# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.63378396
_cell_length_b   19.18134180
_cell_length_c   52.62651615
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe420 C180'
_cell_volume   10734.2433736
_cell_formula_units_Z   60
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  0.797882  0.996016  0.345551  1
  Fe  Fe2  1  0.798815  0.174519  0.284856  1
  Fe  Fe3  1  0.800206  0.587102  0.314968  1
  Fe  Fe4  1  0.697769  0.174363  0.350121  1
  Fe  Fe5  1  0.702722  0.350929  0.289031  1
  Fe  Fe6  1  0.700555  0.764473  0.319824  1
  Fe  Fe7  1  0.202037  0.921629  0.285411  1
  Fe  Fe8  1  0.198594  0.333538  0.316651  1
  Fe  Fe9  1  0.201749  0.743518  0.347051  1
  Fe  Fe10  1  0.300666  0.921960  0.351063  1
  Fe  Fe11  1  0.301849  0.103899  0.291839  1
  Fe  Fe12  1  0.299600  0.512224  0.320503  1
  Fe  Fe13  1  0.802505  0.994370  0.296062  1
  Fe  Fe14  1  0.801077  0.406523  0.325513  1
  Fe  Fe15  1  0.802027  0.815651  0.354923  1
  Fe  Fe16  1  0.698371  0.906523  0.325513  1
  Fe  Fe17  1  0.697421  0.315651  0.354923  1
  Fe  Fe18  1  0.696943  0.494370  0.296062  1
  Fe  Fe19  1  0.205190  0.781908  0.282907  1
  Fe  Fe20  1  0.195259  0.194811  0.311792  1
  Fe  Fe21  1  0.198376  0.603195  0.342099  1
  Fe  Fe22  1  0.301072  0.103195  0.342099  1
  Fe  Fe23  1  0.294258  0.281908  0.282907  1
  Fe  Fe24  1  0.304189  0.694811  0.311792  1
  Fe  Fe25  1  0.572001  0.994279  0.294718  1
  Fe  Fe26  1  0.571737  0.404042  0.325323  1
  Fe  Fe27  1  0.576126  0.812752  0.355579  1
  Fe  Fe28  1  0.927711  0.904042  0.325323  1
  Fe  Fe29  1  0.923323  0.312752  0.355579  1
  Fe  Fe30  1  0.927447  0.494279  0.294718  1
  Fe  Fe31  1  0.436106  0.788541  0.278370  1
  Fe  Fe32  1  0.420125  0.194791  0.312085  1
  Fe  Fe33  1  0.425699  0.604723  0.341747  1
  Fe  Fe34  1  0.073750  0.104723  0.341747  1
  Fe  Fe35  1  0.063342  0.288541  0.278370  1
  Fe  Fe36  1  0.079323  0.694791  0.312085  1
  Fe  Fe37  1  0.374238  0.964273  0.304969  1
  Fe  Fe38  1  0.372968  0.374178  0.335507  1
  Fe  Fe39  1  0.372899  0.562491  0.274007  1
  Fe  Fe40  1  0.126481  0.874178  0.335507  1
  Fe  Fe41  1  0.126550  0.062491  0.274007  1
  Fe  Fe42  1  0.125210  0.464273  0.304969  1
  Fe  Fe43  1  0.625360  0.045817  0.361219  1
  Fe  Fe44  1  0.623493  0.228249  0.300656  1
  Fe  Fe45  1  0.626688  0.635487  0.331167  1
  Fe  Fe46  1  0.872760  0.135487  0.331167  1
  Fe  Fe47  1  0.874088  0.545817  0.361219  1
  Fe  Fe48  1  0.875955  0.728249  0.300656  1
  Fe  Fe49  1  0.699242  0.087102  0.314968  1
  Fe  Fe50  1  0.701566  0.496016  0.345551  1
  Fe  Fe51  1  0.700634  0.674519  0.284856  1
  Fe  Fe52  1  0.796726  0.850929  0.289031  1
  Fe  Fe53  1  0.798893  0.264473  0.319824  1
  Fe  Fe54  1  0.801679  0.674363  0.350121  1
  Fe  Fe55  1  0.300855  0.833538  0.316651  1
  Fe  Fe56  1  0.297700  0.243518  0.347051  1
  Fe  Fe57  1  0.297411  0.421629  0.285411  1
  Fe  Fe58  1  0.199849  0.012224  0.320503  1
  Fe  Fe59  1  0.198783  0.421960  0.351063  1
  Fe  Fe60  1  0.197599  0.603899  0.291839  1
  Fe  Fe61  1  0.506984  0.942491  0.342265  1
  Fe  Fe62  1  0.513258  0.121520  0.280609  1
  Fe  Fe63  1  0.504230  0.532003  0.312130  1
  Fe  Fe64  1  0.988723  0.948980  0.279182  1
  Fe  Fe65  1  0.988474  0.358933  0.310177  1
  Fe  Fe66  1  0.990853  0.770481  0.340162  1
  Fe  Fe67  1  0.491774  0.148567  0.356286  1
  Fe  Fe68  1  0.490493  0.327901  0.296252  1
  Fe  Fe69  1  0.493741  0.738689  0.326301  1
  Fe  Fe70  1  0.009317  0.976673  0.354285  1
