549  0.297980  1
  Fe  Fe160  1  0.457507  0.921318  0.630964  1
  Fe  Fe161  1  0.457221  0.921111  0.964811  1
  Fe  Fe162  1  0.711594  0.251420  0.299080  1
  Fe  Fe163  1  0.711517  0.251598  0.632500  1
  Fe  Fe164  1  0.711381  0.251100  0.965664  1
  Fe  Fe165  1  0.707101  0.588060  0.298154  1
  Fe  Fe166  1  0.707151  0.588345  0.631670  1
  Fe  Fe167  1  0.707083  0.588299  0.964916  1
  Fe  Fe168  1  0.708988  0.918507  0.298692  1
  Fe  Fe169  1  0.709068  0.918275  0.631846  1
  Fe  Fe170  1  0.708904  0.918270  0.965343  1
  Fe  Fe171  1  0.957807  0.254998  0.298409  1
  Fe  Fe172  1  0.957718  0.255150  0.631554  1
  Fe  Fe173  1  0.956623  0.255707  0.963292  1
  Fe  Fe174  1  0.958267  0.585627  0.298522  1
  Fe  Fe175  1  0.958409  0.585667  0.631830  1
  Fe  Fe176  1  0.958441  0.585148  0.965295  1
  Fe  Fe177  1  0.961651  0.916846  0.299409  1
  Fe  Fe178  1  0.961497  0.917218  0.632503  1
  Fe  Fe179  1  0.961722  0.917095  0.965943  1
  Fe  Fe180  1  0.021296  0.087345  0.186354  1
  Fe  Fe181  1  0.021509  0.087126  0.520877  1
  Fe  Fe182  1  0.021682  0.087851  0.854982  1
  Fe  Fe183  1  0.023356  0.420258  0.189155  1
  Fe  Fe184  1  0.023172  0.420164  0.522209  1
  Fe  Fe185  1  0.023278  0.420070  0.855280  1
  Fe  Fe186  1  0.024861  0.747857  0.187189  1
  Fe  Fe187  1  0.024448  0.749988  0.520146  1
  Fe  Fe188  1  0.024278  0.749678  0.852909  1
  Fe  Fe189  1  0.272692  0.087952  0.189521  1
  Fe  Fe190  1  0.272536  0.087378  0.522095  1
  Fe  Fe191  1  0.272912  0.086948  0.855792  1
  Fe  Fe192  1  0.274835  0.416927  0.187548  1
  Fe  Fe193  1  0.274248  0.417177  0.520648  1
  Fe  Fe194  1  0.274262  0.417140  0.853498  1
  Fe  Fe195  1  0.272421  0.753055  0.186869  1
  Fe  Fe196  1  0.272513  0.753298  0.520759  1
  Fe  Fe197  1  0.272078  0.753730  0.854089  1
  Fe  Fe198  1  0.524308  0.085643  0.188414  1
  Fe  Fe199  1  0.524293  0.085399  0.521383  1
  Fe  Fe200  1  0.524445  0.084619  0.854724  1
  Fe  Fe201  1  0.523879  0.417804  0.186739  1
  Fe  Fe202  1  0.523406  0.418247  0.520392  1
  Fe  Fe203  1  0.522618  0.418250  0.853028  1
  Fe  Fe204  1  0.521062  0.754702  0.188432  1
  Fe  Fe205  1  0.521383  0.754728  0.521916  1
  Fe  Fe206  1  0.522000  0.755140  0.856028  1
  Fe  Fe207  1  0.774374  0.083921  0.186574  1
  Fe  Fe208  1  0.774349  0.083702  0.519929  1
  Fe  Fe209  1  0.774656  0.083651  0.853337  1
  Fe  Fe210  1  0.771195  0.421156  0.188026  1
  Fe  Fe211  1  0.771198  0.421260  0.521402  1
  Fe  Fe212  1  0.770985  0.421225  0.854674  1
  Fe  Fe213  1  0.773552  0.752475  0.188739  1
  Fe  Fe214  1  0.773590  0.752778  0.521914  1
  Fe  Fe215  1  0.773617  0.752764  0.855290  1
  Fe  Fe216  1  0.208076  0.319437  0.079907  1
  Fe  Fe217  1  0.207751  0.319195  0.413282  1
