# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   31.71048070
_cell_length_b   6.61419991
_cell_length_c   49.54861318
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.49615292
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe420 C168'
_cell_volume   10183.8099185
_cell_formula_units_Z   84
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  0.040317  0.579401  0.297615  1
  Fe  Fe2  1  0.372796  0.755045  0.275100  1
  Fe  Fe3  1  0.706167  0.410619  0.319732  1
  Fe  Fe4  1  0.142846  0.211564  0.301014  1
  Fe  Fe5  1  0.478398  0.389208  0.278643  1
  Fe  Fe6  1  0.809083  0.037350  0.323578  1
  Fe  Fe7  1  0.102522  0.861433  0.302391  1
  Fe  Fe8  1  0.436014  0.042169  0.279917  1
  Fe  Fe9  1  0.769989  0.690005  0.324379  1
  Fe  Fe10  1  0.079700  0.117863  0.272659  1
  Fe  Fe11  1  0.412528  0.776784  0.317198  1
  Fe  Fe12  1  0.745333  0.952378  0.293806  1
  Fe  Fe13  1  0.078938  0.240380  0.320695  1
  Fe  Fe14  1  0.413657  0.413394  0.299411  1
  Fe  Fe15  1  0.748541  0.596868  0.276453  1
  Fe  Fe16  1  0.103222  0.507429  0.284077  1
  Fe  Fe17  1  0.437215  0.167992  0.327191  1
  Fe  Fe18  1  0.770513  0.339004  0.305860  1
  Fe  Fe19  1  0.038086  0.894040  0.320935  1
  Fe  Fe20  1  0.372086  0.073786  0.298400  1
  Fe  Fe21  1  0.708993  0.242595  0.275624  1
  Fe  Fe22  1  0.144079  0.530291  0.325372  1
  Fe  Fe23  1  0.472732  0.701761  0.300091  1
  Fe  Fe24  1  0.807471  0.875995  0.279512  1
  Fe  Fe25  1  0.007900  0.246406  0.318472  1
  Fe  Fe26  1  0.342410  0.423295  0.294457  1
  Fe  Fe27  1  0.675545  0.594447  0.274154  1
  Fe  Fe28  1  0.007820  0.041580  0.281528  1
  Fe  Fe29  1  0.341079  0.695787  0.325827  1
  Fe  Fe30  1  0.674650  0.866211  0.303903  1
  Fe  Fe31  1  0.206167  0.410619  0.319732  1
  Fe  Fe32  1  0.540317  0.579401  0.297615  1
  Fe  Fe33  1  0.872796  0.755045  0.275100  1
  Fe  Fe34  1  0.309083  0.037350  0.323578  1
  Fe  Fe35  1  0.642846  0.211564  0.301014  1
  Fe  Fe36  1  0.978398  0.389208  0.278643  1
  Fe  Fe37  1  0.269989  0.690005  0.324379  1
  Fe  Fe38  1  0.602522  0.861433  0.302391  1
  Fe  Fe39  1  0.936014  0.042169  0.279917  1
  Fe  Fe40  1  0.245333  0.952378  0.293806  1
  Fe  Fe41  1  0.579700  0.117863  0.272659  1
  Fe  Fe42  1  0.912528  0.776784  0.317198  1
  Fe  Fe43  1  0.248541  0.596868  0.276453  1
  Fe  Fe44  1  0.578938  0.240380  0.320695  1
  Fe  Fe45  1  0.913657  0.413394  0.299411  1
  Fe  Fe46  1  0.270513  0.339004  0.305860  1
  Fe  Fe47  1  0.603222  0.507429  0.284077  1
  Fe  Fe48  1  0.937215  0.167992  0.327191  1
  Fe  Fe49  1  0.208993  0.242595  0.275624  1
  Fe  Fe50  1  0.538086  0.894040  0.320935  1
  Fe  Fe51  1  0.872086  0.073786  0.298400  1
  Fe  Fe52  1  0.307471  0.875995  0.279512  1
  Fe  Fe53  1  0.644079  0.530291  0.325372  1
  Fe  Fe54  1  0.972732  0.701761  0.300091  1
  Fe  Fe55  1  0.175545  0.594447  0.274154  1
  Fe  Fe56  1  0.507900  0.246406  0.318472  1
  Fe  Fe57  1  0.842410  0.423295  0.294457  1
  Fe  Fe58  1  0.174650  0.866211  0.303903  1
  Fe  Fe59  1  0.507820  0.041580  0.281528  1
  Fe  Fe60  1  0.841079  0.695787  0.325827  1
  Fe  Fe61  1  0.039468  0.058467  0.364379  1
  Fe  Fe62  1  0.372162  0.236495  0.342288  1
  Fe  Fe63  1  0.705923  0.885459  0.386392  1
  Fe  Fe64  1  0.142371  0.685804  0.368042  1
  Fe  Fe65  1  0.476015  0.862615  0.345564  1
  Fe  Fe66  1  0.809268  0.512749  0.390215  1
  Fe  Fe67  1  0.103236  0.337362  0.368652  1
  Fe  Fe68  1  0.436823  0.513117  0.346136  1