  Fe  Fe71  1  0.005854  0.155177  0.293638  1
  Fe  Fe72  1  0.008924  0.567547  0.324128  1
  Fe  Fe73  1  0.490525  0.067547  0.324128  1
  Fe  Fe74  1  0.490132  0.476673  0.354285  1
  Fe  Fe75  1  0.493595  0.655177  0.293638  1
  Fe  Fe76  1  0.008955  0.827901  0.296252  1
  Fe  Fe77  1  0.005707  0.238689  0.326301  1
  Fe  Fe78  1  0.007675  0.648567  0.356286  1
  Fe  Fe79  1  0.510974  0.858933  0.310177  1
  Fe  Fe80  1  0.508595  0.270481  0.340162  1
  Fe  Fe81  1  0.510726  0.448980  0.279182  1
  Fe  Fe82  1  0.995218  0.032003  0.312130  1
  Fe  Fe83  1  0.992464  0.442491  0.342265  1
  Fe  Fe84  1  0.986190  0.621520  0.280609  1
  Fe  Fe85  1  0.800170  0.225068  0.436603  1
  Fe  Fe86  1  0.799440  0.406362  0.375884  1
  Fe  Fe87  1  0.800772  0.815768  0.406372  1
  Fe  Fe88  1  0.699038  0.403393  0.441377  1
  Fe  Fe89  1  0.699743  0.584249  0.380807  1
  Fe  Fe90  1  0.699293  0.993875  0.411008  1
  Fe  Fe91  1  0.199816  0.153773  0.376707  1
  Fe  Fe92  1  0.198955  0.563634  0.407007  1
  Fe  Fe93  1  0.199419  0.973094  0.437334  1
  Fe  Fe94  1  0.300190  0.151323  0.441968  1
  Fe  Fe95  1  0.299615  0.331804  0.381319  1
  Fe  Fe96  1  0.300136  0.741604  0.411688  1
  Fe  Fe97  1  0.800795  0.225363  0.384994  1
  Fe  Fe98  1  0.801702  0.634464  0.415291  1
  Fe  Fe99  1  0.801923  0.043838  0.445832  1
  Fe  Fe100  1  0.697747  0.134464  0.415291  1
  Fe  Fe101  1  0.697525  0.543838  0.445832  1
  Fe  Fe102  1  0.698654  0.725363  0.384994  1
  Fe  Fe103  1  0.198315  0.013575  0.372296  1
  Fe  Fe104  1  0.197262  0.422816  0.402587  1
  Fe  Fe105  1  0.198036  0.832561  0.432866  1
  Fe  Fe106  1  0.301412  0.332561  0.432866  1
  Fe  Fe107  1  0.301133  0.513575  0.372296  1
  Fe  Fe108  1  0.302187  0.922816  0.402587  1
  Fe  Fe109  1  0.574215  0.222642  0.385926  1
  Fe  Fe110  1  0.573643  0.632141  0.416234  1
  Fe  Fe111  1  0.574177  0.041819  0.446575  1
  Fe  Fe112  1  0.925805  0.132141  0.416234  1
  Fe  Fe113  1  0.925271  0.541819  0.446575  1
  Fe  Fe114  1  0.925233  0.722642  0.385926  1
  Fe  Fe115  1  0.425630  0.015546  0.371454  1
  Fe  Fe116  1  0.424697  0.425155  0.401944  1
  Fe  Fe117  1  0.425715  0.834762  0.432100  1
  Fe  Fe118  1  0.073733  0.334762  0.432100  1
  Fe  Fe119  1  0.073818  0.515546  0.371454  1
  Fe  Fe120  1  0.074751  0.925155  0.401944  1
  Fe  Fe121  1  0.373793  0.192405  0.396100  1
  Fe  Fe122  1  0.373506  0.602203  0.426278  1
  Fe  Fe123  1  0.375407  0.782114  0.365914  1
  Fe  Fe124  1  0.125942  0.102203  0.426278  1
  Fe  Fe125  1  0.124042  0.282114  0.365914  1
  Fe  Fe126  1  0.125655  0.692405  0.396100  1
  Fe  Fe127  1  0.625796  0.274646  0.452240  1
  Fe  Fe128  1  0.625154  0.455723  0.391570  1
  Fe  Fe129  1  0.626119  0.865116  0.422018  1
  Fe  Fe130  1  0.873329  0.365116  0.422018  1
  Fe  Fe131  1  0.873652  0.774646  0.452240  1
  Fe  Fe132  1  0.874295  0.955723  0.391570  1
  Fe  Fe133  1  0.698676  0.315768  0.406372  1
  Fe  Fe134  1  0.699279  0.725068  0.436603  1
  Fe  Fe135  1  0.700008  0.906362  0.375884  1
  Fe  Fe136  1  0.799706  0.084249  0.380807  1
  Fe  Fe137  1  0.800155  0.493875  0.411008  1
  Fe  Fe138  1  0.800410  0.903393  0.441377  1
  Fe  Fe139  1  0.300493  0.063634  0.407007  1
  Fe  Fe140  1  0.300030  0.473094  0.437334  1
  Fe  Fe141  1  0.299632  0.653773  0.376707  1
  Fe  Fe142  1  0.199312  0.241604  0.411688  1
  Fe  Fe143  1  0.199258  0.651323  0.441968  1
  Fe  Fe144  1  0.199833  0.831804  0.381319  1
  Fe  Fe145  1  0.507197  0.170875  0.433053  1
