# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.70353851
_cell_length_b   15.85704061
_cell_length_c   50.96962928
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.28030476
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe540 C216'
_cell_volume   13239.4602686
_cell_formula_units_Z   108
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  0.635489  0.626711  0.319758  1
  Fe  Fe2  1  0.248035  0.630098  0.345259  1
  Fe  Fe3  1  0.302156  0.293378  0.319758  1
  Fe  Fe4  1  0.020915  0.623138  0.294570  1
  Fe  Fe5  1  0.914702  0.296765  0.345259  1
  Fe  Fe6  1  0.968823  0.960044  0.319758  1
  Fe  Fe7  1  0.687581  0.289805  0.294570  1
  Fe  Fe8  1  0.581368  0.963431  0.345259  1
  Fe  Fe9  1  0.354248  0.956471  0.294570  1
  Fe  Fe10  1  0.460724  0.505726  0.272029  1
  Fe  Fe11  1  0.071503  0.493858  0.294743  1
  Fe  Fe12  1  0.127391  0.172393  0.272029  1
  Fe  Fe13  1  0.684242  0.500748  0.320834  1
  Fe  Fe14  1  0.738170  0.160524  0.294743  1
  Fe  Fe15  1  0.794057  0.839059  0.272029  1
  Fe  Fe16  1  0.350908  0.167414  0.320834  1
  Fe  Fe17  1  0.404836  0.827191  0.294743  1
  Fe  Fe18  1  0.017575  0.834081  0.320834  1
  Fe  Fe19  1  0.442113  0.702945  0.306585  1
  Fe  Fe20  1  0.054443  0.707731  0.332887  1
  Fe  Fe21  1  0.108779  0.369612  0.306585  1
  Fe  Fe22  1  0.829219  0.702799  0.281269  1
  Fe  Fe23  1  0.721110  0.374398  0.332887  1
  Fe  Fe24  1  0.775446  0.036278  0.306585  1
  Fe  Fe25  1  0.495886  0.369465  0.281269  1
  Fe  Fe26  1  0.387776  0.041065  0.332887  1
  Fe  Fe27  1  0.162553  0.036132  0.281269  1
  Fe  Fe28  1  0.687305  0.707674  0.272919  1
  Fe  Fe29  1  0.292146  0.703735  0.298579  1
  Fe  Fe30  1  0.353972  0.374340  0.272919  1
  Fe  Fe31  1  0.906511  0.708008  0.324517  1
  Fe  Fe32  1  0.958812  0.370402  0.298579  1
  Fe  Fe33  1  0.020638  0.041007  0.272919  1
  Fe  Fe34  1  0.573178  0.374674  0.324517  1
  Fe  Fe35  1  0.625479  0.037069  0.298579  1
  Fe  Fe36  1  0.239844  0.041341  0.324517  1
  Fe  Fe37  1  0.414502  0.420807  0.317417  1
  Fe  Fe38  1  0.025122  0.424549  0.342256  1
  Fe  Fe39  1  0.081169  0.087474  0.317417  1
  Fe  Fe40  1  0.801054  0.416071  0.291211  1
  Fe  Fe41  1  0.691789  0.091216  0.342256  1
  Fe  Fe42  1  0.747835  0.754140  0.317417  1
  Fe  Fe43  1  0.467721  0.082738  0.291211  1
  Fe  Fe44  1  0.358456  0.757883  0.342256  1
  Fe  Fe45  1  0.134387  0.749405  0.291211  1
  Fe  Fe46  1  0.548569  0.629339  0.282005  1
  Fe  Fe47  1  0.159685  0.623964  0.308163  1
  Fe  Fe48  1  0.215236  0.296005  0.282005  1
  Fe  Fe49  1  0.771631  0.628888  0.333803  1
  Fe  Fe50  1  0.826352  0.290631  0.308163  1
  Fe  Fe51  1  0.881902  0.962672  0.282005  1
  Fe  Fe52  1  0.438298  0.295554  0.333803  1
  Fe  Fe53  1  0.493019  0.957297  0.308163  1
  Fe  Fe54  1  0.104964  0.962221  0.333803  1
  Fe  Fe55  1  0.669802  0.562677  0.273031  1
  Fe  Fe56  1  0.290386  0.560625  0.297414  1
  Fe  Fe57  1  0.336469  0.229344  0.273031  1
  Fe  Fe58  1  0.904755  0.564109  0.322690  1
  Fe  Fe59  1  0.957053  0.227292  0.297414  1
  Fe  Fe60  1  0.003135  0.896010  0.273031  1
  Fe  Fe61  1  0.571422  0.230775  0.322690  1
  Fe  Fe62  1  0.623719  0.893959  0.297414  1
  Fe  Fe63  1  0.238089  0.897442  0.322690  1
  Fe  Fe64  1  0.546681  0.498294  0.307818  1
  Fe  Fe65  1  0.159129  0.500974  0.332889  1
  Fe  Fe66  1  0.213348  0.164960  0.307818  1
  Fe  Fe67  1  0.935277  0.499388  0.281148  1