  Fe  Fe69  1  0.769701  0.165315  0.391112  1
  Fe  Fe70  1  0.079152  0.598985  0.339023  1
  Fe  Fe71  1  0.412548  0.252758  0.383233  1
  Fe  Fe72  1  0.745881  0.426999  0.361044  1
  Fe  Fe73  1  0.079270  0.723536  0.386887  1
  Fe  Fe74  1  0.412587  0.901188  0.364368  1
  Fe  Fe75  1  0.745969  0.074000  0.342281  1
  Fe  Fe76  1  0.103033  0.987490  0.350179  1
  Fe  Fe77  1  0.436559  0.639136  0.394323  1
  Fe  Fe78  1  0.769864  0.813236  0.372326  1
  Fe  Fe79  1  0.039603  0.376950  0.387632  1
  Fe  Fe80  1  0.373388  0.554159  0.365253  1
  Fe  Fe81  1  0.706857  0.727278  0.342750  1
  Fe  Fe82  1  0.143046  0.004554  0.391337  1
  Fe  Fe83  1  0.475758  0.179590  0.368673  1
  Fe  Fe84  1  0.809403  0.354650  0.346904  1
  Fe  Fe85  1  0.007867  0.722193  0.385322  1
  Fe  Fe86  1  0.341439  0.898166  0.362972  1
  Fe  Fe87  1  0.674808  0.070220  0.340915  1
  Fe  Fe88  1  0.007726  0.517623  0.347925  1
  Fe  Fe89  1  0.341076  0.168908  0.392491  1
  Fe  Fe90  1  0.674286  0.342319  0.370216  1
  Fe  Fe91  1  0.205923  0.885459  0.386392  1
  Fe  Fe92  1  0.539468  0.058467  0.364379  1
  Fe  Fe93  1  0.872162  0.236495  0.342288  1
  Fe  Fe94  1  0.309268  0.512749  0.390215  1
  Fe  Fe95  1  0.642371  0.685804  0.368042  1
  Fe  Fe96  1  0.976015  0.862615  0.345564  1
  Fe  Fe97  1  0.269701  0.165315  0.391112  1
  Fe  Fe98  1  0.603236  0.337362  0.368652  1
  Fe  Fe99  1  0.936823  0.513117  0.346136  1
  Fe  Fe100  1  0.245881  0.426999  0.361044  1
  Fe  Fe101  1  0.579152  0.598985  0.339023  1
  Fe  Fe102  1  0.912548  0.252758  0.383233  1
  Fe  Fe103  1  0.245969  0.074000  0.342281  1
  Fe  Fe104  1  0.579270  0.723536  0.386887  1
  Fe  Fe105  1  0.912587  0.901188  0.364368  1
  Fe  Fe106  1  0.269864  0.813236  0.372326  1
  Fe  Fe107  1  0.603033  0.987490  0.350179  1
  Fe  Fe108  1  0.936559  0.639136  0.394323  1
  Fe  Fe109  1  0.206857  0.727278  0.342750  1
  Fe  Fe110  1  0.539603  0.376950  0.387632  1
  Fe  Fe111  1  0.873388  0.554159  0.365253  1
  Fe  Fe112  1  0.309403  0.354650  0.346904  1
  Fe  Fe113  1  0.643046  0.004554  0.391337  1
  Fe  Fe114  1  0.975758  0.179590  0.368673  1
  Fe  Fe115  1  0.174808  0.070220  0.340915  1
  Fe  Fe116  1  0.507867  0.722193  0.385322  1
  Fe  Fe117  1  0.841439  0.898166  0.362972  1
  Fe  Fe118  1  0.174286  0.342319  0.370216  1
  Fe  Fe119  1  0.507726  0.517623  0.347925  1
  Fe  Fe120  1  0.841076  0.168908  0.392491  1
  Fe  Fe121  1  0.039598  0.535656  0.431010  1
  Fe  Fe122  1  0.372672  0.711516  0.408657  1
  Fe  Fe123  1  0.706138  0.361303  0.453109  1
  Fe  Fe124  1  0.142554  0.162929  0.434676  1
  Fe  Fe125  1  0.475993  0.338474  0.412278  1
  Fe  Fe126  1  0.809265  0.988522  0.456881  1
  Fe  Fe127  1  0.103112  0.815106  0.435548  1
  Fe  Fe128  1  0.436512  0.990158  0.413153  1
  Fe  Fe129  1  0.769778  0.640902  0.457756  1
  Fe  Fe130  1  0.079197  0.076528  0.405531  1
  Fe  Fe131  1  0.412552  0.728040  0.449883  1
  Fe  Fe132  1  0.745776  0.902493  0.427596  1
  Fe  Fe133  1  0.079363  0.200926  0.453466  1
  Fe  Fe134  1  0.412702  0.376793  0.431071  1
  Fe  Fe135  1  0.745845  0.552165  0.408720  1
  Fe  Fe136  1  0.103265  0.463250  0.416772  1
  Fe  Fe137  1  0.436612  0.114720  0.461059  1
  Fe  Fe138  1  0.769907  0.289241  0.438950  1
  Fe  Fe139  1  0.039789  0.853360  0.454281  1
  Fe  Fe140  1  0.373260  0.029160  0.431942  1
  Fe  Fe141  1  0.706538  0.203500  0.409734  1