  Fe  Fe218  1  0.208170  0.318796  0.746318  1
  Fe  Fe219  1  0.210695  0.649230  0.078346  1
  Fe  Fe220  1  0.210494  0.649468  0.412179  1
  Fe  Fe221  1  0.210715  0.649410  0.745209  1
  Fe  Fe222  1  0.207479  0.987688  0.080854  1
  Fe  Fe223  1  0.207625  0.986732  0.413608  1
  Fe  Fe224  1  0.207192  0.987702  0.747318  1
  Fe  Fe225  1  0.460176  0.317384  0.078831  1
  Fe  Fe226  1  0.460031  0.317318  0.412339  1
  Fe  Fe227  1  0.459837  0.316155  0.745437  1
  Fe  Fe228  1  0.458706  0.650920  0.079321  1
  Fe  Fe229  1  0.458558  0.651275  0.412897  1
  Fe  Fe230  1  0.458556  0.652719  0.746712  1
  Fe  Fe231  1  0.457144  0.987616  0.080808  1
  Fe  Fe232  1  0.457272  0.987063  0.413756  1
  Fe  Fe233  1  0.457388  0.986973  0.746896  1
  Fe  Fe234  1  0.709977  0.316329  0.078577  1
  Fe  Fe235  1  0.709954  0.316519  0.412196  1
  Fe  Fe236  1  0.709879  0.316419  0.745432  1
  Fe  Fe237  1  0.706738  0.654796  0.080918  1
  Fe  Fe238  1  0.706517  0.654558  0.414170  1
  Fe  Fe239  1  0.706602  0.654645  0.747578  1
  Fe  Fe240  1  0.709530  0.984685  0.079370  1
  Fe  Fe241  1  0.709450  0.984538  0.412467  1
  Fe  Fe242  1  0.709570  0.984759  0.745806  1
  Fe  Fe243  1  0.956850  0.322780  0.080812  1
  Fe  Fe244  1  0.957021  0.321212  0.414095  1
  Fe  Fe245  1  0.957174  0.321785  0.747182  1
  Fe  Fe246  1  0.958919  0.651657  0.079234  1
  Fe  Fe247  1  0.958727  0.651947  0.412759  1
  Fe  Fe248  1  0.958816  0.651540  0.745908  1
  Fe  Fe249  1  0.959957  0.980437  0.078843  1
  Fe  Fe250  1  0.960324  0.982249  0.411874  1
  Fe  Fe251  1  0.960193  0.982831  0.745510  1
  Fe  Fe252  1  0.094353  0.317416  0.136112  1
  Fe  Fe253  1  0.094210  0.316495  0.469092  1
  Fe  Fe254  1  0.094147  0.316686  0.802114  1
  Fe  Fe255  1  0.095954  0.648135  0.133080  1
  Fe  Fe256  1  0.095791  0.648486  0.467258  1
  Fe  Fe257  1  0.095759  0.648420  0.800270  1
  Fe  Fe258  1  0.096119  0.978684  0.136654  1
  Fe  Fe259  1  0.095236  0.980629  0.468845  1
  Fe  Fe260  1  0.095365  0.980655  0.802496  1
  Fe  Fe261  1  0.345410  0.315877  0.133816  1
  Fe  Fe262  1  0.345200  0.315820  0.467511  1
  Fe  Fe263  1  0.344889  0.315353  0.800325  1
  Fe  Fe264  1  0.345106  0.647162  0.134384  1
  Fe  Fe265  1  0.345222  0.647315  0.467953  1
  Fe  Fe266  1  0.345578  0.647443  0.801834  1
  Fe  Fe267  1  0.344744  0.983145  0.136590  1
  Fe  Fe268  1  0.344694  0.982981  0.469592  1
  Fe  Fe269  1  0.344595  0.983350  0.802769  1
  Fe  Fe270  1  0.595545  0.314596  0.133534  1
  Fe  Fe271  1  0.595416  0.314690  0.467074  1
  Fe  Fe272  1  0.595298  0.314130  0.800539  1
  Fe  Fe273  1  0.594720  0.648572  0.136316  1
  Fe  Fe274  1  0.594752  0.648702  0.469708  1
  Fe  Fe275  1  0.594625  0.648814  0.803310  1
  Fe  Fe276  1  0.594784  0.982972  0.134922  1