  Fe  Fe68  1  0.825795  0.167641  0.332889  1
  Fe  Fe69  1  0.880015  0.831627  0.307818  1
  Fe  Fe70  1  0.601944  0.166054  0.281148  1
  Fe  Fe71  1  0.492462  0.834307  0.332889  1
  Fe  Fe72  1  0.268610  0.832721  0.281148  1
  Fe  Fe73  1  0.650244  0.416770  0.281950  1
  Fe  Fe74  1  0.264909  0.419490  0.309325  1
  Fe  Fe75  1  0.316910  0.083437  0.281950  1
  Fe  Fe76  1  0.878317  0.423272  0.333316  1
  Fe  Fe77  1  0.931575  0.086156  0.309325  1
  Fe  Fe78  1  0.983577  0.750103  0.281950  1
  Fe  Fe79  1  0.544983  0.089939  0.333316  1
  Fe  Fe80  1  0.598242  0.752823  0.309325  1
  Fe  Fe81  1  0.211650  0.756605  0.333316  1
  Fe  Fe82  1  0.415293  0.563481  0.318537  1
  Fe  Fe83  1  0.027667  0.566487  0.343680  1
  Fe  Fe84  1  0.081959  0.230147  0.318537  1
  Fe  Fe85  1  0.801819  0.560585  0.292786  1
  Fe  Fe86  1  0.694333  0.233154  0.343680  1
  Fe  Fe87  1  0.748626  0.896814  0.318537  1
  Fe  Fe88  1  0.468486  0.227252  0.292786  1
  Fe  Fe89  1  0.361000  0.899821  0.343680  1
  Fe  Fe90  1  0.135153  0.893919  0.292786  1
  Fe  Fe91  1  0.472903  0.636993  0.396619  1
  Fe  Fe92  1  0.085903  0.640931  0.422378  1
  Fe  Fe93  1  0.139570  0.303660  0.396619  1
  Fe  Fe94  1  0.860694  0.634194  0.371226  1
  Fe  Fe95  1  0.752570  0.307598  0.422378  1
  Fe  Fe96  1  0.806236  0.970327  0.396619  1
  Fe  Fe97  1  0.527360  0.300860  0.371226  1
  Fe  Fe98  1  0.419236  0.974264  0.422378  1
  Fe  Fe99  1  0.194027  0.967527  0.371226  1
  Fe  Fe100  1  0.297898  0.505605  0.347308  1
  Fe  Fe101  1  0.909540  0.507084  0.372183  1
  Fe  Fe102  1  0.964564  0.172272  0.347308  1
  Fe  Fe103  1  0.522746  0.511501  0.398424  1
  Fe  Fe104  1  0.576207  0.173750  0.372183  1
  Fe  Fe105  1  0.631231  0.838938  0.347308  1
  Fe  Fe106  1  0.189413  0.178168  0.398424  1
  Fe  Fe107  1  0.242873  0.840417  0.372183  1
  Fe  Fe108  1  0.856079  0.844835  0.398424  1
  Fe  Fe109  1  0.279718  0.715063  0.384068  1
  Fe  Fe110  1  0.892555  0.718686  0.409958  1
  Fe  Fe111  1  0.946385  0.381729  0.384068  1
  Fe  Fe112  1  0.667296  0.711679  0.358555  1
  Fe  Fe113  1  0.559222  0.385353  0.409958  1
  Fe  Fe114  1  0.613051  0.048396  0.384068  1
  Fe  Fe115  1  0.333963  0.378346  0.358555  1
  Fe  Fe116  1  0.225889  0.052019  0.409958  1
  Fe  Fe117  1  0.000629  0.045012  0.358555  1
  Fe  Fe118  1  0.519325  0.709805  0.349547  1
  Fe  Fe119  1  0.132150  0.714053  0.375269  1
  Fe  Fe120  1  0.185992  0.376471  0.349547  1
  Fe  Fe121  1  0.744763  0.717640  0.401088  1
  Fe  Fe122  1  0.798816  0.380720  0.375269  1
  Fe  Fe123  1  0.852659  0.043138  0.349547  1
  Fe  Fe124  1  0.411430  0.384307  0.401088  1
  Fe  Fe125  1  0.465483  0.047387  0.375269  1
  Fe  Fe126  1  0.078097  0.050974  0.401088  1
  Fe  Fe127  1  0.250855  0.431005  0.393908  1
  Fe  Fe128  1  0.863453  0.434536  0.419491  1
  Fe  Fe129  1  0.917522  0.097671  0.393908  1
  Fe  Fe130  1  0.639059  0.427140  0.368427  1
  Fe  Fe131  1  0.530119  0.101202  0.419491  1
  Fe  Fe132  1  0.584189  0.764338  0.393908  1
  Fe  Fe133  1  0.305725  0.093807  0.368427  1
  Fe  Fe134  1  0.196786  0.767869  0.419491  1
  Fe  Fe135  1  0.972392  0.760474  0.368427  1
  Fe  Fe136  1  0.385204  0.633980  0.359180  1
  Fe  Fe137  1  0.997756  0.636079  0.385141  1
  Fe  Fe138  1  0.051871  0.300647  0.359180  1
  Fe  Fe139  1  0.610587  0.640143  0.410745  1
  Fe  Fe140  1  0.664422  0.302746  0.385141  1