  Fe  Fe142  1  0.143053  0.480630  0.457969  1
  Fe  Fe143  1  0.476192  0.655613  0.435563  1
  Fe  Fe144  1  0.809742  0.830689  0.413532  1
  Fe  Fe145  1  0.008036  0.197973  0.451954  1
  Fe  Fe146  1  0.341391  0.373554  0.429616  1
  Fe  Fe147  1  0.674720  0.547168  0.407387  1
  Fe  Fe148  1  0.007748  0.993350  0.414639  1
  Fe  Fe149  1  0.341074  0.644283  0.459140  1
  Fe  Fe150  1  0.674380  0.818622  0.436958  1
  Fe  Fe151  1  0.206138  0.361303  0.453109  1
  Fe  Fe152  1  0.539598  0.535656  0.431010  1
  Fe  Fe153  1  0.872672  0.711516  0.408657  1
  Fe  Fe154  1  0.309265  0.988522  0.456881  1
  Fe  Fe155  1  0.642554  0.162929  0.434676  1
  Fe  Fe156  1  0.975993  0.338474  0.412278  1
  Fe  Fe157  1  0.269778  0.640902  0.457756  1
  Fe  Fe158  1  0.603112  0.815106  0.435548  1
  Fe  Fe159  1  0.936512  0.990158  0.413153  1
  Fe  Fe160  1  0.245776  0.902493  0.427596  1
  Fe  Fe161  1  0.579197  0.076528  0.405531  1
  Fe  Fe162  1  0.912552  0.728040  0.449883  1
  Fe  Fe163  1  0.245845  0.552165  0.408720  1
  Fe  Fe164  1  0.579363  0.200926  0.453466  1
  Fe  Fe165  1  0.912702  0.376793  0.431071  1
  Fe  Fe166  1  0.269907  0.289241  0.438950  1
  Fe  Fe167  1  0.603265  0.463250  0.416772  1
  Fe  Fe168  1  0.936612  0.114720  0.461059  1
  Fe  Fe169  1  0.206538  0.203500  0.409734  1
  Fe  Fe170  1  0.539789  0.853360  0.454281  1
  Fe  Fe171  1  0.873260  0.029160  0.431942  1
  Fe  Fe172  1  0.309742  0.830689  0.413532  1
  Fe  Fe173  1  0.643053  0.480630  0.457969  1
  Fe  Fe174  1  0.976192  0.655613  0.435563  1
  Fe  Fe175  1  0.174720  0.547168  0.407387  1
  Fe  Fe176  1  0.508036  0.197973  0.451954  1
  Fe  Fe177  1  0.841391  0.373554  0.429616  1
  Fe  Fe178  1  0.174380  0.818622  0.436958  1
  Fe  Fe179  1  0.507748  0.993350  0.414639  1
  Fe  Fe180  1  0.841074  0.644283  0.459140  1
  Fe  Fe181  1  0.039596  0.011746  0.497685  1
  Fe  Fe182  1  0.372785  0.186857  0.475313  1
  Fe  Fe183  1  0.706166  0.836952  0.519806  1
  Fe  Fe184  1  0.142618  0.638619  0.501372  1
  Fe  Fe185  1  0.476014  0.813851  0.479020  1
  Fe  Fe186  1  0.809325  0.464387  0.523565  1
  Fe  Fe187  1  0.103189  0.290872  0.502218  1
  Fe  Fe188  1  0.436537  0.465966  0.479832  1
  Fe  Fe189  1  0.769874  0.116424  0.524435  1
  Fe  Fe190  1  0.079248  0.552759  0.472222  1
  Fe  Fe191  1  0.412569  0.203664  0.516542  1
  Fe  Fe192  1  0.745893  0.378157  0.494346  1
  Fe  Fe193  1  0.079356  0.677215  0.520143  1
  Fe  Fe194  1  0.412705  0.852308  0.497758  1
  Fe  Fe195  1  0.746020  0.026757  0.475541  1
  Fe  Fe196  1  0.103324  0.939516  0.483433  1
  Fe  Fe197  1  0.436645  0.590421  0.527754  1
  Fe  Fe198  1  0.770001  0.765023  0.505630  1
  Fe  Fe199  1  0.039880  0.329330  0.520956  1
  Fe  Fe200  1  0.373276  0.504561  0.498604  1
  Fe  Fe201  1  0.706569  0.678794  0.476411  1
  Fe  Fe202  1  0.143109  0.956323  0.524663  1
  Fe  Fe203  1  0.476297  0.131434  0.502291  1
  Fe  Fe204  1  0.809728  0.306228  0.480170  1
  Fe  Fe205  1  0.008081  0.673857  0.518643  1
  Fe  Fe206  1  0.341432  0.848801  0.496329  1
  Fe  Fe207  1  0.674756  0.023074  0.474148  1
  Fe  Fe208  1  0.007813  0.469323  0.481332  1
  Fe  Fe209  1  0.341138  0.120107  0.525828  1
  Fe  Fe210  1  0.674462  0.294379  0.503647  1
  Fe  Fe211  1  0.206166  0.836952  0.519806  1
  Fe  Fe212  1  0.539596  0.011746  0.497685  1
  Fe  Fe213  1  0.872785  0.186857  0.475313  1
  Fe  Fe214  1  0.309325  0.464387  0.523565  1
  Fe  Fe215  1  0.642618  0.638619  0.501372  1
