# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.95756991
_cell_length_b   15.31989934
_cell_length_c   49.25695005
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   51.13060895
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe432 C144'
_cell_volume   11725.5575265
_cell_formula_units_Z   144
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  0.290727  0.190147  0.329620  1
  Fe  Fe2  1  0.957394  0.190147  0.329620  1
  Fe  Fe3  1  0.244745  0.956431  0.365850  1
  Fe  Fe4  1  0.624061  0.190147  0.329620  1
  Fe  Fe5  1  0.911412  0.956431  0.365850  1
  Fe  Fe6  1  0.339702  0.419378  0.289117  1
  Fe  Fe7  1  0.578078  0.956431  0.365850  1
  Fe  Fe8  1  0.006368  0.419378  0.289117  1
  Fe  Fe9  1  0.673035  0.419378  0.289117  1
  Fe  Fe10  1  0.381579  0.307612  0.388180  1
  Fe  Fe11  1  0.048245  0.307612  0.388180  1
  Fe  Fe12  1  0.480707  0.771309  0.314961  1
  Fe  Fe13  1  0.714912  0.307612  0.388180  1
  Fe  Fe14  1  0.147373  0.771309  0.314961  1
  Fe  Fe15  1  0.430845  0.539124  0.350687  1
  Fe  Fe16  1  0.814040  0.771309  0.314961  1
  Fe  Fe17  1  0.097512  0.539124  0.350687  1
  Fe  Fe18  1  0.764179  0.539124  0.350687  1
  Fe  Fe19  1  0.366251  0.260135  0.312771  1
  Fe  Fe20  1  0.032918  0.260135  0.312771  1
  Fe  Fe21  1  0.314530  0.034194  0.353127  1
  Fe  Fe22  1  0.699584  0.260135  0.312771  1
  Fe  Fe23  1  0.981197  0.034194  0.353127  1
  Fe  Fe24  1  0.411398  0.499812  0.277223  1
  Fe  Fe25  1  0.647864  0.034194  0.353127  1
  Fe  Fe26  1  0.078065  0.499812  0.277223  1
  Fe  Fe27  1  0.744732  0.499812  0.277223  1
  Fe  Fe28  1  0.454419  0.383558  0.375348  1
  Fe  Fe29  1  0.121086  0.383558  0.375348  1
  Fe  Fe30  1  0.551641  0.844433  0.298999  1
  Fe  Fe31  1  0.787752  0.383558  0.375348  1
  Fe  Fe32  1  0.218307  0.844433  0.298999  1
  Fe  Fe33  1  0.502798  0.617581  0.338510  1
  Fe  Fe34  1  0.884974  0.844433  0.298999  1
  Fe  Fe35  1  0.169465  0.617581  0.338510  1
  Fe  Fe36  1  0.836131  0.617581  0.338510  1
  Fe  Fe37  1  0.466674  0.060782  0.320879  1
  Fe  Fe38  1  0.133341  0.060782  0.320879  1
  Fe  Fe39  1  0.418908  0.832166  0.357706  1
  Fe  Fe40  1  0.800007  0.060782  0.320879  1
  Fe  Fe41  1  0.085574  0.832166  0.357706  1
  Fe  Fe42  1  0.513477  0.297503  0.283990  1
  Fe  Fe43  1  0.752241  0.832166  0.357706  1
  Fe  Fe44  1  0.180143  0.297503  0.283990  1
  Fe  Fe45  1  0.846810  0.297503  0.283990  1
  Fe  Fe46  1  0.339082  0.132257  0.285655  1
  Fe  Fe47  1  0.005749  0.132257  0.285655  1
  Fe  Fe48  1  0.295358  0.900499  0.321787  1
  Fe  Fe49  1  0.672416  0.132257  0.285655  1
  Fe  Fe50  1  0.962025  0.900499  0.321787  1
  Fe  Fe51  1  0.252329  0.669562  0.358169  1
  Fe  Fe52  1  0.628692  0.900499  0.321787  1
  Fe  Fe53  1  0.918996  0.669562  0.358169  1
