# generated using pymatgen
data_Fe431C144
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.74097048
_cell_length_b   14.69429115
_cell_length_c   20.65328730
_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   5687.61123537
_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  0.007547  0.075104  0.632949  1
  Fe  Fe2  1  0.007829  0.075073  0.966333  1
  Fe  Fe3  1  0.007991  0.408840  0.299569  1
  Fe  Fe4  1  0.007726  0.408506  0.633045  1
  Fe  Fe5  1  0.007699  0.408391  0.966537  1
  Fe  Fe6  1  0.007357  0.742992  0.300106  1
  Fe  Fe7  1  0.007658  0.742115  0.633148  1
  Fe  Fe8  1  0.007777  0.741939  0.966411  1
  Fe  Fe9  1  0.257564  0.075296  0.299748  1
  Fe  Fe10  1  0.257676  0.074923  0.632524  1
  Fe  Fe11  1  0.257820  0.075091  0.966315  1
  Fe  Fe12  1  0.257954  0.408959  0.299697  1
  Fe  Fe13  1  0.257608  0.408552  0.633102  1
  Fe  Fe14  1  0.257574  0.408374  0.966464  1
  Fe  Fe15  1  0.257472  0.742157  0.299719  1
  Fe  Fe16  1  0.257704  0.742089  0.633050  1
  Fe  Fe17  1  0.257782  0.741833  0.966306  1
  Fe  Fe18  1  0.507427  0.075709  0.299844  1
  Fe  Fe19  1  0.507691  0.075258  0.632945  1
  Fe  Fe20  1  0.507833  0.075180  0.966403  1
  Fe  Fe21  1  0.507679  0.408770  0.299726  1
  Fe  Fe22  1  0.507582  0.408564  0.633086  1
  Fe  Fe23  1  0.507697  0.408446  0.966422  1
  Fe  Fe24  1  0.507638  0.741993  0.299717  1
  Fe  Fe25  1  0.507686  0.741779  0.633082  1
  Fe  Fe26  1  0.507797  0.741866  0.966394  1
  Fe  Fe27  1  0.756813  0.076665  0.299966  1
  Fe  Fe28  1  0.757565  0.075493  0.633084  1
  Fe  Fe29  1  0.757841  0.075087  0.966430  1
  Fe  Fe30  1  0.757700  0.408813  0.299652  1
  Fe  Fe31  1  0.757669  0.408454  0.633058  1
  Fe  Fe32  1  0.757794  0.408388  0.966503  1
  Fe  Fe33  1  0.757626  0.741981  0.299701  1
  Fe  Fe34  1  0.757726  0.741681  0.633148  1
  Fe  Fe35  1  0.757831  0.741959  0.966456  1
  Fe  Fe36  1  0.222888  0.241598  0.183032  1
  Fe  Fe37  1  0.222782  0.241596  0.516184  1
  Fe  Fe38  1  0.222957  0.241636  0.849629  1
  Fe  Fe39  1  0.223003  0.575075  0.182877  1
  Fe  Fe40  1  0.222956  0.575802  0.516167  1
  Fe  Fe41  1  0.222989  0.575253  0.849462  1
  Fe  Fe42  1  0.223297  0.908332  0.182949  1
  Fe  Fe43  1  0.222959  0.908564  0.516372  1
  Fe  Fe44  1  0.222921  0.908587  0.849577  1
  Fe  Fe45  1  0.472988  0.241856  0.183004  1
  Fe  Fe46  1  0.472705  0.241927  0.516287  1
  Fe  Fe47  1  0.472968  0.241768  0.849634  1
  Fe  Fe48  1  0.473015  0.575139  0.182901  1
  Fe  Fe49  1  0.472791  0.575325  0.516394  1
  Fe  Fe50  1  0.472937  0.575165  0.849597  1
  Fe  Fe51  1  0.473280  0.908529  0.182951  1
  Fe  Fe52  1  0.473027  0.908567  0.516273  1
  Fe  Fe53  1  0.472955  0.908544  0.849604  1
  Fe  Fe54  1  0.722980  0.241825  0.183197  1
  Fe  Fe55  1  0.722322  0.242201  0.516654  1
  Fe  Fe56  1  0.722940  0.241832  0.849732  1
  Fe  Fe57  1  0.723037  0.575143  0.182966  1
  Fe  Fe58  1  0.722787  0.575032  0.516573  1
  Fe  Fe59  1  0.723043  0.575165  0.849601  1
  Fe  Fe60  1  0.723241  0.908572  0.182988  1
  Fe  Fe61  1  0.723030  0.908589  0.516177  1
  Fe  Fe62  1  0.722914  0.908509  0.849719  1
  Fe  Fe63  1  0.972783  0.241861  0.183402  1
  Fe  Fe64  1  0.972899  0.241937  0.516198  1
  Fe  Fe65  1  0.973003  0.241711  0.849708  1
  Fe  Fe66  1  0.973079  0.575038  0.182935  1
  Fe  Fe67  1  0.973048  0.575246  0.516319  1