  Fe  Fe146  1  0.506665  0.352096  0.372513  1
  Fe  Fe147  1  0.508453  0.761245  0.402672  1
  Fe  Fe148  1  0.989913  0.179417  0.370406  1
  Fe  Fe149  1  0.992122  0.589485  0.400751  1
  Fe  Fe150  1  0.992849  0.999349  0.431016  1
  Fe  Fe151  1  0.492203  0.377248  0.447692  1
  Fe  Fe152  1  0.492275  0.557984  0.386992  1
  Fe  Fe153  1  0.492472  0.967703  0.417333  1
  Fe  Fe154  1  0.007612  0.205582  0.445504  1
  Fe  Fe155  1  0.006508  0.386195  0.385097  1
  Fe  Fe156  1  0.007482  0.796298  0.415281  1
  Fe  Fe157  1  0.491966  0.296298  0.415281  1
  Fe  Fe158  1  0.491836  0.705582  0.445504  1
  Fe  Fe159  1  0.492940  0.886195  0.385097  1
  Fe  Fe160  1  0.007173  0.057984  0.386992  1
  Fe  Fe161  1  0.006976  0.467703  0.417333  1
  Fe  Fe162  1  0.007245  0.877248  0.447692  1
  Fe  Fe163  1  0.507326  0.089485  0.400751  1
  Fe  Fe164  1  0.506599  0.499349  0.431016  1
  Fe  Fe165  1  0.509535  0.679417  0.370406  1
  Fe  Fe166  1  0.990996  0.261245  0.402672  1
  Fe  Fe167  1  0.992251  0.670875  0.433053  1
  Fe  Fe168  1  0.992783  0.852096  0.372513  1
  Fe  Fe169  1  0.799986  0.453611  0.527557  1
  Fe  Fe170  1  0.799976  0.634688  0.466934  1
  Fe  Fe171  1  0.800407  0.044165  0.497257  1
  Fe  Fe172  1  0.698936  0.631911  0.532246  1
  Fe  Fe173  1  0.699217  0.812932  0.471652  1
  Fe  Fe174  1  0.699222  0.222299  0.501931  1
  Fe  Fe175  1  0.198936  0.382534  0.467665  1
  Fe  Fe176  1  0.199222  0.792146  0.497981  1
  Fe  Fe177  1  0.199217  0.201512  0.528259  1
  Fe  Fe178  1  0.299976  0.379756  0.532978  1
  Fe  Fe179  1  0.299986  0.560833  0.472355  1
  Fe  Fe180  1  0.300407  0.970279  0.502655  1
  Fe  Fe181  1  0.801539  0.453453  0.476123  1
  Fe  Fe182  1  0.801760  0.862857  0.506443  1
  Fe  Fe183  1  0.801726  0.272497  0.536698  1
  Fe  Fe184  1  0.697689  0.362857  0.506443  1
  Fe  Fe185  1  0.697722  0.772497  0.536698  1
  Fe  Fe186  1  0.697909  0.953453  0.476123  1
  Fe  Fe187  1  0.197722  0.241948  0.463213  1
  Fe  Fe188  1  0.197689  0.651588  0.493468  1
  Fe  Fe189  1  0.197909  0.060991  0.523789  1
  Fe  Fe190  1  0.301539  0.560991  0.523789  1
  Fe  Fe191  1  0.301726  0.741948  0.463213  1
  Fe  Fe192  1  0.301760  0.151588  0.493468  1
  Fe  Fe193  1  0.573741  0.451181  0.476854  1
  Fe  Fe194  1  0.574093  0.860645  0.507241  1
  Fe  Fe195  1  0.573930  0.270193  0.537513  1
  Fe  Fe196  1  0.925356  0.360645  0.507241  1
  Fe  Fe197  1  0.925519  0.770193  0.537513  1
  Fe  Fe198  1  0.925707  0.951181  0.476854  1
  Fe  Fe199  1  0.425519  0.244251  0.462398  1
  Fe  Fe200  1  0.425356  0.653800  0.492671  1
  Fe  Fe201  1  0.425707  0.063264  0.523057  1
  Fe  Fe202  1  0.073741  0.563264  0.523057  1
  Fe  Fe203  1  0.073930  0.744251  0.462398  1
  Fe  Fe204  1  0.074093  0.153800  0.492671  1
  Fe  Fe205  1  0.373416  0.420784  0.487032  1
  Fe  Fe206  1  0.373779  0.830410  0.517373  1
  Fe  Fe207  1  0.373835  0.011324  0.456776  1
  Fe  Fe208  1  0.125669  0.330410  0.517373  1
  Fe  Fe209  1  0.125613  0.511324  0.456776  1
  Fe  Fe210  1  0.126032  0.920784  0.487032  1
  Fe  Fe211  1  0.625613  0.503121  0.543135  1
  Fe  Fe212  1  0.625669  0.684034  0.482538  1
  Fe  Fe213  1  0.626032  0.093661  0.512880  1
  Fe  Fe214  1  0.873416  0.593661  0.512880  1
  Fe  Fe215  1  0.873835  0.003121  0.543135  1
  Fe  Fe216  1  0.873779  0.184034  0.482538  1
  Fe  Fe217  1  0.699042  0.544165  0.497257  1
  Fe  Fe218  1  0.699462  0.953611  0.527557  1
  Fe  Fe219  1  0.699472  0.134688  0.466934  1
  Fe  Fe220  1  0.800231  0.312932  0.471652  1