  Fe  Fe54  1  0.585662  0.669562  0.358169  1
  Fe  Fe55  1  0.471041  0.244312  0.348094  1
  Fe  Fe56  1  0.137708  0.244312  0.348094  1
  Fe  Fe57  1  0.429371  0.009975  0.385194  1
  Fe  Fe58  1  0.804374  0.244312  0.348094  1
  Fe  Fe59  1  0.096037  0.009975  0.385194  1
  Fe  Fe60  1  0.525996  0.475600  0.310679  1
  Fe  Fe61  1  0.762704  0.009975  0.385194  1
  Fe  Fe62  1  0.192663  0.475600  0.310679  1
  Fe  Fe63  1  0.859330  0.475600  0.310679  1
  Fe  Fe64  1  0.317244  0.431260  0.339548  1
  Fe  Fe65  1  0.983911  0.431260  0.339548  1
  Fe  Fe66  1  0.272092  0.191548  0.378035  1
  Fe  Fe67  1  0.650578  0.431260  0.339548  1
  Fe  Fe68  1  0.938759  0.191548  0.378035  1
  Fe  Fe69  1  0.366360  0.665549  0.302401  1
  Fe  Fe70  1  0.605426  0.191548  0.378035  1
  Fe  Fe71  1  0.033027  0.665549  0.302401  1
  Fe  Fe72  1  0.699694  0.665549  0.302401  1
  Fe  Fe73  1  0.279759  0.510435  0.383306  1
  Fe  Fe74  1  0.946426  0.510435  0.383306  1
  Fe  Fe75  1  0.376405  0.968641  0.310727  1
  Fe  Fe76  1  0.613093  0.510435  0.383306  1
  Fe  Fe77  1  0.043072  0.968641  0.310727  1
  Fe  Fe78  1  0.329534  0.740532  0.346445  1
  Fe  Fe79  1  0.709739  0.968641  0.310727  1
  Fe  Fe80  1  0.996201  0.740532  0.346445  1
  Fe  Fe81  1  0.662868  0.740532  0.346445  1
  Fe  Fe82  1  0.542692  0.142004  0.310111  1
  Fe  Fe83  1  0.209358  0.142004  0.310111  1
  Fe  Fe84  1  0.496599  0.905264  0.346161  1
  Fe  Fe85  1  0.876025  0.142004  0.310111  1
  Fe  Fe86  1  0.163265  0.905264  0.346161  1
  Fe  Fe87  1  0.447968  0.670604  0.382630  1
  Fe  Fe88  1  0.829932  0.905264  0.346161  1
  Fe  Fe89  1  0.114635  0.670604  0.382630  1
  Fe  Fe90  1  0.781301  0.670604  0.382630  1
  Fe  Fe91  1  0.275530  0.328937  0.355726  1
  Fe  Fe92  1  0.942197  0.328937  0.355726  1
  Fe  Fe93  1  0.376853  0.800112  0.282363  1
  Fe  Fe94  1  0.608863  0.328937  0.355726  1
  Fe  Fe95  1  0.043519  0.800112  0.282363  1
  Fe  Fe96  1  0.321498  0.565644  0.319046  1
  Fe  Fe97  1  0.710186  0.800112  0.282363  1
  Fe  Fe98  1  0.988164  0.565644  0.319046  1
  Fe  Fe99  1  0.654831  0.565644  0.319046  1
  Fe  Fe100  1  0.425805  0.146863  0.363329  1
  Fe  Fe101  1  0.092472  0.146863  0.363329  1
  Fe  Fe102  1  0.524549  0.619171  0.289445  1
  Fe  Fe103  1  0.759139  0.146863  0.363329  1
  Fe  Fe104  1  0.191216  0.619171  0.289445  1
  Fe  Fe105  1  0.473297  0.381579  0.326370  1
  Fe  Fe106  1  0.857882  0.619171  0.289445  1
  Fe  Fe107  1  0.139964  0.381579  0.326370  1
  Fe  Fe108  1  0.806630  0.381579  0.326370  1
  Fe  Fe109  1  0.149631  0.489292  0.438744  1
  Fe  Fe110  1  0.816298  0.489292  0.438744  1
  Fe  Fe111  1  0.101055  0.256707  0.475796  1
  Fe  Fe112  1  0.482964  0.489292  0.438744  1