  Fe  Fe141  1  0.718537  0.967313  0.359180  1
  Fe  Fe142  1  0.277254  0.306810  0.410745  1
  Fe  Fe143  1  0.331089  0.969413  0.385141  1
  Fe  Fe144  1  0.943920  0.973477  0.410745  1
  Fe  Fe145  1  0.517756  0.567946  0.348564  1
  Fe  Fe146  1  0.129937  0.571256  0.373972  1
  Fe  Fe147  1  0.184422  0.234613  0.348564  1
  Fe  Fe148  1  0.742846  0.574996  0.399743  1
  Fe  Fe149  1  0.796603  0.237922  0.373972  1
  Fe  Fe150  1  0.851089  0.901280  0.348564  1
  Fe  Fe151  1  0.409512  0.241662  0.399743  1
  Fe  Fe152  1  0.463270  0.904589  0.373972  1
  Fe  Fe153  1  0.076179  0.908329  0.399743  1
  Fe  Fe154  1  0.384562  0.508588  0.384451  1
  Fe  Fe155  1  0.997836  0.512043  0.409658  1
  Fe  Fe156  1  0.051228  0.175255  0.384451  1
  Fe  Fe157  1  0.773356  0.505388  0.358352  1
  Fe  Fe158  1  0.664503  0.178710  0.409658  1
  Fe  Fe159  1  0.717895  0.841922  0.384451  1
  Fe  Fe160  1  0.440022  0.172055  0.358352  1
  Fe  Fe161  1  0.331169  0.845377  0.409658  1
  Fe  Fe162  1  0.106689  0.838722  0.358352  1
  Fe  Fe163  1  0.491242  0.426961  0.359469  1
  Fe  Fe164  1  0.102744  0.429799  0.385062  1
  Fe  Fe165  1  0.157908  0.093628  0.359469  1
  Fe  Fe166  1  0.716089  0.433507  0.410630  1
  Fe  Fe167  1  0.769411  0.096466  0.385062  1
  Fe  Fe168  1  0.824575  0.760295  0.359469  1
  Fe  Fe169  1  0.382756  0.100174  0.410630  1
  Fe  Fe170  1  0.436077  0.763133  0.385062  1
  Fe  Fe171  1  0.049423  0.766841  0.410630  1
  Fe  Fe172  1  0.252861  0.573492  0.395095  1
  Fe  Fe173  1  0.865693  0.577329  0.420768  1
  Fe  Fe174  1  0.919527  0.240159  0.395095  1
  Fe  Fe175  1  0.640872  0.570671  0.369657  1
  Fe  Fe176  1  0.532359  0.243996  0.420768  1
  Fe  Fe177  1  0.586194  0.906825  0.395095  1
  Fe  Fe178  1  0.307538  0.237338  0.369657  1
  Fe  Fe179  1  0.199026  0.910663  0.420768  1
  Fe  Fe180  1  0.974205  0.904005  0.369657  1
  Fe  Fe181  1  0.310891  0.647942  0.473612  1
  Fe  Fe182  1  0.923583  0.651762  0.499370  1
  Fe  Fe183  1  0.977557  0.314609  0.473612  1
  Fe  Fe184  1  0.698316  0.644616  0.448050  1
  Fe  Fe185  1  0.590250  0.318428  0.499370  1
  Fe  Fe186  1  0.644224  0.981276  0.473612  1
  Fe  Fe187  1  0.364982  0.311283  0.448050  1
  Fe  Fe188  1  0.256916  0.985095  0.499370  1
  Fe  Fe189  1  0.031649  0.977950  0.448050  1
  Fe  Fe190  1  0.134913  0.514678  0.423702  1
  Fe  Fe191  1  0.747621  0.518218  0.449456  1
  Fe  Fe192  1  0.801579  0.181344  0.423702  1
  Fe  Fe193  1  0.360243  0.521952  0.475140  1
  Fe  Fe194  1  0.414288  0.184885  0.449456  1
  Fe  Fe195  1  0.468246  0.848011  0.423702  1
  Fe  Fe196  1  0.026909  0.188619  0.475140  1
  Fe  Fe197  1  0.080955  0.851552  0.449456  1
  Fe  Fe198  1  0.693576  0.855285  0.475140  1
  Fe  Fe199  1  0.117583  0.725786  0.461168  1
  Fe  Fe200  1  0.730250  0.729298  0.486798  1
  Fe  Fe201  1  0.784250  0.392452  0.461168  1
  Fe  Fe202  1  0.504954  0.722026  0.435378  1
  Fe  Fe203  1  0.396917  0.395965  0.486798  1
  Fe  Fe204  1  0.450917  0.059119  0.461168  1
  Fe  Fe205  1  0.171620  0.388693  0.435378  1
  Fe  Fe206  1  0.063584  0.062631  0.486798  1
  Fe  Fe207  1  0.838287  0.055359  0.435378  1
  Fe  Fe208  1  0.357345  0.720934  0.426470  1
  Fe  Fe209  1  0.969968  0.724736  0.452309  1
  Fe  Fe210  1  0.024011  0.387600  0.426470  1
  Fe  Fe211  1  0.582367  0.728223  0.477924  1
  Fe  Fe212  1  0.636635  0.391402  0.452309  1