  Fe  Fe216  1  0.976014  0.813851  0.479020  1
  Fe  Fe217  1  0.269874  0.116424  0.524435  1
  Fe  Fe218  1  0.603189  0.290872  0.502218  1
  Fe  Fe219  1  0.936537  0.465966  0.479832  1
  Fe  Fe220  1  0.245893  0.378157  0.494346  1
  Fe  Fe221  1  0.579248  0.552759  0.472222  1
  Fe  Fe222  1  0.912569  0.203664  0.516542  1
  Fe  Fe223  1  0.246020  0.026757  0.475541  1
  Fe  Fe224  1  0.579356  0.677215  0.520143  1
  Fe  Fe225  1  0.912705  0.852308  0.497758  1
  Fe  Fe226  1  0.270001  0.765023  0.505630  1
  Fe  Fe227  1  0.603324  0.939516  0.483433  1
  Fe  Fe228  1  0.936645  0.590421  0.527754  1
  Fe  Fe229  1  0.206569  0.678794  0.476411  1
  Fe  Fe230  1  0.539880  0.329330  0.520956  1
  Fe  Fe231  1  0.873276  0.504561  0.498604  1
  Fe  Fe232  1  0.309728  0.306228  0.480170  1
  Fe  Fe233  1  0.643109  0.956323  0.524663  1
  Fe  Fe234  1  0.976297  0.131434  0.502291  1
  Fe  Fe235  1  0.174756  0.023074  0.474148  1
  Fe  Fe236  1  0.508081  0.673857  0.518643  1
  Fe  Fe237  1  0.841432  0.848801  0.496329  1
  Fe  Fe238  1  0.174462  0.294379  0.503647  1
  Fe  Fe239  1  0.507813  0.469323  0.481332  1
  Fe  Fe240  1  0.841138  0.120107  0.525828  1
  Fe  Fe241  1  0.039702  0.487568  0.564413  1
  Fe  Fe242  1  0.372841  0.662551  0.542007  1
  Fe  Fe243  1  0.706152  0.312491  0.586444  1
  Fe  Fe244  1  0.142634  0.114020  0.568034  1
  Fe  Fe245  1  0.476105  0.289821  0.545694  1
  Fe  Fe246  1  0.809356  0.939680  0.590242  1
  Fe  Fe247  1  0.103192  0.766387  0.568905  1
  Fe  Fe248  1  0.436531  0.942254  0.546510  1
  Fe  Fe249  1  0.770049  0.591016  0.591256  1
  Fe  Fe250  1  0.079282  0.028461  0.538917  1
  Fe  Fe251  1  0.412628  0.679931  0.583204  1
  Fe  Fe252  1  0.745987  0.853940  0.561026  1
  Fe  Fe253  1  0.079381  0.153022  0.586823  1
  Fe  Fe254  1  0.412782  0.328074  0.564428  1
  Fe  Fe255  1  0.746116  0.502278  0.542220  1
  Fe  Fe256  1  0.103342  0.415141  0.550092  1
  Fe  Fe257  1  0.436697  0.066652  0.594444  1
  Fe  Fe258  1  0.770118  0.240687  0.572380  1
  Fe  Fe259  1  0.039901  0.804706  0.587697  1
  Fe  Fe260  1  0.373340  0.980251  0.565300  1
  Fe  Fe261  1  0.706629  0.154658  0.543095  1
  Fe  Fe262  1  0.143222  0.431665  0.591318  1
  Fe  Fe263  1  0.476296  0.607525  0.568966  1
  Fe  Fe264  1  0.809756  0.781878  0.546867  1
  Fe  Fe265  1  0.008145  0.149831  0.585336  1
  Fe  Fe266  1  0.341514  0.324559  0.563017  1
  Fe  Fe267  1  0.674820  0.498897  0.540836  1
  Fe  Fe268  1  0.007858  0.945207  0.548022  1
  Fe  Fe269  1  0.341174  0.596012  0.592589  1
  Fe  Fe270  1  0.674503  0.769627  0.570360  1
  Fe  Fe271  1  0.206152  0.312491  0.586444  1
  Fe  Fe272  1  0.539702  0.487568  0.564413  1
  Fe  Fe273  1  0.872841  0.662551  0.542007  1
  Fe  Fe274  1  0.309356  0.939680  0.590242  1
  Fe  Fe275  1  0.642634  0.114020  0.568034  1
  Fe  Fe276  1  0.976105  0.289821  0.545694  1
  Fe  Fe277  1  0.270049  0.591016  0.591256  1
  Fe  Fe278  1  0.603192  0.766387  0.568905  1
  Fe  Fe279  1  0.936531  0.942254  0.546510  1
  Fe  Fe280  1  0.245987  0.853940  0.561026  1
  Fe  Fe281  1  0.579282  0.028461  0.538917  1
  Fe  Fe282  1  0.912628  0.679931  0.583204  1
  Fe  Fe283  1  0.246116  0.502278  0.542220  1
  Fe  Fe284  1  0.579381  0.153022  0.586823  1
  Fe  Fe285  1  0.912782  0.328074  0.564428  1
  Fe  Fe286  1  0.270118  0.240687  0.572380  1
  Fe  Fe287  1  0.603342  0.415141  0.550092  1
  Fe  Fe288  1  0.936697  0.066652  0.594444  1