  Fe  Fe221  1  0.800226  0.722299  0.501931  1
  Fe  Fe222  1  0.800512  0.131911  0.532246  1
  Fe  Fe223  1  0.300226  0.292146  0.497981  1
  Fe  Fe224  1  0.300231  0.701512  0.528259  1
  Fe  Fe225  1  0.300512  0.882534  0.467665  1
  Fe  Fe226  1  0.199042  0.470279  0.502655  1
  Fe  Fe227  1  0.199472  0.879756  0.532978  1
  Fe  Fe228  1  0.199462  0.060833  0.472355  1
  Fe  Fe229  1  0.507149  0.399432  0.524000  1
  Fe  Fe230  1  0.507170  0.580349  0.463359  1
  Fe  Fe231  1  0.507558  0.989904  0.493690  1
  Fe  Fe232  1  0.991963  0.408703  0.461350  1
  Fe  Fe233  1  0.992459  0.818157  0.491663  1
  Fe  Fe234  1  0.992359  0.227739  0.521948  1
  Fe  Fe235  1  0.491963  0.605742  0.538562  1
  Fe  Fe236  1  0.492359  0.786706  0.477963  1
  Fe  Fe237  1  0.492459  0.196287  0.508248  1
  Fe  Fe238  1  0.007170  0.434096  0.536552  1
  Fe  Fe239  1  0.007149  0.615013  0.475912  1
  Fe  Fe240  1  0.007558  0.024540  0.506221  1
  Fe  Fe241  1  0.491890  0.524540  0.506221  1
  Fe  Fe242  1  0.492278  0.934096  0.536552  1
  Fe  Fe243  1  0.492299  0.115013  0.475912  1
  Fe  Fe244  1  0.007090  0.286706  0.477963  1
  Fe  Fe245  1  0.006989  0.696287  0.508248  1
  Fe  Fe246  1  0.007485  0.105742  0.538562  1
  Fe  Fe247  1  0.506989  0.318157  0.491663  1
  Fe  Fe248  1  0.507090  0.727739  0.521948  1
  Fe  Fe249  1  0.507485  0.908703  0.461350  1
  Fe  Fe250  1  0.991890  0.489904  0.493690  1
  Fe  Fe251  1  0.992299  0.899432  0.524000  1
  Fe  Fe252  1  0.992278  0.080349  0.463359  1
  Fe  Fe253  1  0.799615  0.682641  0.618592  1
  Fe  Fe254  1  0.800190  0.863122  0.557944  1
  Fe  Fe255  1  0.800136  0.272840  0.588223  1
  Fe  Fe256  1  0.699816  0.860672  0.623204  1
  Fe  Fe257  1  0.699419  0.041350  0.562577  1
  Fe  Fe258  1  0.698955  0.450810  0.592904  1
  Fe  Fe259  1  0.199038  0.611052  0.558534  1
  Fe  Fe260  1  0.199293  0.020569  0.588903  1
  Fe  Fe261  1  0.199743  0.430196  0.619104  1
  Fe  Fe262  1  0.299440  0.608083  0.624028  1
  Fe  Fe263  1  0.300170  0.789377  0.563308  1
  Fe  Fe264  1  0.300772  0.198677  0.593539  1
  Fe  Fe265  1  0.801412  0.681883  0.567045  1
  Fe  Fe266  1  0.802187  0.091629  0.597324  1
  Fe  Fe267  1  0.801133  0.500869  0.627615  1
  Fe  Fe268  1  0.697262  0.591629  0.597324  1
  Fe  Fe269  1  0.698315  0.000869  0.627615  1
  Fe  Fe270  1  0.698036  0.181883  0.567045  1
  Fe  Fe271  1  0.197525  0.470606  0.554080  1
  Fe  Fe272  1  0.197747  0.879981  0.584620  1
  Fe  Fe273  1  0.198654  0.289081  0.614917  1
  Fe  Fe274  1  0.300795  0.789081  0.614917  1
  Fe  Fe275  1  0.301923  0.970606  0.554080  1
  Fe  Fe276  1  0.301702  0.379981  0.584620  1
  Fe  Fe277  1  0.573733  0.679683  0.567812  1
  Fe  Fe278  1  0.574751  0.089290  0.597968  1
  Fe  Fe279  1  0.573818  0.498899  0.628457  1
  Fe  Fe280  1  0.924697  0.589290  0.597968  1
  Fe  Fe281  1  0.925630  0.998899  0.628457  1
  Fe  Fe282  1  0.925715  0.179683  0.567812  1
  Fe  Fe283  1  0.425271  0.472626  0.553336  1
  Fe  Fe284  1  0.425805  0.882303  0.583677  1
  Fe  Fe285  1  0.425233  0.291803  0.613985  1
  Fe  Fe286  1  0.074215  0.791803  0.613985  1
  Fe  Fe287  1  0.074177  0.972626  0.553336  1
  Fe  Fe288  1  0.073643  0.382303  0.583677  1
  Fe  Fe289  1  0.373329  0.649329  0.577894  1
  Fe  Fe290  1  0.374295  0.058721  0.608341  1
  Fe  Fe291  1  0.373652  0.239798  0.547671  1
  Fe  Fe292  1  0.125154  0.558721  0.608341  1
  Fe  Fe293  1  0.125796  0.739798  0.547671  1
  Fe  Fe294  1  0.126119  0.149329  0.577894  1