  Fe  Fe213  1  0.690678  0.054267  0.426470  1
  Fe  Fe214  1  0.249034  0.394890  0.477924  1
  Fe  Fe215  1  0.303301  0.058069  0.452309  1
  Fe  Fe216  1  0.915701  0.061556  0.477924  1
  Fe  Fe217  1  0.088589  0.441659  0.470765  1
  Fe  Fe218  1  0.701241  0.445195  0.496544  1
  Fe  Fe219  1  0.755256  0.108326  0.470765  1
  Fe  Fe220  1  0.476355  0.437941  0.445313  1
  Fe  Fe221  1  0.367907  0.111862  0.496544  1
  Fe  Fe222  1  0.421923  0.774992  0.470765  1
  Fe  Fe223  1  0.143022  0.104608  0.445313  1
  Fe  Fe224  1  0.034574  0.778529  0.496544  1
  Fe  Fe225  1  0.809689  0.771274  0.445313  1
  Fe  Fe226  1  0.222968  0.643620  0.436329  1
  Fe  Fe227  1  0.835675  0.646972  0.462111  1
  Fe  Fe228  1  0.889634  0.310287  0.436329  1
  Fe  Fe229  1  0.448162  0.650749  0.487610  1
  Fe  Fe230  1  0.502341  0.313638  0.462111  1
  Fe  Fe231  1  0.556301  0.976954  0.436329  1
  Fe  Fe232  1  0.114829  0.317415  0.487610  1
  Fe  Fe233  1  0.169008  0.980305  0.462111  1
  Fe  Fe234  1  0.781496  0.984082  0.487610  1
  Fe  Fe235  1  0.355171  0.578495  0.425262  1
  Fe  Fe236  1  0.967776  0.581864  0.451064  1
  Fe  Fe237  1  0.021838  0.245162  0.425262  1
  Fe  Fe238  1  0.580376  0.585572  0.476689  1
  Fe  Fe239  1  0.634443  0.248530  0.451064  1
  Fe  Fe240  1  0.688505  0.911828  0.425262  1
  Fe  Fe241  1  0.247042  0.252239  0.476689  1
  Fe  Fe242  1  0.301110  0.915197  0.451064  1
  Fe  Fe243  1  0.913709  0.918905  0.476689  1
  Fe  Fe244  1  0.222761  0.519161  0.461091  1
  Fe  Fe245  1  0.835552  0.522869  0.486683  1
  Fe  Fe246  1  0.889427  0.185828  0.461091  1
  Fe  Fe247  1  0.610493  0.515794  0.435488  1
  Fe  Fe248  1  0.502219  0.189535  0.486683  1
  Fe  Fe249  1  0.556094  0.852494  0.461091  1
  Fe  Fe250  1  0.277160  0.182460  0.435488  1
  Fe  Fe251  1  0.168886  0.856202  0.486683  1
  Fe  Fe252  1  0.943827  0.849127  0.435488  1
  Fe  Fe253  1  0.328225  0.437136  0.436415  1
  Fe  Fe254  1  0.940891  0.440456  0.461920  1
  Fe  Fe255  1  0.994892  0.103802  0.436415  1
  Fe  Fe256  1  0.553593  0.444215  0.487655  1
  Fe  Fe257  1  0.607558  0.107123  0.461920  1
  Fe  Fe258  1  0.661558  0.770469  0.436415  1
  Fe  Fe259  1  0.220260  0.110882  0.487655  1
  Fe  Fe260  1  0.274224  0.773790  0.461920  1
  Fe  Fe261  1  0.886927  0.777549  0.487655  1
  Fe  Fe262  1  0.090719  0.584327  0.472006  1
  Fe  Fe263  1  0.703409  0.588006  0.497765  1
  Fe  Fe264  1  0.757386  0.250994  0.472006  1
  Fe  Fe265  1  0.478250  0.580857  0.446495  1
  Fe  Fe266  1  0.370076  0.254673  0.497765  1
  Fe  Fe267  1  0.424053  0.917661  0.472006  1
  Fe  Fe268  1  0.144916  0.247523  0.446495  1
  Fe  Fe269  1  0.036742  0.921340  0.497765  1
  Fe  Fe270  1  0.811583  0.914190  0.446495  1
  Fe  Fe271  1  0.148618  0.658805  0.550597  1
  Fe  Fe272  1  0.761327  0.662346  0.576351  1
  Fe  Fe273  1  0.815285  0.325472  0.550597  1
  Fe  Fe274  1  0.535997  0.655072  0.524914  1
  Fe  Fe275  1  0.427994  0.329013  0.576351  1
  Fe  Fe276  1  0.481952  0.992139  0.550597  1
  Fe  Fe277  1  0.202664  0.321738  0.524914  1
  Fe  Fe278  1  0.094660  0.995679  0.576351  1
  Fe  Fe279  1  0.869330  0.988405  0.524914  1
  Fe  Fe280  1  0.972657  0.525262  0.500683  1
  Fe  Fe281  1  0.585349  0.529081  0.526441  1
  Fe  Fe282  1  0.639323  0.191929  0.500683  1
  Fe  Fe283  1  0.197924  0.532407  0.552003  1
  Fe  Fe284  1  0.252016  0.195748  0.526441  1