  Fe  Fe68  1  0.973123  0.575292  0.849454  1
  Fe  Fe69  1  0.973748  0.908991  0.183077  1
  Fe  Fe70  1  0.972784  0.908709  0.516231  1
  Fe  Fe71  1  0.972917  0.908644  0.849562  1
  Fe  Fe72  1  0.151890  0.140529  0.129446  1
  Fe  Fe73  1  0.152024  0.140796  0.462337  1
  Fe  Fe74  1  0.152139  0.140785  0.795630  1
  Fe  Fe75  1  0.152168  0.473815  0.129061  1
  Fe  Fe76  1  0.152195  0.474049  0.462565  1
  Fe  Fe77  1  0.152191  0.473828  0.795688  1
  Fe  Fe78  1  0.152564  0.807322  0.128747  1
  Fe  Fe79  1  0.152087  0.808148  0.462593  1
  Fe  Fe80  1  0.152079  0.807530  0.795807  1
  Fe  Fe81  1  0.402122  0.140673  0.129248  1
  Fe  Fe82  1  0.402054  0.140739  0.462412  1
  Fe  Fe83  1  0.402184  0.140787  0.795747  1
  Fe  Fe84  1  0.402188  0.474046  0.129076  1
  Fe  Fe85  1  0.402013  0.474231  0.462471  1
  Fe  Fe86  1  0.402137  0.473976  0.795767  1
  Fe  Fe87  1  0.402469  0.807453  0.128968  1
  Fe  Fe88  1  0.402151  0.807647  0.462509  1
  Fe  Fe89  1  0.402081  0.807429  0.795860  1
  Fe  Fe90  1  0.652170  0.140712  0.129304  1
  Fe  Fe91  1  0.651877  0.140794  0.462604  1
  Fe  Fe92  1  0.652144  0.140731  0.795811  1
  Fe  Fe93  1  0.652193  0.474023  0.129175  1
  Fe  Fe94  1  0.652050  0.474584  0.462469  1
  Fe  Fe95  1  0.652161  0.474096  0.795915  1
  Fe  Fe96  1  0.652454  0.807490  0.129107  1
  Fe  Fe97  1  0.652120  0.807230  0.462444  1
  Fe  Fe98  1  0.652117  0.807376  0.795852  1
  Fe  Fe99  1  0.902101  0.140743  0.129083  1
  Fe  Fe100  1  0.901738  0.141462  0.463525  1
  Fe  Fe101  1  0.902110  0.140897  0.795775  1
  Fe  Fe102  1  0.902170  0.474038  0.129110  1
  Fe  Fe103  1  0.902126  0.474438  0.462777  1
  Fe  Fe104  1  0.902217  0.473968  0.795886  1
  Fe  Fe105  1  0.902383  0.807381  0.129225  1
  Fe  Fe106  1  0.902272  0.807421  0.462384  1
  Fe  Fe107  1  0.902095  0.807518  0.795874  1
  Fe  Fe108  1  0.020207  0.158619  0.071806  1
  Fe  Fe109  1  0.020632  0.156477  0.404674  1
  Fe  Fe110  1  0.019957  0.158450  0.738156  1
  Fe  Fe111  1  0.019817  0.491978  0.071519  1
  Fe  Fe112  1  0.020125  0.491982  0.404891  1
  Fe  Fe113  1  0.020011  0.491549  0.738199  1
  Fe  Fe114  1  0.019856  0.824954  0.071358  1
  Fe  Fe115  1  0.020035  0.825203  0.404685  1
  Fe  Fe116  1  0.019831  0.825383  0.738211  1
  Fe  Fe117  1  0.269905  0.158418  0.071599  1
  Fe  Fe118  1  0.270204  0.157747  0.404785  1
  Fe  Fe119  1  0.270063  0.158190  0.738174  1
  Fe  Fe120  1  0.269915  0.491689  0.071509  1
  Fe  Fe121  1  0.269953  0.492067  0.404860  1
  Fe  Fe122  1  0.269855  0.491691  0.738183  1
  Fe  Fe123  1  0.270257  0.824808  0.071477  1
  Fe  Fe124  1  0.270467  0.824651  0.404851  1
  Fe  Fe125  1  0.269825  0.825255  0.738262  1
  Fe  Fe126  1  0.519935  0.158579  0.071636  1
  Fe  Fe127  1  0.520023  0.158270  0.404864  1
  Fe  Fe128  1  0.519958  0.158473  0.738232  1
  Fe  Fe129  1  0.519981  0.491658  0.071572  1
  Fe  Fe130  1  0.519964  0.491847  0.404919  1
  Fe  Fe131  1  0.519918  0.491648  0.738326  1
  Fe  Fe132  1  0.520160  0.825007  0.071576  1
  Fe  Fe133  1  0.520325  0.824666  0.404831  1
  Fe  Fe134  1  0.519904  0.825103  0.738284  1
  Fe  Fe135  1  0.770082  0.158648  0.071790  1
  Fe  Fe136  1  0.769940  0.158817  0.405026  1
  Fe  Fe137  1  0.769879  0.158373  0.738363  1
  Fe  Fe138  1  0.769911  0.491819  0.071586  1
  Fe  Fe139  1  0.770163  0.491860  0.405018  1
  Fe  Fe140  1  0.770030  0.491522  0.738359  1