  Fe  Fe295  1  0.624042  0.732331  0.633998  1
  Fe  Fe296  1  0.625942  0.912242  0.573633  1
  Fe  Fe297  1  0.625655  0.322039  0.603811  1
  Fe  Fe298  1  0.873793  0.822039  0.603811  1
  Fe  Fe299  1  0.875407  0.232331  0.633998  1
  Fe  Fe300  1  0.873506  0.412242  0.573633  1
  Fe  Fe301  1  0.699312  0.772840  0.588223  1
  Fe  Fe302  1  0.699833  0.182641  0.618592  1
  Fe  Fe303  1  0.699258  0.363122  0.557944  1
  Fe  Fe304  1  0.800030  0.541350  0.562577  1
  Fe  Fe305  1  0.800493  0.950810  0.592904  1
  Fe  Fe306  1  0.799632  0.360672  0.623204  1
  Fe  Fe307  1  0.300155  0.520569  0.588903  1
  Fe  Fe308  1  0.299706  0.930196  0.619104  1
  Fe  Fe309  1  0.300410  0.111052  0.558534  1
  Fe  Fe310  1  0.198676  0.698677  0.593539  1
  Fe  Fe311  1  0.200008  0.108083  0.624028  1
  Fe  Fe312  1  0.199279  0.289377  0.563308  1
  Fe  Fe313  1  0.506508  0.628249  0.614814  1
  Fe  Fe314  1  0.507612  0.808863  0.554407  1
  Fe  Fe315  1  0.507482  0.218147  0.584630  1
  Fe  Fe316  1  0.992203  0.637196  0.552220  1
  Fe  Fe317  1  0.992472  0.046742  0.582578  1
  Fe  Fe318  1  0.992275  0.456461  0.612920  1
  Fe  Fe319  1  0.489913  0.835028  0.629505  1
  Fe  Fe320  1  0.492849  0.015096  0.568895  1
  Fe  Fe321  1  0.492122  0.424960  0.599160  1
  Fe  Fe322  1  0.006665  0.662349  0.627398  1
  Fe  Fe323  1  0.007197  0.843570  0.566858  1
  Fe  Fe324  1  0.008453  0.253200  0.597239  1
  Fe  Fe325  1  0.490996  0.753200  0.597239  1
  Fe  Fe326  1  0.492783  0.162349  0.627398  1
  Fe  Fe327  1  0.492251  0.343570  0.566858  1
  Fe  Fe328  1  0.006599  0.515096  0.568895  1
  Fe  Fe329  1  0.007326  0.924960  0.599160  1
  Fe  Fe330  1  0.009535  0.335028  0.629505  1
  Fe  Fe331  1  0.506976  0.546742  0.582578  1
  Fe  Fe332  1  0.507173  0.956461  0.612920  1
  Fe  Fe333  1  0.507245  0.137196  0.552220  1
  Fe  Fe334  1  0.991966  0.718147  0.584630  1
  Fe  Fe335  1  0.992940  0.128249  0.614814  1
  Fe  Fe336  1  0.991836  0.308863  0.554407  1
  Fe  Fe337  1  0.801849  0.910545  0.708072  1
  Fe  Fe338  1  0.800666  0.092484  0.648848  1
  Fe  Fe339  1  0.799600  0.502220  0.679408  1
  Fe  Fe340  1  0.702037  0.092816  0.714501  1
  Fe  Fe341  1  0.701749  0.270927  0.652860  1
  Fe  Fe342  1  0.698594  0.680907  0.683260  1
  Fe  Fe343  1  0.197769  0.840082  0.649790  1
  Fe  Fe344  1  0.200555  0.249971  0.680088  1
  Fe  Fe345  1  0.202722  0.663516  0.710880  1
  Fe  Fe346  1  0.298815  0.839926  0.715055  1
  Fe  Fe347  1  0.297882  0.018429  0.654360  1
  Fe  Fe348  1  0.300206  0.427342  0.684943  1
  Fe  Fe349  1  0.801072  0.911250  0.657812  1
  Fe  Fe350  1  0.804189  0.319634  0.688119  1
  Fe  Fe351  1  0.794258  0.732537  0.717004  1
  Fe  Fe352  1  0.695259  0.819634  0.688119  1
  Fe  Fe353  1  0.705190  0.232537  0.717004  1
  Fe  Fe354  1  0.698376  0.411250  0.657812  1
  Fe  Fe355  1  0.197421  0.698794  0.644988  1
  Fe  Fe356  1  0.198371  0.107922  0.674398  1
  Fe  Fe357  1  0.196943  0.520074  0.703849  1
  Fe  Fe358  1  0.302505  0.020074  0.703849  1
  Fe  Fe359  1  0.302027  0.198794  0.644988  1
  Fe  Fe360  1  0.301077  0.607922  0.674398  1
  Fe  Fe361  1  0.573750  0.909722  0.658164  1
  Fe  Fe362  1  0.579323  0.319654  0.687827  1
  Fe  Fe363  1  0.563342  0.725904  0.721542  1
  Fe  Fe364  1  0.920125  0.819654  0.687827  1
  Fe  Fe365  1  0.936106  0.225904  0.721542  1
  Fe  Fe366  1  0.925699  0.409722  0.658164  1
  Fe  Fe367  1  0.423323  0.701693  0.644333  1
  Fe  Fe368  1  0.427711  0.110403  0.674589  1
  Fe  Fe369  1  0.427447  0.520166  0.705194  1