  Fe  Fe277  1  0.594812  0.982871  0.468057  1
  Fe  Fe278  1  0.595181  0.982995  0.801184  1
  Fe  Fe279  1  0.845414  0.314554  0.136110  1
  Fe  Fe280  1  0.845125  0.314552  0.469409  1
  Fe  Fe281  1  0.845079  0.314602  0.802536  1
  Fe  Fe282  1  0.844210  0.649913  0.134936  1
  Fe  Fe283  1  0.844384  0.649983  0.468495  1
  Fe  Fe284  1  0.844110  0.649929  0.801597  1
  Fe  Fe285  1  0.845320  0.981126  0.133652  1
  Fe  Fe286  1  0.845556  0.981309  0.466747  1
  Fe  Fe287  1  0.846043  0.981290  0.800598  1
  Fe  Fe288  1  0.133770  0.149558  0.018022  1
  Fe  Fe289  1  0.135869  0.149576  0.350953  1
  Fe  Fe290  1  0.135766  0.149732  0.684159  1
  Fe  Fe291  1  0.137097  0.482718  0.018443  1
  Fe  Fe292  1  0.136826  0.482991  0.351951  1
  Fe  Fe293  1  0.136955  0.482731  0.684959  1
  Fe  Fe294  1  0.138938  0.813244  0.018794  1
  Fe  Fe295  1  0.139300  0.813569  0.352222  1
  Fe  Fe296  1  0.139056  0.813610  0.685471  1
  Fe  Fe297  1  0.386081  0.150246  0.018747  1
  Fe  Fe298  1  0.386277  0.150554  0.351708  1
  Fe  Fe299  1  0.386428  0.150260  0.685222  1
  Fe  Fe300  1  0.389131  0.480624  0.018872  1
  Fe  Fe301  1  0.388883  0.481073  0.352601  1
  Fe  Fe302  1  0.389090  0.480620  0.685753  1
  Fe  Fe303  1  0.386066  0.815109  0.017210  1
  Fe  Fe304  1  0.386872  0.814696  0.350811  1
  Fe  Fe305  1  0.386470  0.815435  0.684114  1
  Fe  Fe306  1  0.638119  0.148300  0.018623  1
  Fe  Fe307  1  0.638029  0.148482  0.351784  1
  Fe  Fe308  1  0.638271  0.148249  0.685217  1
  Fe  Fe309  1  0.637773  0.480176  0.017946  1
  Fe  Fe310  1  0.638057  0.480341  0.351818  1
  Fe  Fe311  1  0.637898  0.480457  0.685162  1
  Fe  Fe312  1  0.635658  0.817256  0.018238  1
  Fe  Fe313  1  0.635718  0.817109  0.351238  1
  Fe  Fe314  1  0.635719  0.817396  0.684738  1
  Fe  Fe315  1  0.888840  0.146518  0.018167  1
  Fe  Fe316  1  0.888785  0.146367  0.351781  1
  Fe  Fe317  1  0.888769  0.146622  0.685046  1
  Fe  Fe318  1  0.885475  0.484052  0.017917  1
  Fe  Fe319  1  0.885514  0.483787  0.351196  1
  Fe  Fe320  1  0.885580  0.483981  0.684496  1
  Fe  Fe321  1  0.887226  0.814996  0.018483  1
  Fe  Fe322  1  0.887345  0.815467  0.351805  1
  Fe  Fe323  1  0.887407  0.815435  0.685259  1
  Fe  Fe324  1  0.095711  0.216470  0.240515  1
  Fe  Fe325  1  0.096257  0.215675  0.573780  1
  Fe  Fe326  1  0.097375  0.215650  0.906436  1
  Fe  Fe327  1  0.097313  0.546572  0.241191  1
  Fe  Fe328  1  0.098089  0.545905  0.574494  1
  Fe  Fe329  1  0.097759  0.545843  0.907830  1
  Fe  Fe330  1  0.098831  0.879075  0.241299  1
  Fe  Fe331  1  0.098348  0.879619  0.574655  1
  Fe  Fe332  1  0.098057  0.880329  0.908002  1
  Fe  Fe333  1  0.346858  0.214655  0.241223  1
  Fe  Fe334  1  0.346821  0.213770  0.574430  1
  Fe  Fe335  1  0.346271  0.213167  0.908092  1