  Fe  Fe285  1  0.305990  0.858595  0.500683  1
  Fe  Fe286  1  0.864591  0.199074  0.552003  1
  Fe  Fe287  1  0.918683  0.862415  0.526441  1
  Fe  Fe288  1  0.531257  0.865741  0.552003  1
  Fe  Fe289  1  0.955349  0.736567  0.538133  1
  Fe  Fe290  1  0.568015  0.739888  0.563638  1
  Fe  Fe291  1  0.622015  0.403234  0.538133  1
  Fe  Fe292  1  0.342646  0.732808  0.512398  1
  Fe  Fe293  1  0.234682  0.406555  0.563638  1
  Fe  Fe294  1  0.288682  0.069901  0.538133  1
  Fe  Fe295  1  0.009313  0.399475  0.512398  1
  Fe  Fe296  1  0.901348  0.073221  0.563638  1
  Fe  Fe297  1  0.675980  0.066142  0.512398  1
  Fe  Fe298  1  0.194999  0.731828  0.503509  1
  Fe  Fe299  1  0.807650  0.735365  0.529288  1
  Fe  Fe300  1  0.861666  0.398495  0.503509  1
  Fe  Fe301  1  0.419884  0.739083  0.554740  1
  Fe  Fe302  1  0.474317  0.402031  0.529288  1
  Fe  Fe303  1  0.528332  0.065162  0.503509  1
  Fe  Fe304  1  0.086551  0.405750  0.554740  1
  Fe  Fe305  1  0.140984  0.068698  0.529288  1
  Fe  Fe306  1  0.753218  0.072416  0.554740  1
  Fe  Fe307  1  0.926272  0.452288  0.547744  1
  Fe  Fe308  1  0.538895  0.456090  0.573584  1
  Fe  Fe309  1  0.592938  0.118955  0.547744  1
  Fe  Fe310  1  0.313872  0.448801  0.522129  1
  Fe  Fe311  1  0.205562  0.122757  0.573584  1
  Fe  Fe312  1  0.259605  0.785622  0.547744  1
  Fe  Fe313  1  0.980539  0.115467  0.522129  1
  Fe  Fe314  1  0.872229  0.789423  0.573584  1
  Fe  Fe315  1  0.647206  0.782134  0.522129  1
  Fe  Fe316  1  0.060687  0.654155  0.513370  1
  Fe  Fe317  1  0.673479  0.657863  0.538962  1
  Fe  Fe318  1  0.727354  0.320822  0.513370  1
  Fe  Fe319  1  0.285747  0.661230  0.564565  1
  Fe  Fe320  1  0.340146  0.324530  0.538962  1
  Fe  Fe321  1  0.394021  0.987488  0.513370  1
  Fe  Fe322  1  0.952413  0.327897  0.564565  1
  Fe  Fe323  1  0.006813  0.991196  0.538962  1
  Fe  Fe324  1  0.619080  0.994563  0.564565  1
  Fe  Fe325  1  0.192831  0.589017  0.502288  1
  Fe  Fe326  1  0.805521  0.592696  0.528047  1
  Fe  Fe327  1  0.859497  0.255684  0.502288  1
  Fe  Fe328  1  0.417990  0.596167  0.553558  1
  Fe  Fe329  1  0.472187  0.259363  0.528047  1
  Fe  Fe330  1  0.526164  0.922351  0.502288  1
  Fe  Fe331  1  0.084657  0.262834  0.553558  1
  Fe  Fe332  1  0.138854  0.926030  0.528047  1
  Fe  Fe333  1  0.751324  0.929501  0.553558  1
  Fe  Fe334  1  0.060565  0.530052  0.537942  1
  Fe  Fe335  1  0.673272  0.533403  0.563725  1
  Fe  Fe336  1  0.727232  0.196719  0.537942  1
  Fe  Fe337  1  0.448077  0.526275  0.512443  1
  Fe  Fe338  1  0.339939  0.200070  0.563725  1
  Fe  Fe339  1  0.393898  0.863385  0.537942  1
  Fe  Fe340  1  0.114744  0.192942  0.512443  1
  Fe  Fe341  1  0.006605  0.866737  0.563725  1
  Fe  Fe342  1  0.781411  0.859609  0.512443  1
  Fe  Fe343  1  0.165990  0.447726  0.513255  1
  Fe  Fe344  1  0.778656  0.451238  0.538885  1
  Fe  Fe345  1  0.832656  0.114392  0.513255  1
  Fe  Fe346  1  0.391286  0.454998  0.564675  1
  Fe  Fe347  1  0.445323  0.117905  0.538885  1
  Fe  Fe348  1  0.499323  0.781059  0.513255  1
  Fe  Fe349  1  0.057953  0.121664  0.564675  1
  Fe  Fe350  1  0.111990  0.784572  0.538885  1
  Fe  Fe351  1  0.724619  0.788331  0.564675  1
  Fe  Fe352  1  0.928463  0.595160  0.548989  1
  Fe  Fe353  1  0.541068  0.598529  0.574791  1
  Fe  Fe354  1  0.595130  0.261827  0.548989  1
  Fe  Fe355  1  0.315864  0.591452  0.523364  1
  Fe  Fe356  1  0.207735  0.265195  0.574791  1
  Fe  Fe357  1  0.261797  0.928493  0.548989  1