  Fe  Fe113  1  0.767722  0.256707  0.475796  1
  Fe  Fe114  1  0.197662  0.722674  0.402148  1
  Fe  Fe115  1  0.434388  0.256707  0.475796  1
  Fe  Fe116  1  0.864328  0.722673  0.402148  1
  Fe  Fe117  1  0.530995  0.722674  0.402148  1
  Fe  Fe118  1  0.236949  0.608043  0.499181  1
  Fe  Fe119  1  0.903615  0.608043  0.499181  1
  Fe  Fe120  1  0.333820  0.073889  0.425178  1
  Fe  Fe121  1  0.570282  0.608043  0.499181  1
  Fe  Fe122  1  0.000487  0.073889  0.425178  1
  Fe  Fe123  1  0.285501  0.840825  0.462208  1
  Fe  Fe124  1  0.667154  0.073889  0.425178  1
  Fe  Fe125  1  0.952167  0.840825  0.462208  1
  Fe  Fe126  1  0.618834  0.840825  0.462208  1
  Fe  Fe127  1  0.221768  0.566727  0.426604  1
  Fe  Fe128  1  0.888435  0.566727  0.426604  1
  Fe  Fe129  1  0.173389  0.333935  0.463644  1
  Fe  Fe130  1  0.555102  0.566727  0.426604  1
  Fe  Fe131  1  0.840055  0.333935  0.463644  1
  Fe  Fe132  1  0.269175  0.799998  0.389797  1
  Fe  Fe133  1  0.506722  0.333935  0.463644  1
  Fe  Fe134  1  0.935842  0.799998  0.389797  1
  Fe  Fe135  1  0.602509  0.799998  0.389797  1
  Fe  Fe136  1  0.309334  0.685256  0.486972  1
  Fe  Fe137  1  0.976001  0.685256  0.486972  1
  Fe  Fe138  1  0.405663  0.151379  0.412949  1
  Fe  Fe139  1  0.642667  0.685256  0.486972  1
  Fe  Fe140  1  0.072330  0.151379  0.412949  1
  Fe  Fe141  1  0.357573  0.918320  0.450030  1
  Fe  Fe142  1  0.738997  0.151379  0.412949  1
  Fe  Fe143  1  0.024240  0.918320  0.450030  1
  Fe  Fe144  1  0.690907  0.918320  0.450030  1
  Fe  Fe145  1  0.326445  0.358502  0.431844  1
  Fe  Fe146  1  0.993112  0.358502  0.431844  1
  Fe  Fe147  1  0.278681  0.123781  0.468974  1
  Fe  Fe148  1  0.659778  0.358502  0.431844  1
  Fe  Fe149  1  0.945347  0.123781  0.468974  1
  Fe  Fe150  1  0.373359  0.594487  0.394616  1
  Fe  Fe151  1  0.612014  0.123781  0.468974  1
  Fe  Fe152  1  0.040026  0.594487  0.394616  1
  Fe  Fe153  1  0.706693  0.594487  0.394616  1
  Fe  Fe154  1  0.204690  0.436492  0.394878  1
  Fe  Fe155  1  0.871356  0.436492  0.394878  1
  Fe  Fe156  1  0.158324  0.204217  0.432308  1
  Fe  Fe157  1  0.538023  0.436492  0.394878  1
  Fe  Fe158  1  0.824990  0.204217  0.432308  1
  Fe  Fe159  1  0.110912  0.971520  0.469610  1
  Fe  Fe160  1  0.491657  0.204217  0.432308  1
  Fe  Fe161  1  0.777579  0.971520  0.469610  1
  Fe  Fe162  1  0.444246  0.971520  0.469610  1
  Fe  Fe163  1  0.340692  0.543096  0.458621  1
  Fe  Fe164  1  0.007359  0.543096  0.458621  1
  Fe  Fe165  1  0.293207  0.310242  0.495642  1
  Fe  Fe166  1  0.674026  0.543096  0.458621  1
  Fe  Fe167  1  0.959874  0.310242  0.495642  1
  Fe  Fe168  1  0.385800  0.776219  0.421845  1
  Fe  Fe169  1  0.626541  0.310242  0.495642  1
  Fe  Fe170  1  0.052467  0.776219  0.421845  1
  Fe  Fe171  1  0.719133  0.776219  0.421845  1