  Fe  Fe336  1  0.348670  0.544439  0.241404  1
  Fe  Fe337  1  0.348994  0.544880  0.574950  1
  Fe  Fe338  1  0.349437  0.545207  0.908032  1
  Fe  Fe339  1  0.346773  0.882963  0.240497  1
  Fe  Fe340  1  0.346583  0.883207  0.573773  1
  Fe  Fe341  1  0.346012  0.883547  0.907174  1
  Fe  Fe342  1  0.598933  0.211599  0.241243  1
  Fe  Fe343  1  0.598877  0.211386  0.574559  1
  Fe  Fe344  1  0.598800  0.211038  0.907897  1
  Fe  Fe345  1  0.597163  0.547827  0.240993  1
  Fe  Fe346  1  0.597010  0.548426  0.574611  1
  Fe  Fe347  1  0.597608  0.548049  0.907633  1
  Fe  Fe348  1  0.596352  0.881916  0.240791  1
  Fe  Fe349  1  0.596333  0.881953  0.573842  1
  Fe  Fe350  1  0.595505  0.882958  0.907550  1
  Fe  Fe351  1  0.848223  0.214017  0.241095  1
  Fe  Fe352  1  0.848220  0.214043  0.574379  1
  Fe  Fe353  1  0.847654  0.214764  0.907671  1
  Fe  Fe354  1  0.845678  0.549184  0.240591  1
  Fe  Fe355  1  0.845775  0.549114  0.573969  1
  Fe  Fe356  1  0.845724  0.548848  0.907257  1
  Fe  Fe357  1  0.848121  0.878026  0.241244  1
  Fe  Fe358  1  0.848112  0.878422  0.574551  1
  Fe  Fe359  1  0.848159  0.878804  0.907955  1
  Fe  Fe360  1  0.074421  0.312177  0.024094  1
  Fe  Fe361  1  0.074720  0.309730  0.356830  1
  Fe  Fe362  1  0.074740  0.310099  0.689919  1
  Fe  Fe363  1  0.077708  0.639429  0.021480  1
  Fe  Fe364  1  0.077252  0.640215  0.355495  1
  Fe  Fe365  1  0.077440  0.640064  0.688521  1
  Fe  Fe366  1  0.077473  0.965520  0.021851  1
  Fe  Fe367  1  0.077182  0.967241  0.354804  1
  Fe  Fe368  1  0.076952  0.967596  0.688422  1
  Fe  Fe369  1  0.326608  0.306817  0.022025  1
  Fe  Fe370  1  0.326403  0.308898  0.356299  1
  Fe  Fe371  1  0.326626  0.307247  0.688906  1
  Fe  Fe372  1  0.327779  0.634370  0.021186  1
  Fe  Fe373  1  0.327674  0.634897  0.355013  1
  Fe  Fe374  1  0.327701  0.634522  0.688217  1
  Fe  Fe375  1  0.324810  0.976203  0.023761  1
  Fe  Fe376  1  0.325174  0.974125  0.356374  1
  Fe  Fe377  1  0.324944  0.975841  0.690060  1
  Fe  Fe378  1  0.577740  0.304206  0.021508  1
  Fe  Fe379  1  0.577764  0.304894  0.355080  1
  Fe  Fe380  1  0.577747  0.304030  0.688411  1
  Fe  Fe381  1  0.575760  0.636105  0.021912  1
  Fe  Fe382  1  0.575747  0.636098  0.355475  1
  Fe  Fe383  1  0.575601  0.637059  0.689156  1
  Fe  Fe384  1  0.575837  0.977390  0.023690  1
  Fe  Fe385  1  0.575646  0.976898  0.356564  1
  Fe  Fe386  1  0.575859  0.976916  0.689890  1
  Fe  Fe387  1  0.826576  0.301369  0.021654  1
  Fe  Fe388  1  0.826671  0.301418  0.355104  1
  Fe  Fe389  1  0.826631  0.301608  0.688284  1
  Fe  Fe390  1  0.824968  0.644165  0.023410  1
  Fe  Fe391  1  0.824928  0.644272  0.356859  1
  Fe  Fe392  1  0.825015  0.644270  0.690139  1
  Fe  Fe393  1  0.827884  0.971833  0.021741  1