  Fe  Fe370  1  0.072001  0.020166  0.705194  1
  Fe  Fe371  1  0.076126  0.201693  0.644333  1
  Fe  Fe372  1  0.071737  0.610403  0.674589  1
  Fe  Fe373  1  0.372760  0.878957  0.668744  1
  Fe  Fe374  1  0.375955  0.286196  0.699255  1
  Fe  Fe375  1  0.374088  0.468628  0.638693  1
  Fe  Fe376  1  0.123493  0.786196  0.699255  1
  Fe  Fe377  1  0.125360  0.968628  0.638693  1
  Fe  Fe378  1  0.126688  0.378957  0.668744  1
  Fe  Fe379  1  0.626550  0.951953  0.725904  1
  Fe  Fe380  1  0.626481  0.140267  0.664405  1
  Fe  Fe381  1  0.625210  0.550172  0.694942  1
  Fe  Fe382  1  0.874238  0.050172  0.694942  1
  Fe  Fe383  1  0.872899  0.451953  0.725904  1
  Fe  Fe384  1  0.872968  0.640267  0.664405  1
  Fe  Fe385  1  0.699849  0.002220  0.679408  1
  Fe  Fe386  1  0.697599  0.410545  0.708072  1
  Fe  Fe387  1  0.698783  0.592484  0.648848  1
  Fe  Fe388  1  0.797700  0.770927  0.652860  1
  Fe  Fe389  1  0.800855  0.180907  0.683260  1
  Fe  Fe390  1  0.797411  0.592816  0.714501  1
  Fe  Fe391  1  0.298893  0.749971  0.680088  1
  Fe  Fe392  1  0.296726  0.163516  0.710880  1
  Fe  Fe393  1  0.301679  0.340082  0.649790  1
  Fe  Fe394  1  0.199242  0.927342  0.684943  1
  Fe  Fe395  1  0.200634  0.339926  0.715055  1
  Fe  Fe396  1  0.201566  0.518429  0.654360  1
  Fe  Fe397  1  0.505854  0.859268  0.706273  1
  Fe  Fe398  1  0.509317  0.037772  0.645627  1
  Fe  Fe399  1  0.508924  0.446897  0.675784  1
  Fe  Fe400  1  0.991774  0.865877  0.643625  1
  Fe  Fe401  1  0.993741  0.275756  0.673610  1
  Fe  Fe402  1  0.990493  0.686544  0.703659  1
  Fe  Fe403  1  0.488723  0.065464  0.720729  1
  Fe  Fe404  1  0.490853  0.243963  0.659749  1
  Fe  Fe405  1  0.488474  0.655512  0.689734  1
  Fe  Fe406  1  0.013258  0.892925  0.719302  1
  Fe  Fe407  1  0.006984  0.071954  0.657646  1
  Fe  Fe408  1  0.004230  0.482442  0.687781  1
  Fe  Fe409  1  0.495218  0.982442  0.687781  1
  Fe  Fe410  1  0.486190  0.392925  0.719302  1
  Fe  Fe411  1  0.492464  0.571954  0.657646  1
  Fe  Fe412  1  0.008595  0.743963  0.659749  1
  Fe  Fe413  1  0.010974  0.155512  0.689734  1
  Fe  Fe414  1  0.010726  0.565464  0.720729  1
  Fe  Fe415  1  0.505707  0.775756  0.673610  1
  Fe  Fe416  1  0.508955  0.186544  0.703659  1
  Fe  Fe417  1  0.507675  0.365877  0.643625  1
  Fe  Fe418  1  0.990525  0.946897  0.675784  1
  Fe  Fe419  1  0.993595  0.359268  0.706273  1
  Fe  Fe420  1  0.990132  0.537772  0.645627  1
  C  C421  1  0.921736  0.064339  0.354875  1
  C  C422  1  0.921410  0.243792  0.294032  1
  C  C423  1  0.923670  0.655941  0.324026  1
  C  C424  1  0.578039  0.743792  0.294032  1
  C  C425  1  0.575778  0.155941  0.324026  1
  C  C426  1  0.577712  0.564339  0.354875  1
  C  C427  1  0.078153  0.943008  0.310858  1
  C  C428  1  0.074727  0.353251  0.342228  1
  C  C429  1  0.077879  0.535099  0.280975  1
  C  C430  1  0.421569  0.035099  0.280975  1
  C  C431  1  0.421295  0.443008  0.310858  1
  C  C432  1  0.424721  0.853251  0.342228  1
  C  C433  1  0.860726  0.909825  0.359191  1
  C  C434  1  0.861607  0.088817  0.298904  1
  C  C435  1  0.861703  0.500664  0.328677  1
  C  C436  1  0.642255  0.902647  0.290805  1
  C  C437  1  0.640004  0.312317  0.320272  1
  C  C438  1  0.641184  0.720421  0.350368  1
  C  C439  1  0.137099  0.197633  0.346401  1
  C  C440  1  0.134855  0.377832  0.286546  1
  C  C441  1  0.139692  0.788257  0.316890  1
  C  C442  1  0.359667  0.009101  0.337538  1
  C  C443  1  0.361421  0.190006  0.277594  1
  C  C444  1  0.359974  0.600031  0.307785  1