  Fe  Fe289  1  0.206629  0.154658  0.543095  1
  Fe  Fe290  1  0.539901  0.804706  0.587697  1
  Fe  Fe291  1  0.873340  0.980251  0.565300  1
  Fe  Fe292  1  0.309756  0.781878  0.546867  1
  Fe  Fe293  1  0.643222  0.431665  0.591318  1
  Fe  Fe294  1  0.976296  0.607525  0.568966  1
  Fe  Fe295  1  0.174820  0.498897  0.540836  1
  Fe  Fe296  1  0.508145  0.149831  0.585336  1
  Fe  Fe297  1  0.841514  0.324559  0.563017  1
  Fe  Fe298  1  0.174503  0.769627  0.570360  1
  Fe  Fe299  1  0.507858  0.945207  0.548022  1
  Fe  Fe300  1  0.841174  0.596012  0.592589  1
  Fe  Fe301  1  0.040136  0.963590  0.631303  1
  Fe  Fe302  1  0.372847  0.138627  0.608639  1
  Fe  Fe303  1  0.706491  0.788530  0.653072  1
  Fe  Fe304  1  0.142506  0.589022  0.634722  1
  Fe  Fe305  1  0.476291  0.766231  0.612344  1
  Fe  Fe306  1  0.809037  0.415902  0.657225  1
  Fe  Fe307  1  0.103307  0.241992  0.635608  1
  Fe  Fe308  1  0.436624  0.419645  0.613089  1
  Fe  Fe309  1  0.769924  0.069180  0.657695  1
  Fe  Fe310  1  0.079335  0.504044  0.605653  1
  Fe  Fe311  1  0.412861  0.155691  0.649796  1
  Fe  Fe312  1  0.746029  0.329945  0.627650  1
  Fe  Fe313  1  0.079070  0.630063  0.653840  1
  Fe  Fe314  1  0.412658  0.805819  0.631324  1
  Fe  Fe315  1  0.746193  0.977866  0.608864  1
  Fe  Fe316  1  0.103346  0.890423  0.616743  1
  Fe  Fe317  1  0.436742  0.544195  0.660953  1
  Fe  Fe318  1  0.770013  0.716181  0.638932  1
  Fe  Fe319  1  0.039879  0.280565  0.654412  1
  Fe  Fe320  1  0.373523  0.457376  0.631934  1
  Fe  Fe321  1  0.706626  0.630432  0.609760  1
  Fe  Fe322  1  0.143732  0.906685  0.657687  1
  Fe  Fe323  1  0.476426  0.084714  0.635597  1
  Fe  Fe324  1  0.809970  0.257721  0.613583  1
  Fe  Fe325  1  0.008168  0.625558  0.652051  1
  Fe  Fe326  1  0.341608  0.800861  0.629760  1
  Fe  Fe327  1  0.674818  0.974273  0.607485  1
  Fe  Fe328  1  0.008026  0.420987  0.614654  1
  Fe  Fe329  1  0.341085  0.072960  0.659061  1
  Fe  Fe330  1  0.674454  0.245015  0.637004  1
  Fe  Fe331  1  0.206491  0.788530  0.653072  1
  Fe  Fe332  1  0.540136  0.963590  0.631303  1
  Fe  Fe333  1  0.872847  0.138627  0.608639  1
  Fe  Fe334  1  0.309037  0.415902  0.657225  1
  Fe  Fe335  1  0.642506  0.589022  0.634722  1
  Fe  Fe336  1  0.976291  0.766231  0.612344  1
  Fe  Fe337  1  0.269924  0.069180  0.657695  1
  Fe  Fe338  1  0.603307  0.241992  0.635608  1
  Fe  Fe339  1  0.936624  0.419645  0.613089  1
  Fe  Fe340  1  0.246029  0.329945  0.627650  1
  Fe  Fe341  1  0.579335  0.504044  0.605653  1
  Fe  Fe342  1  0.912861  0.155691  0.649796  1
  Fe  Fe343  1  0.246193  0.977866  0.608864  1
  Fe  Fe344  1  0.579070  0.630063  0.653840  1
  Fe  Fe345  1  0.912658  0.805819  0.631324  1
  Fe  Fe346  1  0.270013  0.716181  0.638932  1
  Fe  Fe347  1  0.603346  0.890423  0.616743  1
  Fe  Fe348  1  0.936742  0.544195  0.660953  1
  Fe  Fe349  1  0.206626  0.630432  0.609760  1
  Fe  Fe350  1  0.539879  0.280565  0.654412  1
  Fe  Fe351  1  0.873523  0.457376  0.631934  1
  Fe  Fe352  1  0.309970  0.257721  0.613583  1
  Fe  Fe353  1  0.643732  0.906685  0.657687  1
  Fe  Fe354  1  0.976426  0.084714  0.635597  1
  Fe  Fe355  1  0.174818  0.974273  0.607485  1
  Fe  Fe356  1  0.508168  0.625558  0.652051  1
  Fe  Fe357  1  0.841608  0.800861  0.629760  1
  Fe  Fe358  1  0.174454  0.245015  0.637004  1
  Fe  Fe359  1  0.508026  0.420987  0.614654  1
  Fe  Fe360  1  0.841085  0.072960  0.659061  1
  Fe  Fe361  1  0.043162  0.441419  0.699885  1