  Fe  Fe141  1  0.770266  0.825244  0.071768  1
  Fe  Fe142  1  0.770446  0.824493  0.404643  1
  Fe  Fe143  1  0.769893  0.825152  0.738326  1
  Fe  Fe144  1  0.204225  0.252355  0.295893  1
  Fe  Fe145  1  0.203433  0.251255  0.629019  1
  Fe  Fe146  1  0.203522  0.251342  0.962494  1
  Fe  Fe147  1  0.203650  0.585575  0.295924  1
  Fe  Fe148  1  0.203532  0.585328  0.629044  1
  Fe  Fe149  1  0.203560  0.584785  0.962272  1
  Fe  Fe150  1  0.204312  0.918745  0.295869  1
  Fe  Fe151  1  0.203468  0.918248  0.628963  1
  Fe  Fe152  1  0.203678  0.918534  0.962458  1
  Fe  Fe153  1  0.453818  0.252001  0.295863  1
  Fe  Fe154  1  0.453401  0.251551  0.629074  1
  Fe  Fe155  1  0.453554  0.251492  0.962471  1
  Fe  Fe156  1  0.453600  0.585098  0.295756  1
  Fe  Fe157  1  0.453463  0.585011  0.629182  1
  Fe  Fe158  1  0.453571  0.584789  0.962411  1
  Fe  Fe159  1  0.454058  0.918521  0.295848  1
  Fe  Fe160  1  0.453551  0.918268  0.629097  1
  Fe  Fe161  1  0.453624  0.918344  0.962442  1
  Fe  Fe162  1  0.703922  0.252148  0.296038  1
  Fe  Fe163  1  0.703409  0.251734  0.629166  1
  Fe  Fe164  1  0.703613  0.251472  0.962554  1
  Fe  Fe165  1  0.703596  0.584953  0.295810  1
  Fe  Fe166  1  0.703545  0.584781  0.629290  1
  Fe  Fe167  1  0.703609  0.584932  0.962484  1
  Fe  Fe168  1  0.704157  0.919010  0.296252  1
  Fe  Fe169  1  0.703504  0.918332  0.629109  1
  Fe  Fe170  1  0.703626  0.918334  0.962562  1
  Fe  Fe171  1  0.954630  0.252943  0.296338  1
  Fe  Fe172  1  0.953448  0.251635  0.629079  1
  Fe  Fe173  1  0.953611  0.251363  0.962568  1
  Fe  Fe174  1  0.953648  0.585007  0.295871  1
  Fe  Fe175  1  0.953592  0.585009  0.629222  1
  Fe  Fe176  1  0.953571  0.584953  0.962380  1
  Fe  Fe177  1  0.955023  0.921763  0.296736  1
  Fe  Fe178  1  0.953332  0.918342  0.629135  1
  Fe  Fe179  1  0.953570  0.918366  0.962420  1
  Fe  Fe180  1  0.027079  0.085183  0.189133  1
  Fe  Fe181  1  0.026926  0.084824  0.519970  1
  Fe  Fe182  1  0.027196  0.084784  0.853570  1
  Fe  Fe183  1  0.027370  0.418119  0.186890  1
  Fe  Fe184  1  0.027166  0.418258  0.520162  1
  Fe  Fe185  1  0.027173  0.418200  0.853523  1
  Fe  Fe186  1  0.027343  0.751417  0.187159  1
  Fe  Fe187  1  0.026968  0.752836  0.519866  1
  Fe  Fe188  1  0.027171  0.751821  0.853460  1
  Fe  Fe189  1  0.277184  0.084644  0.186793  1
  Fe  Fe190  1  0.276633  0.084629  0.519759  1
  Fe  Fe191  1  0.277205  0.084767  0.853522  1
  Fe  Fe192  1  0.277234  0.418283  0.186905  1
  Fe  Fe193  1  0.277000  0.418530  0.520136  1
  Fe  Fe194  1  0.277100  0.418231  0.853460  1
  Fe  Fe195  1  0.277268  0.751620  0.186832  1
  Fe  Fe196  1  0.277074  0.751868  0.520254  1
  Fe  Fe197  1  0.277125  0.751731  0.853414  1
  Fe  Fe198  1  0.527352  0.084877  0.186970  1
  Fe  Fe199  1  0.526836  0.085164  0.520120  1
  Fe  Fe200  1  0.527203  0.084928  0.853577  1
  Fe  Fe201  1  0.527232  0.418306  0.186869  1
  Fe  Fe202  1  0.526965  0.418394  0.520247  1
  Fe  Fe203  1  0.527095  0.418220  0.853531  1
  Fe  Fe204  1  0.527275  0.751641  0.186782  1
  Fe  Fe205  1  0.527124  0.751393  0.520279  1
  Fe  Fe206  1  0.527169  0.751566  0.853541  1
  Fe  Fe207  1  0.777709  0.084418  0.187542  1
  Fe  Fe208  1  0.776546  0.085836  0.520249  1
  Fe  Fe209  1  0.777142  0.084964  0.853592  1
  Fe  Fe210  1  0.777269  0.418323  0.186877  1
  Fe  Fe211  1  0.777161  0.418126  0.520231  1