  C  C445  1  0.139474  0.100031  0.307785  1
  C  C446  1  0.139781  0.509101  0.337538  1
  C  C447  1  0.138028  0.690006  0.277594  1
  C  C448  1  0.364593  0.877832  0.286546  1
  C  C449  1  0.359756  0.288257  0.316890  1
  C  C450  1  0.362349  0.697633  0.346401  1
  C  C451  1  0.859444  0.812317  0.320272  1
  C  C452  1  0.858264  0.220421  0.350368  1
  C  C453  1  0.857193  0.402647  0.290805  1
  C  C454  1  0.637746  0.000664  0.328677  1
  C  C455  1  0.638722  0.409825  0.359191  1
  C  C456  1  0.637841  0.588817  0.298904  1
  C  C457  1  0.922987  0.294153  0.445738  1
  C  C458  1  0.922916  0.475060  0.385098  1
  C  C459  1  0.923336  0.885025  0.415456  1
  C  C460  1  0.576532  0.975060  0.385098  1
  C  C461  1  0.576112  0.385025  0.415456  1
  C  C462  1  0.576461  0.794153  0.445738  1
  C  C463  1  0.076153  0.172817  0.402425  1
  C  C464  1  0.076332  0.582151  0.432969  1
  C  C465  1  0.076043  0.763135  0.372280  1
  C  C466  1  0.423405  0.263135  0.372280  1
  C  C467  1  0.423295  0.672817  0.402425  1
  C  C468  1  0.423116  0.082151  0.432969  1
  C  C469  1  0.859926  0.138115  0.450165  1
  C  C470  1  0.859041  0.319512  0.389601  1
  C  C471  1  0.859837  0.728624  0.419889  1
  C  C472  1  0.639201  0.130285  0.380721  1
  C  C473  1  0.639595  0.539894  0.411222  1
  C  C474  1  0.640006  0.949578  0.441509  1
  C  C475  1  0.139539  0.426995  0.437206  1
  C  C476  1  0.138841  0.607951  0.376579  1
  C  C477  1  0.139989  0.017573  0.406879  1
  C  C478  1  0.359779  0.238379  0.428457  1
  C  C479  1  0.358749  0.419208  0.368026  1
  C  C480  1  0.360115  0.828551  0.398158  1
  C  C481  1  0.139333  0.328551  0.398158  1
  C  C482  1  0.139669  0.738379  0.428457  1
  C  C483  1  0.140699  0.919208  0.368026  1
  C  C484  1  0.360608  0.107951  0.376579  1
  C  C485  1  0.359459  0.517573  0.406879  1
  C  C486  1  0.359909  0.926995  0.437206  1
  C  C487  1  0.859853  0.039894  0.411222  1
  C  C488  1  0.859442  0.449578  0.441509  1
  C  C489  1  0.860247  0.630285  0.380721  1
  C  C490  1  0.639612  0.228624  0.419889  1
  C  C491  1  0.639522  0.638115  0.450165  1
  C  C492  1  0.640407  0.819512  0.389601  1
  C  C493  1  0.922796  0.522749  0.536646  1
  C  C494  1  0.923024  0.703728  0.476006  1
  C  C495  1  0.923356  0.113241  0.506338  1
  C  C496  1  0.576424  0.203728  0.476006  1
  C  C497  1  0.576092  0.613241  0.506338  1
  C  C498  1  0.576652  0.022749  0.536646  1
  C  C499  1  0.076092  0.401203  0.493573  1
  C  C500  1  0.076424  0.810717  0.523906  1
  C  C501  1  0.076652  0.991696  0.463265  1
  C  C502  1  0.422796  0.491696  0.463265  1
  C  C503  1  0.423356  0.901203  0.493573  1
  C  C504  1  0.423024  0.310717  0.523906  1
  C  C505  1  0.859709  0.366726  0.541184  1
  C  C506  1  0.859549  0.547711  0.480516  1
  C  C507  1  0.859889  0.957110  0.510786  1
  C  C508  1  0.639661  0.358936  0.471838  1
  C  C509  1  0.639752  0.768398  0.502091  1
  C  C510  1  0.640028  0.178011  0.532438  1
  C  C511  1  0.139661  0.655509  0.528073  1
  C  C512  1  0.140028  0.836434  0.467473  1
  C  C513  1  0.139752  0.246046  0.497820  1
  C  C514  1  0.359549  0.466734  0.519395  1
  C  C515  1  0.359709  0.647718  0.458727  1
  C  C516  1  0.359889  0.057335  0.489125  1
  C  C517  1  0.139560  0.557335  0.489125  1
  C  C518  1  0.139899  0.966734  0.519395  1
  C  C519  1  0.139740  0.147718  0.458727  1
  C  C520  1  0.359420  0.336434  0.467473  1
  C  C521  1  0.359697  0.746046  0.497820  1
  C  C522  1  0.359787  0.155509  0.528073  1