  Fe  Fe362  1  0.371815  0.612889  0.674604  1
  Fe  Fe363  1  0.708423  0.267185  0.720463  1
  Fe  Fe364  1  0.143808  0.069394  0.701575  1
  Fe  Fe365  1  0.477808  0.249140  0.679041  1
  Fe  Fe366  1  0.806901  0.900586  0.724351  1
  Fe  Fe367  1  0.102237  0.729787  0.700565  1
  Fe  Fe368  1  0.436956  0.902800  0.679280  1
  Fe  Fe369  1  0.767352  0.546313  0.723523  1
  Fe  Fe370  1  0.078678  0.975188  0.672785  1
  Fe  Fe371  1  0.412672  0.635751  0.715899  1
  Fe  Fe372  1  0.745381  0.804176  0.694116  1
  Fe  Fe373  1  0.079880  0.101011  0.720058  1
  Fe  Fe374  1  0.413372  0.281747  0.697584  1
  Fe  Fe375  1  0.745905  0.453176  0.675597  1
  Fe  Fe376  1  0.103366  0.366396  0.682778  1
  Fe  Fe377  1  0.436194  0.025317  0.727316  1
  Fe  Fe378  1  0.770560  0.190802  0.706170  1
  Fe  Fe379  1  0.037495  0.753973  0.721333  1
  Fe  Fe380  1  0.373048  0.931616  0.698962  1
  Fe  Fe381  1  0.706811  0.105830  0.676398  1
  Fe  Fe382  1  0.143098  0.388135  0.724875  1
  Fe  Fe383  1  0.475577  0.563779  0.702360  1
  Fe  Fe384  1  0.809727  0.732561  0.680244  1
  Fe  Fe385  1  0.008074  0.101601  0.718447  1
  Fe  Fe386  1  0.341244  0.276970  0.696073  1
  Fe  Fe387  1  0.674814  0.447394  0.674149  1
  Fe  Fe388  1  0.007994  0.896774  0.681504  1
  Fe  Fe389  1  0.340349  0.548733  0.725821  1
  Fe  Fe390  1  0.673484  0.719886  0.705519  1
  Fe  Fe391  1  0.208423  0.267185  0.720463  1
  Fe  Fe392  1  0.543162  0.441419  0.699885  1
  Fe  Fe393  1  0.871815  0.612889  0.674604  1
  Fe  Fe394  1  0.306901  0.900586  0.724351  1
  Fe  Fe395  1  0.643808  0.069394  0.701575  1
  Fe  Fe396  1  0.977808  0.249140  0.679041  1
  Fe  Fe397  1  0.267352  0.546313  0.723523  1
  Fe  Fe398  1  0.602237  0.729787  0.700565  1
  Fe  Fe399  1  0.936956  0.902800  0.679280  1
  Fe  Fe400  1  0.245381  0.804176  0.694116  1
  Fe  Fe401  1  0.578678  0.975188  0.672785  1
  Fe  Fe402  1  0.912672  0.635751  0.715899  1
  Fe  Fe403  1  0.245905  0.453176  0.675597  1
  Fe  Fe404  1  0.579880  0.101011  0.720058  1
  Fe  Fe405  1  0.913372  0.281747  0.697584  1
  Fe  Fe406  1  0.270560  0.190802  0.706170  1
  Fe  Fe407  1  0.603366  0.366396  0.682778  1
  Fe  Fe408  1  0.936194  0.025317  0.727316  1
  Fe  Fe409  1  0.206811  0.105830  0.676398  1
  Fe  Fe410  1  0.537495  0.753973  0.721333  1
  Fe  Fe411  1  0.873048  0.931616  0.698962  1
  Fe  Fe412  1  0.309727  0.732561  0.680244  1
  Fe  Fe413  1  0.643098  0.388135  0.724875  1
  Fe  Fe414  1  0.975577  0.563779  0.702360  1
  Fe  Fe415  1  0.174814  0.447394  0.674149  1
  Fe  Fe416  1  0.508074  0.101601  0.718447  1
  Fe  Fe417  1  0.841244  0.276970  0.696073  1
  Fe  Fe418  1  0.173484  0.719886  0.705519  1
  Fe  Fe419  1  0.507994  0.896774  0.681504  1
  Fe  Fe420  1  0.840349  0.548733  0.725821  1
  C  C421  1  0.134770  0.774068  0.273286  1
  C  C422  1  0.468911  0.434483  0.316310  1
  C  C423  1  0.802110  0.605559  0.294993  1
  C  C424  1  0.048607  0.306074  0.289354  1
  C  C425  1  0.386518  0.490791  0.267424  1
  C  C426  1  0.714431  0.137536  0.311351  1
  C  C427  1  0.046724  0.853167  0.283094  1
  C  C428  1  0.380471  0.509538  0.327331  1
  C  C429  1  0.714950  0.684178  0.304874  1
  C  C430  1  0.134615  0.802187  0.333301  1
  C  C431  1  0.467454  0.975351  0.310710  1
  C  C432  1  0.801098  0.150829  0.288689  1
  C  C433  1  0.302110  0.605559  0.294993  1
  C  C434  1  0.634770  0.774068  0.273286  1
  C  C435  1  0.968911  0.434483  0.316310  1