  Fe  Fe212  1  0.777186  0.418160  0.853584  1
  Fe  Fe213  1  0.777302  0.751736  0.186683  1
  Fe  Fe214  1  0.777255  0.750683  0.520526  1
  Fe  Fe215  1  0.777158  0.751685  0.853618  1
  Fe  Fe216  1  0.210772  0.324809  0.077742  1
  Fe  Fe217  1  0.210726  0.324805  0.411057  1
  Fe  Fe218  1  0.210704  0.324863  0.744399  1
  Fe  Fe219  1  0.210837  0.658379  0.077616  1
  Fe  Fe220  1  0.210497  0.658516  0.411183  1
  Fe  Fe221  1  0.210666  0.658588  0.744285  1
  Fe  Fe222  1  0.210810  0.991272  0.077587  1
  Fe  Fe223  1  0.209620  0.990361  0.410685  1
  Fe  Fe224  1  0.210544  0.991918  0.744238  1
  Fe  Fe225  1  0.460735  0.325056  0.077758  1
  Fe  Fe226  1  0.460617  0.325125  0.411095  1
  Fe  Fe227  1  0.460640  0.325033  0.744389  1
  Fe  Fe228  1  0.460864  0.658394  0.077663  1
  Fe  Fe229  1  0.460484  0.658262  0.411120  1
  Fe  Fe230  1  0.460709  0.658424  0.744409  1
  Fe  Fe231  1  0.460953  0.991804  0.077720  1
  Fe  Fe232  1  0.460314  0.991048  0.411050  1
  Fe  Fe233  1  0.460735  0.991777  0.744374  1
  Fe  Fe234  1  0.710808  0.324822  0.077805  1
  Fe  Fe235  1  0.710491  0.325375  0.411116  1
  Fe  Fe236  1  0.710619  0.325162  0.744475  1
  Fe  Fe237  1  0.710926  0.658429  0.077711  1
  Fe  Fe238  1  0.710481  0.658051  0.411095  1
  Fe  Fe239  1  0.710791  0.658310  0.744474  1
  Fe  Fe240  1  0.711058  0.992132  0.077862  1
  Fe  Fe241  1  0.709724  0.990642  0.411139  1
  Fe  Fe242  1  0.710634  0.991812  0.744426  1
  Fe  Fe243  1  0.960856  0.324677  0.077832  1
  Fe  Fe244  1  0.960384  0.324868  0.410999  1
  Fe  Fe245  1  0.960669  0.324946  0.744464  1
  Fe  Fe246  1  0.960875  0.658464  0.077753  1
  Fe  Fe247  1  0.960634  0.658198  0.411152  1
  Fe  Fe248  1  0.960900  0.658373  0.744503  1
  Fe  Fe249  1  0.961236  0.992133  0.077747  1
  Fe  Fe250  1  0.959180  0.990520  0.411258  1
  Fe  Fe251  1  0.960610  0.991975  0.744355  1
  Fe  Fe252  1  0.098243  0.316203  0.133401  1
  Fe  Fe253  1  0.097981  0.317008  0.466367  1
  Fe  Fe254  1  0.097963  0.317022  0.799718  1
  Fe  Fe255  1  0.098166  0.650323  0.133004  1
  Fe  Fe256  1  0.097856  0.650667  0.466580  1
  Fe  Fe257  1  0.097986  0.650422  0.799709  1
  Fe  Fe258  1  0.097952  0.983508  0.133156  1
  Fe  Fe259  1  0.097419  0.984895  0.465059  1
  Fe  Fe260  1  0.097974  0.984036  0.799530  1
  Fe  Fe261  1  0.348111  0.316939  0.133149  1
  Fe  Fe262  1  0.347905  0.316927  0.466441  1
  Fe  Fe263  1  0.347960  0.317040  0.799718  1
  Fe  Fe264  1  0.348137  0.650417  0.133003  1
  Fe  Fe265  1  0.347791  0.650823  0.466401  1
  Fe  Fe266  1  0.347983  0.650471  0.799766  1
  Fe  Fe267  1  0.348206  0.983783  0.133069  1
  Fe  Fe268  1  0.347694  0.984126  0.466268  1
  Fe  Fe269  1  0.348028  0.983973  0.799655  1
  Fe  Fe270  1  0.598087  0.317160  0.133165  1
  Fe  Fe271  1  0.597858  0.317357  0.466392  1
  Fe  Fe272  1  0.597977  0.317186  0.799785  1
  Fe  Fe273  1  0.598137  0.650490  0.133044  1
  Fe  Fe274  1  0.597848  0.650590  0.466356  1
  Fe  Fe275  1  0.598028  0.650458  0.799821  1
  Fe  Fe276  1  0.598426  0.983842  0.133324  1
  Fe  Fe277  1  0.597658  0.983805  0.466626  1
  Fe  Fe278  1  0.598005  0.983817  0.799754  1
  Fe  Fe279  1  0.848173  0.316676  0.133358  1
  Fe  Fe280  1  0.847856  0.317804  0.466198  1
  Fe  Fe281  1  0.847975  0.317199  0.799764  1
  Fe  Fe282  1  0.848182  0.650522  0.133110  1
  Fe  Fe283  1  0.848143  0.650408  0.466540  1