  Fe  Fe172  1  0.181177  0.716033  0.453621  1
  Fe  Fe173  1  0.847843  0.716033  0.453621  1
  Fe  Fe174  1  0.132912  0.482688  0.490868  1
  Fe  Fe175  1  0.514510  0.716033  0.453621  1
  Fe  Fe176  1  0.799579  0.482688  0.490868  1
  Fe  Fe177  1  0.227927  0.951803  0.416123  1
  Fe  Fe178  1  0.466245  0.482688  0.490868  1
  Fe  Fe179  1  0.894593  0.951803  0.416123  1
  Fe  Fe180  1  0.561260  0.951803  0.416123  1
  Fe  Fe181  1  0.131549  0.818657  0.493893  1
  Fe  Fe182  1  0.798215  0.818657  0.493893  1
  Fe  Fe183  1  0.229887  0.280438  0.420219  1
  Fe  Fe184  1  0.464882  0.818657  0.493893  1
  Fe  Fe185  1  0.896554  0.280438  0.420219  1
  Fe  Fe186  1  0.180387  0.050527  0.457013  1
  Fe  Fe187  1  0.563220  0.280438  0.420219  1
  Fe  Fe188  1  0.847053  0.050527  0.457013  1
  Fe  Fe189  1  0.513720  0.050527  0.457013  1
  Fe  Fe190  1  0.397824  0.436704  0.419378  1
  Fe  Fe191  1  0.064491  0.436704  0.419378  1
  Fe  Fe192  1  0.348121  0.203542  0.456315  1
  Fe  Fe193  1  0.731158  0.436704  0.419378  1
  Fe  Fe194  1  0.014788  0.203542  0.456315  1
  Fe  Fe195  1  0.299119  0.970507  0.493229  1
  Fe  Fe196  1  0.681455  0.203542  0.456315  1
  Fe  Fe197  1  0.965786  0.970507  0.493229  1
  Fe  Fe198  1  0.632453  0.970507  0.493229  1
  Fe  Fe199  1  0.117445  0.631761  0.467073  1
  Fe  Fe200  1  0.784112  0.631761  0.467073  1
  Fe  Fe201  1  0.218865  0.097022  0.393018  1
  Fe  Fe202  1  0.450779  0.631761  0.467073  1
  Fe  Fe203  1  0.885532  0.097022  0.393018  1
  Fe  Fe204  1  0.167832  0.864391  0.430042  1
  Fe  Fe205  1  0.552199  0.097022  0.393018  1
  Fe  Fe206  1  0.834498  0.864391  0.430042  1
  Fe  Fe207  1  0.501165  0.864391  0.430042  1
  Fe  Fe208  1  0.277793  0.458504  0.471997  1
  Fe  Fe209  1  0.944460  0.458504  0.471997  1
  Fe  Fe210  1  0.377845  0.916578  0.399686  1
  Fe  Fe211  1  0.611127  0.458504  0.471997  1
  Fe  Fe212  1  0.044511  0.916578  0.399686  1
  Fe  Fe213  1  0.327651  0.688400  0.435556  1
  Fe  Fe214  1  0.711178  0.916578  0.399686  1
  Fe  Fe215  1  0.994318  0.688400  0.435556  1
  Fe  Fe216  1  0.660985  0.688400  0.435556  1
  Fe  Fe217  1  0.004192  0.790949  0.549819  1
  Fe  Fe218  1  0.670859  0.790949  0.549819  1
  Fe  Fe219  1  0.956102  0.557890  0.586900  1
  Fe  Fe220  1  0.337525  0.790949  0.549819  1
  Fe  Fe221  1  0.622768  0.557890  0.586900  1
  Fe  Fe222  1  0.052431  0.024013  0.512877  1
  Fe  Fe223  1  0.289435  0.557890  0.586900  1
  Fe  Fe224  1  0.719098  0.024013  0.512877  1
  Fe  Fe225  1  0.385765  0.024013  0.512877  1
  Fe  Fe226  1  0.092589  0.909270  0.610052  1
  Fe  Fe227  1  0.759256  0.909270  0.610052  1
  Fe  Fe228  1  0.188376  0.375334  0.536205  1
  Fe  Fe229  1  0.425922  0.909270  0.610052  1