  C  C436  1  0.214431  0.137536  0.311351  1
  C  C437  1  0.548607  0.306074  0.289354  1
  C  C438  1  0.886518  0.490791  0.267424  1
  C  C439  1  0.214950  0.684178  0.304874  1
  C  C440  1  0.546724  0.853167  0.283094  1
  C  C441  1  0.880471  0.509538  0.327331  1
  C  C442  1  0.301098  0.150829  0.288689  1
  C  C443  1  0.634615  0.802187  0.333301  1
  C  C444  1  0.967454  0.975351  0.310710  1
  C  C445  1  0.134701  0.252784  0.338936  1
  C  C446  1  0.467956  0.905861  0.383424  1
  C  C447  1  0.801174  0.080216  0.361461  1
  C  C448  1  0.047794  0.785589  0.355851  1
  C  C449  1  0.381127  0.965421  0.333435  1
  C  C450  1  0.714149  0.612750  0.377689  1
  C  C451  1  0.047367  0.332617  0.349775  1
  C  C452  1  0.381143  0.985885  0.394067  1
  C  C453  1  0.714494  0.160050  0.371868  1
  C  C454  1  0.134667  0.277399  0.399828  1
  C  C455  1  0.467925  0.452837  0.377445  1
  C  C456  1  0.801513  0.628262  0.355417  1
  C  C457  1  0.301174  0.080216  0.361461  1
  C  C458  1  0.634701  0.252784  0.338936  1
  C  C459  1  0.967956  0.905861  0.383424  1
  C  C460  1  0.214149  0.612750  0.377689  1
  C  C461  1  0.547794  0.785589  0.355851  1
  C  C462  1  0.881127  0.965421  0.333435  1
  C  C463  1  0.214494  0.160050  0.371868  1
  C  C464  1  0.547367  0.332617  0.349775  1
  C  C465  1  0.881143  0.985885  0.394067  1
  C  C466  1  0.301513  0.628262  0.355417  1
  C  C467  1  0.634667  0.277399  0.399828  1
  C  C468  1  0.967925  0.452837  0.377445  1
  C  C469  1  0.134632  0.730112  0.405906  1
  C  C470  1  0.468061  0.381359  0.450164  1
  C  C471  1  0.801235  0.556149  0.428071  1
  C  C472  1  0.047834  0.262716  0.422436  1
  C  C473  1  0.381134  0.438973  0.400077  1
  C  C474  1  0.714379  0.088348  0.444547  1
  C  C475  1  0.047718  0.809918  0.416414  1
  C  C476  1  0.381131  0.461219  0.460726  1
  C  C477  1  0.714461  0.635683  0.438529  1
  C  C478  1  0.134728  0.753420  0.466546  1
  C  C479  1  0.468031  0.928558  0.444200  1
  C  C480  1  0.801404  0.103523  0.422065  1
  C  C481  1  0.301235  0.556149  0.428071  1
  C  C482  1  0.634632  0.730112  0.405906  1
  C  C483  1  0.968061  0.381359  0.450164  1
  C  C484  1  0.214379  0.088348  0.444547  1
  C  C485  1  0.547834  0.262716  0.422436  1
  C  C486  1  0.881134  0.438973  0.400077  1
  C  C487  1  0.214461  0.635683  0.438529  1
  C  C488  1  0.547718  0.809918  0.416414  1
  C  C489  1  0.881131  0.461219  0.460726  1
  C  C490  1  0.301404  0.103523  0.422065  1
  C  C491  1  0.634728  0.753420  0.466546  1
  C  C492  1  0.968031  0.928558  0.444200  1
  C  C493  1  0.134731  0.206288  0.472558  1
  C  C494  1  0.468085  0.857160  0.516892  1
  C  C495  1  0.801374  0.031863  0.494755  1
  C  C496  1  0.047827  0.738821  0.489101  1
  C  C497  1  0.381106  0.914032  0.466753  1
  C  C498  1  0.714463  0.564097  0.511244  1
  C  C499  1  0.047809  0.286021  0.483084  1
  C  C500  1  0.381163  0.936893  0.527418  1
  C  C501  1  0.714520  0.111318  0.505221  1
  C  C502  1  0.134788  0.229148  0.533223  1
  C  C503  1  0.468067  0.404359  0.510874  1
  C  C504  1  0.801431  0.579083  0.488732  1
  C  C505  1  0.301374  0.031863  0.494755  1
  C  C506  1  0.634731  0.206288  0.472558  1
  C  C507  1  0.968085  0.857160  0.516892  1
  C  C508  1  0.214463  0.564097  0.511244  1
  C  C509  1  0.547827  0.738821  0.489101  1
  C  C510  1  0.881106  0.914032  0.466753  1
  C  C511  1  0.214520  0.111318  0.505221  1
  C  C512  1  0.547809  0.286021  0.483084  1