  Fe  Fe284  1  0.848030  0.650428  0.799855  1
  Fe  Fe285  1  0.848496  0.984047  0.133367  1
  Fe  Fe286  1  0.847291  0.983471  0.467548  1
  Fe  Fe287  1  0.847945  0.983915  0.799728  1
  Fe  Fe288  1  0.132739  0.150575  0.016705  1
  Fe  Fe289  1  0.133641  0.151081  0.349820  1
  Fe  Fe290  1  0.132587  0.150473  0.682850  1
  Fe  Fe291  1  0.132678  0.483619  0.016138  1
  Fe  Fe292  1  0.132945  0.484363  0.349709  1
  Fe  Fe293  1  0.132739  0.483563  0.682775  1
  Fe  Fe294  1  0.132800  0.817091  0.015927  1
  Fe  Fe295  1  0.133334  0.818000  0.349826  1
  Fe  Fe296  1  0.132610  0.817503  0.682899  1
  Fe  Fe297  1  0.382754  0.150514  0.016365  1
  Fe  Fe298  1  0.383118  0.150669  0.349708  1
  Fe  Fe299  1  0.382667  0.150490  0.682889  1
  Fe  Fe300  1  0.382713  0.483756  0.016186  1
  Fe  Fe301  1  0.382733  0.484132  0.349616  1
  Fe  Fe302  1  0.382563  0.483797  0.682812  1
  Fe  Fe303  1  0.382792  0.817106  0.016077  1
  Fe  Fe304  1  0.383289  0.817473  0.349838  1
  Fe  Fe305  1  0.382651  0.817281  0.682940  1
  Fe  Fe306  1  0.632738  0.150537  0.016374  1
  Fe  Fe307  1  0.633036  0.151223  0.349754  1
  Fe  Fe308  1  0.632603  0.150540  0.682890  1
  Fe  Fe309  1  0.632753  0.483736  0.016242  1
  Fe  Fe310  1  0.632781  0.484315  0.349772  1
  Fe  Fe311  1  0.632636  0.483976  0.683020  1
  Fe  Fe312  1  0.632796  0.817211  0.016205  1
  Fe  Fe313  1  0.633184  0.817385  0.349644  1
  Fe  Fe314  1  0.632664  0.817065  0.682957  1
  Fe  Fe315  1  0.882757  0.150489  0.016511  1
  Fe  Fe316  1  0.883356  0.153067  0.350682  1
  Fe  Fe317  1  0.882606  0.150642  0.682965  1
  Fe  Fe318  1  0.882737  0.483620  0.016209  1
  Fe  Fe319  1  0.882908  0.484871  0.350041  1
  Fe  Fe320  1  0.882803  0.483890  0.683027  1
  Fe  Fe321  1  0.882808  0.817163  0.016295  1
  Fe  Fe322  1  0.883397  0.817611  0.349352  1
  Fe  Fe323  1  0.882619  0.817173  0.682981  1
  Fe  Fe324  1  0.085194  0.236117  0.238366  1
  Fe  Fe325  1  0.085610  0.233557  0.571345  1
  Fe  Fe326  1  0.085703  0.233656  0.904926  1
  Fe  Fe327  1  0.086088  0.567010  0.238159  1
  Fe  Fe328  1  0.085849  0.567406  0.571626  1
  Fe  Fe329  1  0.085845  0.567130  0.904839  1
  Fe  Fe330  1  0.089559  0.894649  0.238211  1
  Fe  Fe331  1  0.085212  0.901124  0.571402  1
  Fe  Fe332  1  0.085745  0.901003  0.904818  1
  Fe  Fe333  1  0.335991  0.233904  0.238225  1
  Fe  Fe334  1  0.335617  0.233889  0.571492  1
  Fe  Fe335  1  0.335705  0.233835  0.904885  1
  Fe  Fe336  1  0.335825  0.567306  0.238125  1
  Fe  Fe337  1  0.335667  0.567485  0.571591  1
  Fe  Fe338  1  0.335716  0.567189  0.904832  1
  Fe  Fe339  1  0.336292  0.900085  0.238152  1
  Fe  Fe340  1  0.335665  0.900833  0.571606  1
  Fe  Fe341  1  0.335738  0.900907  0.904856  1
  Fe  Fe342  1  0.586001  0.233986  0.238272  1
  Fe  Fe343  1  0.585503  0.234321  0.571551  1
  Fe  Fe344  1  0.585749  0.233938  0.904923  1
  Fe  Fe345  1  0.585752  0.567308  0.238215  1
  Fe  Fe346  1  0.585533  0.567476  0.571664  1
  Fe  Fe347  1  0.585753  0.567385  0.904939  1
  Fe  Fe348  1  0.586416  0.900045  0.238237  1
  Fe  Fe349  1  0.585803  0.900411  0.571607  1
  Fe  Fe350  1  0.585749  0.900786  0.904907  1
  Fe  Fe351  1  0.835672  0.235031  0.238374  1
  Fe  Fe352  1  0.835238  0.234984  0.571774  1
  Fe  Fe353  1  0.835720  0.233917  0.905010  1
  Fe  Fe354  1  0.835751  0.567262  0.238245  1