  Fe  Fe230  1  0.855043  0.375334  0.536205  1
  Fe  Fe231  1  0.139996  0.142542  0.573245  1
  Fe  Fe232  1  0.521710  0.375334  0.536205  1
  Fe  Fe233  1  0.806663  0.142542  0.573245  1
  Fe  Fe234  1  0.473330  0.142542  0.573245  1
  Fe  Fe235  1  0.076264  0.868443  0.537641  1
  Fe  Fe236  1  0.742931  0.868443  0.537641  1
  Fe  Fe237  1  0.027945  0.635379  0.574671  1
  Fe  Fe238  1  0.409598  0.868443  0.537641  1
  Fe  Fe239  1  0.694612  0.635379  0.574671  1
  Fe  Fe240  1  0.124817  0.101226  0.500668  1
  Fe  Fe241  1  0.361278  0.635379  0.574671  1
  Fe  Fe242  1  0.791483  0.101226  0.500668  1
  Fe  Fe243  1  0.458150  0.101226  0.500668  1
  Fe  Fe244  1  0.164103  0.986596  0.597701  1
  Fe  Fe245  1  0.830770  0.986596  0.597701  1
  Fe  Fe246  1  0.260710  0.452561  0.524053  1
  Fe  Fe247  1  0.497437  0.986596  0.597701  1
  Fe  Fe248  1  0.927377  0.452562  0.524053  1
  Fe  Fe249  1  0.212134  0.219977  0.561105  1
  Fe  Fe250  1  0.594043  0.452562  0.524053  1
  Fe  Fe251  1  0.878801  0.219977  0.561105  1
  Fe  Fe252  1  0.545467  0.219977  0.561105  1
  Fe  Fe253  1  0.181379  0.658742  0.542836  1
  Fe  Fe254  1  0.848045  0.658742  0.542836  1
  Fe  Fe255  1  0.131878  0.428830  0.579630  1
  Fe  Fe256  1  0.514712  0.658742  0.542836  1
  Fe  Fe257  1  0.798544  0.428831  0.579630  1
  Fe  Fe258  1  0.230216  0.890612  0.505956  1
  Fe  Fe259  1  0.465211  0.428830  0.579630  1
  Fe  Fe260  1  0.896883  0.890612  0.505956  1
  Fe  Fe261  1  0.563550  0.890612  0.505956  1
  Fe  Fe262  1  0.062646  0.738761  0.506620  1
  Fe  Fe263  1  0.729313  0.738761  0.506620  1
  Fe  Fe264  1  0.013644  0.505727  0.543534  1
  Fe  Fe265  1  0.395979  0.738761  0.506620  1
  Fe  Fe266  1  0.680310  0.505727  0.543534  1
  Fe  Fe267  1  0.963941  0.272564  0.580471  1
  Fe  Fe268  1  0.346977  0.505727  0.543534  1
  Fe  Fe269  1  0.630608  0.272564  0.580471  1
  Fe  Fe270  1  0.297274  0.272564  0.580471  1
  Fe  Fe271  1  0.193933  0.844878  0.569807  1
  Fe  Fe272  1  0.860600  0.844878  0.569807  1
  Fe  Fe273  1  0.142900  0.612247  0.606831  1
  Fe  Fe274  1  0.527267  0.844878  0.569807  1
  Fe  Fe275  1  0.809566  0.612247  0.606831  1
  Fe  Fe276  1  0.244320  0.077507  0.532776  1
  Fe  Fe277  1  0.476233  0.612247  0.606831  1
  Fe  Fe278  1  0.910986  0.077507  0.532776  1
  Fe  Fe279  1  0.577653  0.077507  0.532776  1
  Fe  Fe280  1  0.034114  0.020869  0.564293  1
  Fe  Fe281  1  0.700781  0.020869  0.564293  1
  Fe  Fe282  1  0.983920  0.792691  0.600163  1
  Fe  Fe283  1  0.367447  0.020869  0.564293  1
  Fe  Fe284  1  0.650587  0.792691  0.600163  1
  Fe  Fe285  1  0.083972  0.250765  0.527852  1
  Fe  Fe286  1  0.317254  0.792691  0.600163  1
  Fe  Fe287  1  0.750639  0.250765  0.527852  1
  Fe  Fe288  1  0.417305  0.250765  0.527852  1