  C  C513  1  0.881163  0.936893  0.527418  1
  C  C514  1  0.301431  0.579083  0.488732  1
  C  C515  1  0.634788  0.229148  0.533223  1
  C  C516  1  0.968067  0.404359  0.510874  1
  C  C517  1  0.134763  0.681961  0.539249  1
  C  C518  1  0.468176  0.333263  0.583561  1
  C  C519  1  0.801432  0.507497  0.561447  1
  C  C520  1  0.047862  0.214622  0.555776  1
  C  C521  1  0.381165  0.389761  0.533429  1
  C  C522  1  0.714490  0.039657  0.577911  1
  C  C523  1  0.047833  0.761821  0.549812  1
  C  C524  1  0.381262  0.413069  0.594070  1
  C  C525  1  0.714659  0.587032  0.571905  1
  C  C526  1  0.134760  0.704207  0.599899  1
  C  C527  1  0.468060  0.880464  0.577540  1
  C  C528  1  0.801515  0.054833  0.555429  1
  C  C529  1  0.301432  0.507497  0.561447  1
  C  C530  1  0.634763  0.681961  0.539249  1
  C  C531  1  0.968176  0.333263  0.583561  1
  C  C532  1  0.214490  0.039657  0.577911  1
  C  C533  1  0.547862  0.214622  0.555776  1
  C  C534  1  0.881165  0.389761  0.533429  1
  C  C535  1  0.214659  0.587032  0.571905  1
  C  C536  1  0.547833  0.761821  0.549812  1
  C  C537  1  0.881262  0.413069  0.594070  1
  C  C538  1  0.301515  0.054833  0.555429  1
  C  C539  1  0.634760  0.704207  0.599899  1
  C  C540  1  0.968060  0.880464  0.577540  1
  C  C541  1  0.134751  0.157295  0.605909  1
  C  C542  1  0.468527  0.810564  0.650200  1
  C  C543  1  0.801400  0.983131  0.628107  1
  C  C544  1  0.047969  0.690343  0.622531  1
  C  C545  1  0.381227  0.865782  0.600148  1
  C  C546  1  0.714380  0.514918  0.644558  1
  C  C547  1  0.047938  0.237319  0.616551  1
  C  C548  1  0.381193  0.890396  0.661040  1
  C  C549  1  0.714720  0.062964  0.638515  1
  C  C550  1  0.134766  0.177759  0.666541  1
  C  C551  1  0.468100  0.357592  0.644125  1
  C  C552  1  0.801745  0.530430  0.622286  1
  C  C553  1  0.301400  0.983131  0.628107  1
  C  C554  1  0.634751  0.157295  0.605909  1
  C  C555  1  0.968527  0.810564  0.650200  1
  C  C556  1  0.214380  0.514918  0.644558  1
  C  C557  1  0.547969  0.690343  0.622531  1
  C  C558  1  0.881227  0.865782  0.600148  1
  C  C559  1  0.214720  0.062964  0.638515  1
  C  C560  1  0.547938  0.237319  0.616551  1
  C  C561  1  0.881193  0.890396  0.661040  1
  C  C562  1  0.301745  0.530430  0.622286  1
  C  C563  1  0.634766  0.177759  0.666541  1
  C  C564  1  0.968100  0.357592  0.644125  1
  C  C565  1  0.135423  0.633642  0.672645  1
  C  C566  1  0.469170  0.290014  0.716882  1
  C  C567  1  0.800944  0.459002  0.695102  1
  C  C568  1  0.048440  0.167830  0.689266  1
  C  C569  1  0.381279  0.340993  0.666675  1
  C  C570  1  0.714796  0.992352  0.711286  1
  C  C571  1  0.046983  0.708697  0.683666  1
  C  C572  1  0.381123  0.369112  0.726689  1
  C  C573  1  0.713783  0.537621  0.704983  1
  C  C574  1  0.129376  0.652389  0.732552  1
  C  C575  1  0.467287  0.837106  0.710621  1
  C  C576  1  0.801462  0.005645  0.688625  1
  C  C577  1  0.300944  0.459002  0.695102  1
  C  C578  1  0.635423  0.633642  0.672645  1
  C  C579  1  0.969170  0.290014  0.716882  1
  C  C580  1  0.214796  0.992352  0.711286  1
  C  C581  1  0.548440  0.167830  0.689266  1
  C  C582  1  0.881279  0.340993  0.666675  1
  C  C583  1  0.213783  0.537621  0.704983  1
  C  C584  1  0.546983  0.708697  0.683666  1
  C  C585  1  0.881123  0.369112  0.726689  1
  C  C586  1  0.301462  0.005645  0.688625  1
  C  C587  1  0.629376  0.652389  0.732552  1
  C  C588  1  0.967287  0.837106  0.710621  1