  Fe  Fe394  1  0.827640  0.971956  0.354846  1
  Fe  Fe395  1  0.827632  0.971844  0.688436  1
  Fe  Fe396  1  0.133223  0.049691  0.246440  1
  Fe  Fe397  1  0.134031  0.049626  0.579498  1
  Fe  Fe398  1  0.134177  0.050931  0.913406  1
  Fe  Fe399  1  0.134868  0.382184  0.245860  1
  Fe  Fe400  1  0.134215  0.381252  0.579188  1
  Fe  Fe401  1  0.134819  0.381278  0.912365  1
  Fe  Fe402  1  0.136722  0.709533  0.244781  1
  Fe  Fe403  1  0.136035  0.710192  0.578212  1
  Fe  Fe404  1  0.136093  0.709810  0.911280  1
  Fe  Fe405  1  0.383724  0.050098  0.246465  1
  Fe  Fe406  1  0.383944  0.049436  0.579472  1
  Fe  Fe407  1  0.384560  0.049529  0.912945  1
  Fe  Fe408  1  0.385976  0.377882  0.245066  1
  Fe  Fe409  1  0.385387  0.377255  0.578417  1
  Fe  Fe410  1  0.385347  0.376590  0.911558  1
  Fe  Fe411  1  0.385152  0.714043  0.245444  1
  Fe  Fe412  1  0.385401  0.715119  0.579069  1
  Fe  Fe413  1  0.384644  0.715939  0.912542  1
  Fe  Fe414  1  0.635328  0.046258  0.245349  1
  Fe  Fe415  1  0.635478  0.046040  0.578543  1
  Fe  Fe416  1  0.635853  0.046101  0.912019  1
  Fe  Fe417  1  0.636274  0.378267  0.244871  1
  Fe  Fe418  1  0.635839  0.378495  0.578316  1
  Fe  Fe419  1  0.635505  0.377961  0.911493  1
  Fe  Fe420  1  0.632817  0.716496  0.246589  1
  Fe  Fe421  1  0.633290  0.716995  0.579975  1
  Fe  Fe422  1  0.633496  0.717807  0.913377  1
  Fe  Fe423  1  0.886055  0.043410  0.244721  1
  Fe  Fe424  1  0.886345  0.043751  0.578117  1
  Fe  Fe425  1  0.886797  0.044433  0.911892  1
  Fe  Fe426  1  0.883065  0.383909  0.246727  1
  Fe  Fe427  1  0.883188  0.383832  0.579728  1
  Fe  Fe428  1  0.883377  0.384038  0.912958  1
  Fe  Fe429  1  0.885255  0.713839  0.245387  1
  Fe  Fe430  1  0.884851  0.713591  0.578772  1
  Fe  Fe431  1  0.885002  0.713538  0.911997  1
  C  C432  1  0.164496  0.028010  0.001128  1
  C  C433  1  0.165103  0.027525  0.333801  1
  C  C434  1  0.164912  0.027609  0.667174  1
  C  C435  1  0.165852  0.360816  0.000171  1
  C  C436  1  0.165487  0.361057  0.333700  1
  C  C437  1  0.165745  0.360797  0.666843  1
  C  C438  1  0.168282  0.692001  -0.000951  1
  C  C439  1  0.168036  0.691984  0.332835  1
  C  C440  1  0.168140  0.692183  0.665984  1
  C  C441  1  0.415290  0.028449  0.000762  1
  C  C442  1  0.415068  0.028507  0.334030  1
  C  C443  1  0.415326  0.028384  0.667098  1
  C  C444  1  0.417302  0.358861  -0.000601  1
  C  C445  1  0.417392  0.359484  0.332995  1
  C  C446  1  0.417407  0.358946  0.666172  1
  C  C447  1  0.416175  0.693398  -0.000038  1
  C  C448  1  0.416325  0.692851  0.333153  1
  C  C449  1  0.416070  0.693529  0.666874  1
  C  C450  1  0.667118  0.026632  -0.000128  1
  C  C451  1  0.666847  0.026717  0.333116  1
  C  C452  1  0.667074  0.026556  0.666295  1
  C  C453  1  0.667576  0.358800  -0.000831  1