  Fe  Fe289  1  0.988406  0.114782  0.605233  1
  Fe  Fe290  1  0.655073  0.114782  0.605233  1
  Fe  Fe291  1  0.083085  0.585488  0.530875  1
  Fe  Fe292  1  0.321739  0.114782  0.605233  1
  Fe  Fe293  1  0.749751  0.585488  0.530875  1
  Fe  Fe294  1  0.035320  0.350767  0.568005  1
  Fe  Fe295  1  0.416418  0.585488  0.530875  1
  Fe  Fe296  1  0.701987  0.350767  0.568005  1
  Fe  Fe297  1  0.368653  0.350767  0.568005  1
  Fe  Fe298  1  0.250853  0.737749  0.530239  1
  Fe  Fe299  1  0.917519  0.737749  0.530239  1
  Fe  Fe300  1  0.203441  0.505051  0.567540  1
  Fe  Fe301  1  0.584186  0.737749  0.530239  1
  Fe  Fe302  1  0.870108  0.505051  0.567540  1
  Fe  Fe303  1  0.157076  0.272778  0.604969  1
  Fe  Fe304  1  0.536775  0.505051  0.567540  1
  Fe  Fe305  1  0.823742  0.272778  0.604969  1
  Fe  Fe306  1  0.490409  0.272778  0.604969  1
  Fe  Fe307  1  0.975965  0.933050  0.578004  1
  Fe  Fe308  1  0.642632  0.933050  0.578004  1
  Fe  Fe309  1  0.068558  0.399027  0.504207  1
  Fe  Fe310  1  0.309298  0.933050  0.578004  1
  Fe  Fe311  1  0.735225  0.399027  0.504207  1
  Fe  Fe312  1  0.021073  0.166172  0.541228  1
  Fe  Fe313  1  0.401891  0.399027  0.504207  1
  Fe  Fe314  1  0.687740  0.166172  0.541228  1
  Fe  Fe315  1  0.354406  0.166172  0.541228  1
  Fe  Fe316  1  0.133839  0.757465  0.583726  1
  Fe  Fe317  1  0.800505  0.757465  0.583726  1
  Fe  Fe318  1  0.228853  0.226580  0.508981  1
  Fe  Fe319  1  0.467172  0.757465  0.583726  1
  Fe  Fe320  1  0.895520  0.226580  0.508981  1
  Fe  Fe321  1  0.180588  0.993235  0.546228  1
  Fe  Fe322  1  0.562186  0.226580  0.508981  1
  Fe  Fe323  1  0.847255  0.993235  0.546228  1
  Fe  Fe324  1  0.513922  0.993235  0.546228  1
  Fe  Fe325  1  0.858956  0.091706  0.661336  1
  Fe  Fe326  1  0.525623  0.091705  0.661336  1
  Fe  Fe327  1  0.810111  0.864862  0.700845  1
  Fe  Fe328  1  0.192290  0.091705  0.661336  1
  Fe  Fe329  1  0.476778  0.864862  0.700845  1
  Fe  Fe330  1  0.907346  0.325712  0.624500  1
  Fe  Fe331  1  0.143444  0.864862  0.700845  1
  Fe  Fe332  1  0.574012  0.325712  0.624500  1
  Fe  Fe333  1  0.240679  0.325712  0.624500  1
  Fe  Fe334  1  0.950367  0.209456  0.722626  1
  Fe  Fe335  1  0.617034  0.209456  0.722626  1
  Fe  Fe336  1  0.047234  0.675074  0.646722  1
  Fe  Fe337  1  0.283700  0.209456  0.722626  1
  Fe  Fe338  1  0.713901  0.675075  0.646722  1
  Fe  Fe339  1  0.995514  0.449133  0.687078  1
  Fe  Fe340  1  0.380568  0.675074  0.646722  1
  Fe  Fe341  1  0.662181  0.449133  0.687078  1
  Fe  Fe342  1  0.328848  0.449133  0.687078  1
  Fe  Fe343  1  0.930918  0.170144  0.649162  1
  Fe  Fe344  1  0.597585  0.170144  0.649162  1
  Fe  Fe345  1  0.881026  0.937961  0.684888  1
  Fe  Fe346  1  0.264251  0.170144  0.649162  1