  Fe  Fe355  1  0.835743  0.567536  0.571783  1
  Fe  Fe356  1  0.835870  0.567298  0.904963  1
  Fe  Fe357  1  0.836670  0.900723  0.238311  1
  Fe  Fe358  1  0.835933  0.899838  0.571580  1
  Fe  Fe359  1  0.835636  0.900843  0.904975  1
  Fe  Fe360  1  0.078589  0.307063  0.020668  1
  Fe  Fe361  1  0.078646  0.308562  0.353843  1
  Fe  Fe362  1  0.078473  0.307218  0.686847  1
  Fe  Fe363  1  0.078645  0.640623  0.020135  1
  Fe  Fe364  1  0.078353  0.641154  0.353696  1
  Fe  Fe365  1  0.078636  0.640717  0.686827  1
  Fe  Fe366  1  0.078661  0.974123  0.020187  1
  Fe  Fe367  1  0.074854  0.979964  0.348329  1
  Fe  Fe368  1  0.078449  0.974463  0.686754  1
  Fe  Fe369  1  0.328524  0.307345  0.020240  1
  Fe  Fe370  1  0.328659  0.307371  0.353615  1
  Fe  Fe371  1  0.328523  0.307019  0.686734  1
  Fe  Fe372  1  0.328638  0.640580  0.020057  1
  Fe  Fe373  1  0.328297  0.641396  0.353595  1
  Fe  Fe374  1  0.328464  0.640805  0.686822  1
  Fe  Fe375  1  0.328644  0.974063  0.020097  1
  Fe  Fe376  1  0.328226  0.974457  0.353536  1
  Fe  Fe377  1  0.328455  0.974407  0.686825  1
  Fe  Fe378  1  0.578549  0.307448  0.020264  1
  Fe  Fe379  1  0.578533  0.307864  0.353569  1
  Fe  Fe380  1  0.578472  0.307482  0.686854  1
  Fe  Fe381  1  0.578679  0.640670  0.020112  1
  Fe  Fe382  1  0.578416  0.641032  0.353589  1
  Fe  Fe383  1  0.578482  0.640769  0.686922  1
  Fe  Fe384  1  0.578663  0.974070  0.020221  1
  Fe  Fe385  1  0.578095  0.974237  0.353833  1
  Fe  Fe386  1  0.578511  0.974025  0.686874  1
  Fe  Fe387  1  0.828613  0.307193  0.020531  1
  Fe  Fe388  1  0.828632  0.308598  0.353541  1
  Fe  Fe389  1  0.828494  0.307688  0.686960  1
  Fe  Fe390  1  0.828653  0.640662  0.020165  1
  Fe  Fe391  1  0.828360  0.641002  0.353758  1
  Fe  Fe392  1  0.828616  0.640634  0.686925  1
  Fe  Fe393  1  0.828682  0.974165  0.020329  1
  Fe  Fe394  1  0.826438  0.974399  0.354701  1
  Fe  Fe395  1  0.828420  0.974032  0.686845  1
  Fe  Fe396  1  0.146237  0.069295  0.244139  1
  Fe  Fe397  1  0.144897  0.067128  0.577417  1
  Fe  Fe398  1  0.145211  0.067511  0.911053  1
  Fe  Fe399  1  0.145451  0.401109  0.244405  1
  Fe  Fe400  1  0.144806  0.400213  0.577705  1
  Fe  Fe401  1  0.144833  0.400154  0.911091  1
  Fe  Fe402  1  0.144721  0.733107  0.244320  1
  Fe  Fe403  1  0.144765  0.734620  0.577742  1
  Fe  Fe404  1  0.144936  0.734019  0.910991  1
  Fe  Fe405  1  0.394893  0.067000  0.244347  1
  Fe  Fe406  1  0.394818  0.067124  0.577682  1
  Fe  Fe407  1  0.395141  0.067419  0.911093  1
  Fe  Fe408  1  0.395022  0.400799  0.244397  1
  Fe  Fe409  1  0.394776  0.400660  0.577755  1
  Fe  Fe410  1  0.394890  0.400497  0.911078  1
  Fe  Fe411  1  0.395005  0.733763  0.244337  1
  Fe  Fe412  1  0.394916  0.734138  0.577787  1
  Fe  Fe413  1  0.394930  0.734036  0.911054  1
  Fe  Fe414  1  0.644685  0.066968  0.244414  1
  Fe  Fe415  1  0.644771  0.067326  0.577754  1
  Fe  Fe416  1  0.645106  0.067351  0.911189  1
  Fe  Fe417  1  0.645048  0.400927  0.244337  1
  Fe  Fe418  1  0.644887  0.400980  0.577844  1
  Fe  Fe419  1  0.644944  0.400575  0.911198  1
  Fe  Fe420  1  0.644944  0.733716  0.244358  1
  Fe  Fe421  1  0.644992  0.733806  0.577808  1
  Fe  Fe422  1  0.645056  0.734104  0.911106  1
  Fe  Fe423  1  0.901573  0.073829  0.245293  1
  Fe  Fe424  1  0.894509  0.067672  0.577797  1
  Fe  Fe425  1  0.895092  0.067373  0.911159  1
  Fe  Fe426  1  0.895342  0.401422  0.244327  1