  C  C454  1  0.667762  0.359029  0.332710  1
  C  C455  1  0.667425  0.359058  0.666101  1
  C  C456  1  0.664272  0.695023  0.000964  1
  C  C457  1  0.664235  0.694796  0.334135  1
  C  C458  1  0.664297  0.695111  0.667618  1
  C  C459  1  0.918360  1.024949  -0.000323  1
  C  C460  1  0.918069  1.024955  0.332479  1
  C  C461  1  0.917940  1.025093  0.665984  1
  C  C462  1  0.914348  0.361939  0.000590  1
  C  C463  1  0.914615  0.361668  0.334165  1
  C  C464  1  0.914549  0.361871  0.667257  1
  C  C465  1  0.916316  0.693352  -0.000248  1
  C  C466  1  0.916211  0.693694  0.333252  1
  C  C467  1  0.916290  0.693719  0.666526  1
  C  C468  1  0.045811  0.195803  0.320762  1
  C  C469  1  0.045811  0.196158  0.653887  1
  C  C470  1  0.045610  0.199368  0.986199  1
  C  C471  1  0.046235  0.526285  0.320855  1
  C  C472  1  0.046385  0.526144  0.653891  1
  C  C473  1  0.046340  0.525383  0.987292  1
  C  C474  1  0.047937  0.852588  0.320143  1
  C  C475  1  0.047702  0.853034  0.653614  1
  C  C476  1  0.047443  0.851581  0.986585  1
  C  C477  1  0.295894  0.195130  0.321045  1
  C  C478  1  0.295784  0.193345  0.654099  1
  C  C479  1  0.295226  0.192821  0.987769  1
  C  C480  1  0.297605  0.520472  0.320564  1
  C  C481  1  0.297742  0.519994  0.653860  1
  C  C482  1  0.297869  0.519890  0.986711  1
  C  C483  1  0.296657  0.860033  0.320321  1
  C  C484  1  0.296499  0.861824  0.653835  1
  C  C485  1  0.296178  0.862349  0.987386  1
  C  C486  1  0.547219  0.190737  0.320493  1
  C  C487  1  0.547324  0.189835  0.653803  1
  C  C488  1  0.547192  0.189906  0.987170  1
  C  C489  1  0.547049  0.521539  0.320291  1
  C  C490  1  0.546967  0.522461  0.653999  1
  C  C491  1  0.546808  0.521746  0.986557  1
  C  C492  1  0.545682  0.863172  0.320874  1
  C  C493  1  0.545796  0.863347  0.654009  1
  C  C494  1  0.545694  0.863728  0.988021  1
  C  C495  1  0.797693  0.186904  0.320026  1
  C  C496  1  0.797642  0.187042  0.653300  1
  C  C497  1  0.797563  0.186806  0.986680  1
  C  C498  1  0.795593  0.530402  0.320977  1
  C  C499  1  0.795586  0.530405  0.654311  1
  C  C500  1  0.795488  0.530316  0.987594  1
  C  C501  1  0.796509  0.857824  0.320633  1
  C  C502  1  0.796630  0.857811  0.653959  1
  C  C503  1  0.796576  0.857927  0.987274  1
  C  C504  1  0.064309  0.195554  0.152858  1
  C  C505  1  0.064610  0.194576  0.486223  1
  C  C506  1  0.064519  0.194775  0.819233  1
  C  C507  1  0.065626  0.527523  0.153411  1
  C  C508  1  0.065664  0.527541  0.486862  1
  C  C509  1  0.065936  0.527403  0.820022  1
  C  C510  1  0.067417  0.856475  0.153865  1
  C  C511  1  0.067722  0.858170  0.486843  1
  C  C512  1  0.067568  0.858220  0.820234  1
  C  C513  1  0.314853  0.195162  0.153597  1
  C  C514  1  0.314877  0.194827  0.486719  1