  C  C523  1  0.859697  0.268398  0.502091  1
  C  C524  1  0.859420  0.678011  0.532438  1
  C  C525  1  0.859787  0.858936  0.471838  1
  C  C526  1  0.639560  0.457110  0.510786  1
  C  C527  1  0.639740  0.866726  0.541184  1
  C  C528  1  0.639899  0.047711  0.480516  1
  C  C529  1  0.923405  0.751310  0.627631  1
  C  C530  1  0.923116  0.932293  0.566943  1
  C  C531  1  0.923295  0.341627  0.597486  1
  C  C532  1  0.576332  0.432293  0.566943  1
  C  C533  1  0.576153  0.841627  0.597486  1
  C  C534  1  0.576043  0.251310  0.627631  1
  C  C535  1  0.076112  0.629420  0.584455  1
  C  C536  1  0.076532  0.039385  0.614814  1
  C  C537  1  0.076461  0.220292  0.554173  1
  C  C538  1  0.422987  0.720292  0.554173  1
  C  C539  1  0.423336  0.129420  0.584455  1
  C  C540  1  0.422916  0.539385  0.614814  1
  C  C541  1  0.858749  0.595237  0.631885  1
  C  C542  1  0.859779  0.776066  0.571455  1
  C  C543  1  0.860115  0.185894  0.601753  1
  C  C544  1  0.639539  0.587450  0.562705  1
  C  C545  1  0.639989  0.996872  0.593032  1
  C  C546  1  0.638841  0.406493  0.623332  1
  C  C547  1  0.139201  0.884159  0.619191  1
  C  C548  1  0.140006  0.064866  0.558402  1
  C  C549  1  0.139595  0.474550  0.588690  1
  C  C550  1  0.359041  0.694933  0.610311  1
  C  C551  1  0.359926  0.876330  0.549746  1
  C  C552  1  0.359837  0.285821  0.580022  1
  C  C553  1  0.139612  0.785821  0.580022  1
  C  C554  1  0.140407  0.194933  0.610311  1
  C  C555  1  0.139522  0.376330  0.549746  1
  C  C556  1  0.359442  0.564866  0.558402  1
  C  C557  1  0.359853  0.974550  0.588690  1
  C  C558  1  0.360247  0.384159  0.619191  1
  C  C559  1  0.859459  0.496872  0.593032  1
  C  C560  1  0.860608  0.906493  0.623332  1
  C  C561  1  0.859909  0.087450  0.562705  1
  C  C562  1  0.639333  0.685894  0.601753  1
  C  C563  1  0.640699  0.095237  0.631885  1
  C  C564  1  0.639669  0.276066  0.571455  1
  C  C565  1  0.921569  0.979346  0.718936  1
  C  C566  1  0.924721  0.161194  0.657684  1
  C  C567  1  0.921295  0.571436  0.689053  1
  C  C568  1  0.574727  0.661194  0.657684  1
  C  C569  1  0.578153  0.071436  0.689053  1
  C  C570  1  0.577879  0.479346  0.718936  1
  C  C571  1  0.075778  0.858504  0.675885  1
  C  C572  1  0.078039  0.270653  0.705879  1
  C  C573  1  0.077712  0.450106  0.645037  1
  C  C574  1  0.421736  0.950106  0.645037  1
  C  C575  1  0.423670  0.358504  0.675885  1
  C  C576  1  0.421410  0.770653  0.705879  1
  C  C577  1  0.861421  0.824439  0.722317  1
  C  C578  1  0.859667  0.005344  0.662373  1
  C  C579  1  0.859974  0.414413  0.692126  1
  C  C580  1  0.637099  0.816812  0.653511  1
  C  C581  1  0.639692  0.226188  0.683022  1
  C  C582  1  0.634855  0.636612  0.713366  1
  C  C583  1  0.142255  0.111798  0.709106  1
  C  C584  1  0.141184  0.294024  0.649543  1
  C  C585  1  0.140004  0.702128  0.679639  1
  C  C586  1  0.361607  0.925628  0.701007  1
  C  C587  1  0.360726  0.104619  0.640720  1
  C  C588  1  0.361703  0.513781  0.671234  1
  C  C589  1  0.137746  0.013781  0.671234  1
  C  C590  1  0.137841  0.425628  0.701007  1
  C  C591  1  0.138722  0.604619  0.640720  1
  C  C592  1  0.358264  0.794024  0.649543  1
  C  C593  1  0.359444  0.202128  0.679639  1
  C  C594  1  0.357193  0.611798  0.709106  1
  C  C595  1  0.859756  0.726188  0.683022  1
  C  C596  1  0.864593  0.136612  0.713366  1
  C  C597  1  0.862349  0.316812  0.653511  1
  C  C598  1  0.639474  0.914413  0.692126  1
  C  C599  1  0.638028  0.324439  0.722317  1
  C  C600  1  0.639781  0.505344  0.662373  1