  Fe  Fe427  1  0.895137  0.400719  0.577768  1
  Fe  Fe428  1  0.894954  0.400236  0.911209  1
  Fe  Fe429  1  0.894687  0.733210  0.244412  1
  Fe  Fe430  1  0.895079  0.733831  0.577855  1
  Fe  Fe431  1  0.895028  0.734100  0.911122  1
  C  C432  1  0.167856  0.030533  -0.002101  1
  C  C433  1  0.167471  0.030479  0.330857  1
  C  C434  1  0.167772  0.030397  0.664270  1
  C  C435  1  0.167698  0.363346  -0.002073  1
  C  C436  1  0.168052  0.364202  0.331277  1
  C  C437  1  0.167772  0.363313  0.664498  1
  C  C438  1  0.167880  0.696843  -0.002271  1
  C  C439  1  0.167589  0.697437  0.331388  1
  C  C440  1  0.167723  0.697346  0.664461  1
  C  C441  1  0.417905  0.030383  -0.002099  1
  C  C442  1  0.417648  0.030256  0.331217  1
  C  C443  1  0.417821  0.030342  0.664492  1
  C  C444  1  0.417781  0.363540  -0.002125  1
  C  C445  1  0.417775  0.363921  0.331241  1
  C  C446  1  0.417681  0.363595  0.664526  1
  C  C447  1  0.417883  0.696890  -0.002204  1
  C  C448  1  0.417749  0.697067  0.331220  1
  C  C449  1  0.417728  0.697081  0.664580  1
  C  C450  1  0.667917  0.030390  -0.001995  1
  C  C451  1  0.667250  0.030620  0.331410  1
  C  C452  1  0.667722  0.030358  0.664538  1
  C  C453  1  0.667871  0.363529  -0.002032  1
  C  C454  1  0.667760  0.364138  0.331206  1
  C  C455  1  0.667718  0.363798  0.664605  1
  C  C456  1  0.667916  0.697024  -0.002118  1
  C  C457  1  0.667766  0.696972  0.331213  1
  C  C458  1  0.667794  0.696880  0.664631  1
  C  C459  1  0.917927  0.030391  -0.002035  1
  C  C460  1  0.915321  0.031458  0.332406  1
  C  C461  1  0.917599  0.030437  0.664491  1
  C  C462  1  0.917836  0.363373  -0.001969  1
  C  C463  1  0.917919  0.364787  0.331257  1
  C  C464  1  0.917825  0.363690  0.664594  1
  C  C465  1  0.917890  0.696979  -0.002109  1
  C  C466  1  0.917696  0.696933  0.331325  1
  C  C467  1  0.917846  0.697019  0.664707  1
  C  C468  1  0.043693  0.196052  0.318507  1
  C  C469  1  0.042687  0.195273  0.651293  1
  C  C470  1  0.042898  0.195212  0.984886  1
  C  C471  1  0.043016  0.529002  0.318106  1
  C  C472  1  0.042845  0.528679  0.651427  1
  C  C473  1  0.042802  0.528645  0.984681  1
  C  C474  1  0.043488  0.862793  0.318153  1
  C  C475  1  0.042696  0.862365  0.651413  1
  C  C476  1  0.042868  0.862171  0.984648  1
  C  C477  1  0.293166  0.195241  0.318118  1
  C  C478  1  0.292699  0.195020  0.651295  1
  C  C479  1  0.292847  0.195275  0.984792  1
  C  C480  1  0.292894  0.529207  0.318111  1
  C  C481  1  0.292658  0.528789  0.651396  1
  C  C482  1  0.292785  0.528552  0.984688  1
  C  C483  1  0.293361  0.861948  0.318128  1
  C  C484  1  0.292762  0.862273  0.651491  1
  C  C485  1  0.292862  0.862029  0.984675  1
  C  C486  1  0.543033  0.195663  0.318185  1
  C  C487  1  0.542705  0.195456  0.651409  1
  C  C488  1  0.542853  0.195390  0.984814  1
  C  C489  1  0.542849  0.528905  0.318141  1
  C  C490  1  0.542690  0.528724  0.651530  1
  C  C491  1  0.542839  0.528618  0.984770  1
  C  C492  1  0.543206  0.861951  0.318100  1
  C  C493  1  0.542768  0.861969  0.651462  1
  C  C494  1  0.542863  0.862069  0.984762  1
  C  C495  1  0.793268  0.196168  0.318402  1
  C  C496  1  0.792675  0.195628  0.651612  1
  C  C497  1  0.792873  0.195271  0.984900  1
  C  C498  1  0.792896  0.528891  0.318200  1
  C  C499  1  0.792825  0.528569  0.651563  1
  C  C500  1  0.792848  0.528628  0.984768  1