  Fe  Fe358  1  0.982531  0.258118  0.523364  1
  Fe  Fe359  1  0.874402  0.931862  0.574791  1
  Fe  Fe360  1  0.649197  0.924785  0.523364  1
  Fe  Fe361  1  0.986700  0.669940  0.627870  1
  Fe  Fe362  1  0.598342  0.671419  0.652745  1
  Fe  Fe363  1  0.653366  0.336607  0.627870  1
  Fe  Fe364  1  0.373494  0.665522  0.601629  1
  Fe  Fe365  1  0.265009  0.338085  0.652745  1
  Fe  Fe366  1  0.320033  0.003273  0.627870  1
  Fe  Fe367  1  0.040160  0.332189  0.601629  1
  Fe  Fe368  1  0.931675  0.004752  0.652745  1
  Fe  Fe369  1  0.706827  0.998856  0.601629  1
  Fe  Fe370  1  0.810337  0.536093  0.577675  1
  Fe  Fe371  1  0.423337  0.540030  0.603434  1
  Fe  Fe372  1  0.477003  0.202759  0.577675  1
  Fe  Fe373  1  0.035546  0.542830  0.628827  1
  Fe  Fe374  1  0.090003  0.206697  0.603434  1
  Fe  Fe375  1  0.143670  0.869426  0.577675  1
  Fe  Fe376  1  0.702213  0.209497  0.628827  1
  Fe  Fe377  1  0.756670  0.873364  0.603434  1
  Fe  Fe378  1  0.368879  0.876163  0.628827  1
  Fe  Fe379  1  0.793496  0.747224  0.614991  1
  Fe  Fe380  1  0.404998  0.750063  0.640584  1
  Fe  Fe381  1  0.460162  0.413891  0.614991  1
  Fe  Fe382  1  0.180150  0.743516  0.589423  1
  Fe  Fe383  1  0.071665  0.416729  0.640584  1
  Fe  Fe384  1  0.126829  0.080558  0.614991  1
  Fe  Fe385  1  0.846817  0.410183  0.589423  1
  Fe  Fe386  1  0.738332  0.083396  0.640584  1
  Fe  Fe387  1  0.513484  0.076850  0.589423  1
  Fe  Fe388  1  0.032787  0.742488  0.580562  1
  Fe  Fe389  1  0.645385  0.746019  0.606145  1
  Fe  Fe390  1  0.699454  0.409155  0.580562  1
  Fe  Fe391  1  0.257181  0.749883  0.631626  1
  Fe  Fe392  1  0.312051  0.412686  0.606145  1
  Fe  Fe393  1  0.366120  0.075821  0.580562  1
  Fe  Fe394  1  0.923848  0.416550  0.631626  1
  Fe  Fe395  1  0.978718  0.079352  0.606145  1
  Fe  Fe396  1  0.590514  0.083217  0.631626  1
  Fe  Fe397  1  0.764090  0.462970  0.624784  1
  Fe  Fe398  1  0.376915  0.467219  0.650506  1
  Fe  Fe399  1  0.430757  0.129637  0.624784  1
  Fe  Fe400  1  0.151477  0.459383  0.598965  1
  Fe  Fe401  1  0.043581  0.133886  0.650506  1
  Fe  Fe402  1  0.097423  0.796304  0.624784  1
  Fe  Fe403  1  0.818143  0.126050  0.598965  1
  Fe  Fe404  1  0.710248  0.800552  0.650506  1
  Fe  Fe405  1  0.484810  0.792717  0.598965  1
  Fe  Fe406  1  0.898404  0.664981  0.590395  1
  Fe  Fe407  1  0.511678  0.668435  0.615602  1
  Fe  Fe408  1  0.565070  0.331647  0.590395  1
  Fe  Fe409  1  0.122884  0.671635  0.641701  1
  Fe  Fe410  1  0.178345  0.335102  0.615602  1
  Fe  Fe411  1  0.231737  0.998314  0.590395  1
  Fe  Fe412  1  0.789551  0.338302  0.641701  1
  Fe  Fe413  1  0.845011  0.001769  0.615602  1
  Fe  Fe414  1  0.456218  0.004969  0.641701  1
  Fe  Fe415  1  0.030547  0.599694  0.579285  1
  Fe  Fe416  1  0.643379  0.603532  0.604958  1
  Fe  Fe417  1  0.697214  0.266361  0.579285  1
  Fe  Fe418  1  0.255368  0.606352  0.630396  1
  Fe  Fe419  1  0.310046  0.270198  0.604958  1
  Fe  Fe420  1  0.363881  0.933028  0.579285  1
  Fe  Fe421  1  0.922035  0.273019  0.630396  1
  Fe  Fe422  1  0.976713  0.936865  0.604958  1
  Fe  Fe423  1  0.588701  0.939686  0.630396  1
  Fe  Fe424  1  0.898484  0.540945  0.614912  1
  Fe  Fe425  1  0.511036  0.543044  0.640873  1
  Fe  Fe426  1  0.565151  0.207611  0.614912  1
  Fe  Fe427  1  0.285653  0.536880  0.589309  1
  Fe  Fe428  1  0.177703  0.209710  0.640873  1
  Fe  Fe429  1  0.231817  0.874278  0.614912  1