  Fe  Fe347  1  0.547693  0.937961  0.684888  1
  Fe  Fe348  1  0.980186  0.401656  0.611669  1
  Fe  Fe349  1  0.214360  0.937961  0.684887  1
  Fe  Fe350  1  0.646852  0.401656  0.611669  1
  Fe  Fe351  1  0.313519  0.401656  0.611669  1
  Fe  Fe352  1  0.022064  0.289890  0.710732  1
  Fe  Fe353  1  0.688730  0.289890  0.710732  1
  Fe  Fe354  1  0.117020  0.752838  0.633999  1
  Fe  Fe355  1  0.355397  0.289890  0.710732  1
  Fe  Fe356  1  0.783686  0.752838  0.633999  1
  Fe  Fe357  1  0.071038  0.519122  0.670228  1
  Fe  Fe358  1  0.450353  0.752838  0.633999  1
  Fe  Fe359  1  0.737704  0.519122  0.670228  1
  Fe  Fe360  1  0.404371  0.519122  0.670228  1
  Fe  Fe361  1  0.032217  0.968734  0.653405  1
  Fe  Fe362  1  0.698884  0.968734  0.653405  1
  Fe  Fe363  1  0.985359  0.740628  0.689122  1
  Fe  Fe364  1  0.365551  0.968734  0.653405  1
  Fe  Fe365  1  0.652026  0.740628  0.689122  1
  Fe  Fe366  1  0.082006  0.198834  0.616543  1
  Fe  Fe367  1  0.318693  0.740628  0.689122  1
  Fe  Fe368  1  0.748672  0.198834  0.616543  1
  Fe  Fe369  1  0.415339  0.198834  0.616544  1
  Fe  Fe370  1  0.913797  0.038665  0.617219  1
  Fe  Fe371  1  0.580464  0.038665  0.617219  1
  Fe  Fe372  1  0.865166  0.804005  0.653688  1
  Fe  Fe373  1  0.247130  0.038665  0.617219  1
  Fe  Fe374  1  0.531833  0.804005  0.653688  1
  Fe  Fe375  1  0.819074  0.567265  0.689738  1
  Fe  Fe376  1  0.198500  0.804005  0.653688  1
  Fe  Fe377  1  0.485740  0.567265  0.689738  1
  Fe  Fe378  1  0.152407  0.567265  0.689738  1
  Fe  Fe379  1  0.040264  0.143634  0.680803  1
  Fe  Fe380  1  0.706931  0.143634  0.680803  1
  Fe  Fe381  1  0.984912  0.909157  0.717486  1
  Fe  Fe382  1  0.373597  0.143634  0.680803  1
  Fe  Fe383  1  0.651579  0.909157  0.717486  1
  Fe  Fe384  1  0.086233  0.380337  0.644123  1
  Fe  Fe385  1  0.318246  0.909157  0.717486  1
  Fe  Fe386  1  0.752900  0.380337  0.644123  1
  Fe  Fe387  1  0.419567  0.380337  0.644123  1
  Fe  Fe388  1  0.888468  0.327689  0.673479  1
  Fe  Fe389  1  0.555135  0.327689  0.673479  1
  Fe  Fe390  1  0.837216  0.090098  0.710403  1
  Fe  Fe391  1  0.221802  0.327689  0.673479  1
  Fe  Fe392  1  0.503883  0.090097  0.710403  1
  Fe  Fe393  1  0.935960  0.562406  0.636519  1
  Fe  Fe394  1  0.170549  0.090097  0.710403  1
  Fe  Fe395  1  0.602627  0.562406  0.636519  1
  Fe  Fe396  1  0.269293  0.562406  0.636519  1
  Fe  Fe397  1  0.848288  0.411766  0.715859  1
  Fe  Fe398  1  0.514955  0.411766  0.715859  1
  Fe  Fe399  1  0.942857  0.877103  0.642143  1
  Fe  Fe400  1  0.181622  0.411766  0.715859  1
  Fe  Fe401  1  0.609524  0.877103  0.642143  1
  Fe  Fe402  1  0.895091  0.648487  0.678970  1
  Fe  Fe403  1  0.276191  0.877103  0.642143  1
  Fe  Fe404  1  0.561758  0.648487  0.678970  1
  Fe  Fe405  1  0.228424  0.648487  0.678970  1