  C  C515  1  0.315012  0.194384  0.820155  1
  C  C516  1  0.317364  0.525136  0.153525  1
  C  C517  1  0.317375  0.525352  0.487193  1
  C  C518  1  0.317822  0.525218  0.820331  1
  C  C519  1  0.315847  0.860716  0.152870  1
  C  C520  1  0.315924  0.860573  0.486122  1
  C  C521  1  0.315152  0.861263  0.819532  1
  C  C522  1  0.567079  0.193098  0.153450  1
  C  C523  1  0.567030  0.193077  0.486740  1
  C  C524  1  0.566984  0.192451  0.820099  1
  C  C525  1  0.567090  0.525811  0.153091  1
  C  C526  1  0.566886  0.526101  0.486766  1
  C  C527  1  0.566515  0.526198  0.820010  1
  C  C528  1  0.564174  0.861813  0.153277  1
  C  C529  1  0.564386  0.861605  0.486287  1
  C  C530  1  0.564424  0.861994  0.819810  1
  C  C531  1  0.818155  0.191752  0.153226  1
  C  C532  1  0.817687  0.191846  0.486638  1
  C  C533  1  0.817625  0.191929  0.819876  1
  C  C534  1  0.814124  0.528447  0.152962  1
  C  C535  1  0.814204  0.528501  0.486330  1
  C  C536  1  0.814007  0.528473  0.819634  1
  C  C537  1  0.816034  0.859920  0.153477  1
  C  C538  1  0.816270  0.860148  0.486728  1
  C  C539  1  0.816308  0.860172  0.820172  1
  C  C540  1  0.185482  0.360302  0.166162  1
  C  C541  1  0.185015  0.360061  0.499496  1
  C  C542  1  0.185167  0.359552  0.832504  1
  C  C543  1  0.187431  0.686604  0.165279  1
  C  C544  1  0.187362  0.687260  0.499044  1
  C  C545  1  0.187378  0.686969  0.832079  1
  C  C546  1  0.184806  0.028518  0.167150  1
  C  C547  1  0.184602  0.028049  0.499714  1
  C  C548  1  0.184360  0.029078  0.833455  1
  C  C549  1  0.436723  0.355816  0.165468  1
  C  C550  1  0.436655  0.355376  0.499074  1
  C  C551  1  0.436505  0.353599  0.832316  1
  C  C552  1  0.435668  0.689668  0.166036  1
  C  C553  1  0.435623  0.690460  0.499545  1
  C  C554  1  0.435309  0.693448  0.832930  1
  C  C555  1  0.434561  0.030365  0.166601  1
  C  C556  1  0.434645  0.029901  0.499515  1
  C  C557  1  0.434979  0.028501  0.833029  1
  C  C558  1  0.686845  0.354072  0.165477  1
  C  C559  1  0.686627  0.354520  0.498999  1
  C  C560  1  0.686502  0.354328  0.832240  1
  C  C561  1  0.683921  0.696978  0.166828  1
  C  C562  1  0.684060  0.696933  0.500109  1
  C  C563  1  0.684021  0.697098  0.833468  1
  C  C564  1  0.686077  1.024268  0.165739  1
  C  C565  1  0.686150  1.023950  0.498909  1
  C  C566  1  0.686421  1.023979  0.832331  1
  C  C567  1  0.934095  0.364024  0.166975  1
  C  C568  1  0.934134  0.363400  0.499998  1
  C  C569  1  0.933861  0.364396  0.832878  1
  C  C570  1  0.935560  0.691185  0.165636  1
  C  C571  1  0.935618  0.691733  0.499153  1
  C  C572  1  0.935496  0.691025  0.832324  1
  C  C573  1  0.937073  1.018841  0.165638  1
  C  C574  1  0.937067  1.019927  0.498752  1
  C  C575  1  0.937447  1.020472  0.832516  1