  C  C501  1  0.793290  0.861938  0.317933  1
  C  C502  1  0.792686  0.861946  0.651474  1
  C  C503  1  0.792892  0.862141  0.984899  1
  C  C504  1  0.062588  0.196373  0.152120  1
  C  C505  1  0.062655  0.196860  0.484501  1
  C  C506  1  0.062856  0.196841  0.818088  1
  C  C507  1  0.062967  0.530188  0.151381  1
  C  C508  1  0.062960  0.530351  0.484852  1
  C  C509  1  0.062988  0.530172  0.818036  1
  C  C510  1  0.063155  0.863073  0.151169  1
  C  C511  1  0.062823  0.864784  0.484364  1
  C  C512  1  0.062857  0.863908  0.818051  1
  C  C513  1  0.312822  0.196839  0.151513  1
  C  C514  1  0.312717  0.196755  0.484735  1
  C  C515  1  0.312868  0.196850  0.818082  1
  C  C516  1  0.312917  0.530279  0.151346  1
  C  C517  1  0.312803  0.530588  0.484777  1
  C  C518  1  0.312877  0.530252  0.818018  1
  C  C519  1  0.313167  0.863535  0.151320  1
  C  C520  1  0.312878  0.863862  0.484792  1
  C  C521  1  0.312863  0.863840  0.818081  1
  C  C522  1  0.562908  0.197009  0.151523  1
  C  C523  1  0.562654  0.197223  0.484775  1
  C  C524  1  0.562892  0.196984  0.818118  1
  C  C525  1  0.562943  0.530346  0.151401  1
  C  C526  1  0.562689  0.530480  0.484866  1
  C  C527  1  0.562872  0.530293  0.818170  1
  C  C528  1  0.563160  0.863647  0.151401  1
  C  C529  1  0.562871  0.863422  0.484827  1
  C  C530  1  0.562871  0.863654  0.818145  1
  C  C531  1  0.812860  0.196628  0.151876  1
  C  C532  1  0.812341  0.197958  0.484997  1
  C  C533  1  0.812851  0.197045  0.818190  1
  C  C534  1  0.812951  0.530378  0.151412  1
  C  C535  1  0.812753  0.530409  0.485047  1
  C  C536  1  0.812965  0.530216  0.818198  1
  C  C537  1  0.813253  0.863892  0.151601  1
  C  C538  1  0.812721  0.862734  0.484883  1
  C  C539  1  0.812839  0.863759  0.818183  1
  C  C540  1  0.188055  0.361882  0.164548  1
  C  C541  1  0.187895  0.361890  0.497841  1
  C  C542  1  0.187890  0.361822  0.831215  1
  C  C543  1  0.188060  0.695316  0.164442  1
  C  C544  1  0.187707  0.695953  0.497898  1
  C  C545  1  0.187880  0.695444  0.831126  1
  C  C546  1  0.187981  1.028347  0.164366  1
  C  C547  1  0.187401  1.028338  0.497406  1
  C  C548  1  0.187887  1.028771  0.831109  1
  C  C549  1  0.437972  0.362063  0.164572  1
  C  C550  1  0.437728  0.362157  0.497876  1
  C  C551  1  0.437857  0.361933  0.831221  1
  C  C552  1  0.438034  0.695362  0.164470  1
  C  C553  1  0.437758  0.695501  0.497892  1
  C  C554  1  0.437896  0.695377  0.831222  1
  C  C555  1  0.438115  1.028674  0.164546  1
  C  C556  1  0.437709  1.028611  0.497779  1
  C  C557  1  0.437946  1.028757  0.831188  1
  C  C558  1  0.688037  0.362010  0.164576  1
  C  C559  1  0.687684  0.362481  0.497898  1
  C  C560  1  0.687877  0.362022  0.831324  1
  C  C561  1  0.688055  0.695359  0.164516  1
  C  C562  1  0.687818  0.695181  0.497902  1
  C  C563  1  0.687948  0.695362  0.831260  1
  C  C564  1  0.688322  1.028881  0.164738  1
  C  C565  1  0.687662  1.028679  0.497882  1
  C  C566  1  0.687896  1.028708  0.831271  1
  C  C567  1  0.938050  0.362071  0.164550  1
  C  C568  1  0.937874  0.362147  0.497808  1
  C  C569  1  0.937920  0.361891  0.831296  1
  C  C570  1  0.938117  0.695302  0.164605  1
  C  C571  1  0.938033  0.695468  0.497944  1
  C  C572  1  0.937925  0.695482  0.831247  1
  C  C573  1  0.938474  1.029065  0.164574  1
  C  C574  1  0.937470  1.028834  0.498007  1
  C  C575  1  0.937845  1.028842  0.831198  1