  Fe  Fe430  1  0.952319  0.203547  0.589309  1
  Fe  Fe431  1  0.844369  0.876377  0.640873  1
  Fe  Fe432  1  0.618986  0.870214  0.589309  1
  Fe  Fe433  1  0.003685  0.458338  0.590096  1
  Fe  Fe434  1  0.616522  0.461961  0.615985  1
  Fe  Fe435  1  0.670351  0.125005  0.590096  1
  Fe  Fe436  1  0.228944  0.465345  0.641498  1
  Fe  Fe437  1  0.283189  0.128628  0.615985  1
  Fe  Fe438  1  0.337018  0.791671  0.590096  1
  Fe  Fe439  1  0.895610  0.132011  0.641498  1
  Fe  Fe440  1  0.949855  0.795294  0.615985  1
  Fe  Fe441  1  0.562277  0.798678  0.641498  1
  Fe  Fe442  1  0.766303  0.605768  0.626081  1
  Fe  Fe443  1  0.378484  0.609077  0.651489  1
  Fe  Fe444  1  0.432970  0.272435  0.626081  1
  Fe  Fe445  1  0.153394  0.602028  0.600310  1
  Fe  Fe446  1  0.045151  0.275744  0.651489  1
  Fe  Fe447  1  0.099636  0.939101  0.626081  1
  Fe  Fe448  1  0.820061  0.268695  0.600310  1
  Fe  Fe449  1  0.711818  0.942411  0.651489  1
  Fe  Fe450  1  0.486727  0.935362  0.600310  1
  Fe  Fe451  1  0.824737  0.683166  0.705310  1
  Fe  Fe452  1  0.435516  0.671298  0.728024  1
  Fe  Fe453  1  0.491403  0.349833  0.705310  1
  Fe  Fe454  1  0.211998  0.676276  0.679219  1
  Fe  Fe455  1  0.102182  0.337964  0.728024  1
  Fe  Fe456  1  0.158070  0.016499  0.705310  1
  Fe  Fe457  1  0.878665  0.342943  0.679219  1
  Fe  Fe458  1  0.768849  0.004631  0.728024  1
  Fe  Fe459  1  0.545331  0.009609  0.679219  1
  Fe  Fe460  1  0.648205  0.546926  0.654794  1
  Fe  Fe461  1  0.260750  0.550313  0.680295  1
  Fe  Fe462  1  0.314871  0.213592  0.654794  1
  Fe  Fe463  1  0.875325  0.553886  0.705483  1
  Fe  Fe464  1  0.927417  0.216979  0.680295  1
  Fe  Fe465  1  0.981538  0.880259  0.654794  1
  Fe  Fe466  1  0.541992  0.220552  0.705483  1
  Fe  Fe467  1  0.594084  0.883646  0.680295  1
  Fe  Fe468  1  0.208658  0.887219  0.705483  1
  Fe  Fe469  1  0.631331  0.757534  0.690728  1
  Fe  Fe470  1  0.245996  0.760254  0.718103  1
  Fe  Fe471  1  0.297998  0.424201  0.690728  1
  Fe  Fe472  1  0.017923  0.753752  0.666737  1
  Fe  Fe473  1  0.912663  0.426920  0.718103  1
  Fe  Fe474  1  0.964664  0.090867  0.690728  1
  Fe  Fe475  1  0.684590  0.420418  0.666737  1
  Fe  Fe476  1  0.579329  0.093587  0.718103  1
  Fe  Fe477  1  0.351256  0.087085  0.666737  1
  Fe  Fe478  1  0.871117  0.752474  0.657797  1
  Fe  Fe479  1  0.481738  0.756217  0.682636  1
  Fe  Fe480  1  0.537784  0.419141  0.657797  1
  Fe  Fe481  1  0.095186  0.760952  0.708842  1
  Fe  Fe482  1  0.148404  0.422884  0.682636  1
  Fe  Fe483  1  0.204451  0.085808  0.657797  1
  Fe  Fe484  1  0.761852  0.427619  0.708842  1
  Fe  Fe485  1  0.815071  0.089550  0.682636  1
  Fe  Fe486  1  0.428519  0.094286  0.708842  1
  Fe  Fe487  1  0.604094  0.473288  0.701475  1
  Fe  Fe488  1  0.208935  0.469350  0.727134  1
  Fe  Fe489  1  0.270761  0.139955  0.701475  1
  Fe  Fe490  1  0.989729  0.469016  0.675536  1
  Fe  Fe491  1  0.875601  0.136017  0.727134  1
  Fe  Fe492  1  0.937427  0.806622  0.701475  1
  Fe  Fe493  1  0.656396  0.135683  0.675536  1
  Fe  Fe494  1  0.542268  0.802683  0.727134  1
  Fe  Fe495  1  0.323062  0.802350  0.675536  1
  Fe  Fe496  1  0.737111  0.676050  0.667164  1
  Fe  Fe497  1  0.349558  0.678730  0.692235  1
  Fe  Fe498  1  0.403778  0.342716  0.667164  1
  Fe  Fe499  1  0.960963  0.677636  0.718905  1
  Fe  Fe500  1  0.016225  0.345397  0.692235  1
  Fe  Fe501  1  0.070444  0.009383  0.667164  1
  Fe  Fe502  1  0.627629  0.344303  0.718905  1
  Fe  Fe503  1  0.682892  0.012063  0.692235  1
  Fe  Fe504  1  0.294296  0.010969  0.718905  1
  Fe  Fe505  1  0.868573  0.610537  0.656373  1
  Fe  Fe506  1  0.480947  0.613543  0.681516  1
  Fe  Fe507  1  0.535240  0.277203  0.656373  1
  Fe  Fe508  1  0.094421  0.616439  0.707267  1
  Fe  Fe509  1  0.147614  0.280210  0.681516  1
  Fe  Fe510  1  0.201906  0.943870  0.656373  1
  Fe  Fe511  1  0.761087  0.283105  0.707267  1
  Fe  Fe512  1  0.814281  0.946876  0.681516  1
  Fe  Fe513  1  0.427754  0.949772  0.707267  1
  Fe  Fe514  1  0.736555  0.553060  0.691890  1
  Fe  Fe515  1  0.347671  0.547685  0.718048  1
  Fe  Fe516  1  0.403221  0.219727  0.691890  1
  Fe  Fe517  1  0.124609  0.548136  0.666250  1
  Fe  Fe518  1  0.014337  0.214352  0.718048  1
  Fe  Fe519  1  0.069888  0.886393  0.691890  1
  Fe  Fe520  1  0.791275  0.214803  0.666250  1
  Fe  Fe521  1  0.681004  0.881018  0.718048  1
  Fe  Fe522  1  0.457942  0.881469  0.666250  1
  Fe  Fe523  1  0.841797  0.469292  0.667166  1
  Fe  Fe524  1  0.454127  0.474079  0.693468  1
  Fe  Fe525  1  0.508463  0.135959  0.667166  1
  Fe  Fe526  1  0.067020  0.474225  0.718785  1
  Fe  Fe527  1  0.120794  0.140745  0.693468  1
  Fe  Fe528  1  0.175130  0.802626  0.667166  1
  Fe  Fe529  1  0.733687  0.140892  0.718785  1
  Fe  Fe530  1  0.787460  0.807412  0.693468  1
  Fe  Fe531  1  0.400354  0.807558  0.718785  1
  Fe  Fe532  1  0.605854  0.616398  0.702639  1
  Fe  Fe533  1  0.226438  0.614347  0.727022  1
  Fe  Fe534  1  0.272520  0.283065  0.702639  1
  Fe  Fe535  1  0.991485  0.612915  0.677363  1
  Fe  Fe536  1  0.893104  0.281013  0.727022  1
  Fe  Fe537  1  0.939187  0.949732  0.702639  1
  Fe  Fe538  1  0.658151  0.279582  0.677363  1
  Fe  Fe539  1  0.559771  0.947680  0.727022  1
  Fe  Fe540  1  0.324818  0.946248  0.677363  1
  C  C541  1  0.524283  0.642241  0.318483  1
  C  C542  1  0.137142  0.646764  0.344164  1
  C  C543  1  0.190949  0.308908  0.318483  1
  C  C544  1  0.910501  0.641119  0.293284  1
  C  C545  1  0.803808  0.313431  0.344164  1
  C  C546  1  0.857616  0.975574  0.318483  1
  C  C547  1  0.577168  0.307785  0.293284  1
  C  C548  1  0.470475  0.980098  0.344164  1
  C  C549  1  0.243834  0.974452  0.293284  1
  C  C550  1  0.588455  0.487644  0.342533  1
  C  C551  1  0.361222  0.480180  0.291932  1
  C  C552  1  0.255122  0.154311  0.342533  1
  C  C553  1  0.974780  0.483621  0.315896  1
  C  C554  1  0.027888  0.146847  0.291932  1
  C  C555  1  0.921788  0.820977  0.342533  1
  C  C556  1  0.641446  0.150287  0.315896  1
  C  C557  1  0.694555  0.813514  0.291932  1
  C  C558  1  0.308113  0.816954  0.315896  1
  C  C559  1  0.345234  0.644623  0.324200  1
  C  C560  1  0.117916  0.635789  0.273505  1
  C  C561  1  0.011900  0.311290  0.324200  1
  C  C562  1  0.732973  0.642631  0.298826  1
  C  C563  1  0.784583  0.302456  0.273505  1
  C  C564  1  0.678567  0.977956  0.324200  1
  C  C565  1  0.399640  0.309297  0.298826  1
  C  C566  1  0.451249  0.969123  0.273505  1
  C  C567  1  0.066307  0.975964  0.298826  1
  C  C568  1  0.568727  0.480508  0.271476  1
  C  C569  1  0.183033  0.479713  0.296897  1
  C  C570  1  0.235394  0.147175  0.271476  1
  C  C571  1  0.794941  0.483567  0.322201  1
  C  C572  1  0.849699  0.146379  0.296897  1
  C  C573  1  0.902060  0.813842  0.271476  1
  C  C574  1  0.461608  0.150233  0.322201  1
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