  Fe  Fe406  1  0.109437  0.039711  0.641677  1
  Fe  Fe407  1  0.776103  0.039711  0.641677  1
  Fe  Fe408  1  0.066407  0.808770  0.678062  1
  Fe  Fe409  1  0.442770  0.039711  0.641677  1
  Fe  Fe410  1  0.733073  0.808770  0.678062  1
  Fe  Fe411  1  0.022683  0.577011  0.714194  1
  Fe  Fe412  1  0.399740  0.808770  0.678062  1
  Fe  Fe413  1  0.689349  0.577011  0.714194  1
  Fe  Fe414  1  0.356016  0.577011  0.714194  1
  Fe  Fe415  1  0.835769  0.233668  0.689170  1
  Fe  Fe416  1  0.502436  0.233668  0.689170  1
  Fe  Fe417  1  0.932394  0.699294  0.614655  1
  Fe  Fe418  1  0.169102  0.233668  0.689170  1
  Fe  Fe419  1  0.599061  0.699294  0.614655  1
  Fe  Fe420  1  0.890724  0.464957  0.651754  1
  Fe  Fe421  1  0.265728  0.699294  0.614655  1
  Fe  Fe422  1  0.557391  0.464957  0.651754  1
  Fe  Fe423  1  0.224057  0.464957  0.651754  1
  Fe  Fe424  1  0.995401  0.043710  0.697446  1
  Fe  Fe425  1  0.662067  0.043710  0.697446  1
  Fe  Fe426  1  0.089673  0.517721  0.621814  1
  Fe  Fe427  1  0.328734  0.043710  0.697446  1
  Fe  Fe428  1  0.756339  0.517721  0.621814  1
  Fe  Fe429  1  0.044521  0.278008  0.660300  1
  Fe  Fe430  1  0.423006  0.517721  0.621814  1
  Fe  Fe431  1  0.711187  0.278008  0.660300  1
  Fe  Fe432  1  0.377854  0.278008  0.660300  1
  C  C433  1  0.438640  0.302192  0.309628  1
  C  C434  1  0.105307  0.302192  0.309628  1
  C  C435  1  0.393408  0.064274  0.346982  1
  C  C436  1  0.771974  0.302192  0.309628  1
  C  C437  1  0.060074  0.064274  0.346982  1
  C  C438  1  0.347058  0.831739  0.383633  1
  C  C439  1  0.726741  0.064274  0.346982  1
  C  C440  1  0.013725  0.831739  0.383633  1
  C  C441  1  0.680391  0.831739  0.383633  1
  C  C442  1  0.210459  0.487947  0.360008  1
  C  C443  1  0.877125  0.487947  0.360008  1
  C  C444  1  0.302217  0.959277  0.288352  1
  C  C445  1  0.543792  0.487947  0.360008  1
  C  C446  1  0.968884  0.959277  0.288352  1
  C  C447  1  0.259539  0.723753  0.323965  1
  C  C448  1  0.635550  0.959277  0.288352  1
  C  C449  1  0.926206  0.723753  0.323965  1
  C  C450  1  0.592873  0.723753  0.323965  1
  C  C451  1  0.534866  0.085510  0.343805  1
  C  C452  1  0.201533  0.085510  0.343805  1
  C  C453  1  0.489207  0.852288  0.380542  1
  C  C454  1  0.868200  0.085510  0.343805  1
  C  C455  1  0.155873  0.852288  0.380542  1
  C  C456  1  0.582769  0.318224  0.307465  1
  C  C457  1  0.822540  0.852288  0.380542  1
  C  C458  1  0.249436  0.318224  0.307465  1
  C  C459  1  0.916102  0.318224  0.307465  1
  C  C460  1  0.444819  0.974192  0.284426  1
  C  C461  1  0.111486  0.974192  0.284426  1
  C  C462  1  0.400913  0.742522  0.320631  1
  C  C463  1  0.778153  0.974192  0.284426  1
  C  C464  1  0.067580  0.742522  0.320631  1
  C  C465  1  0.352715  0.508093  0.357290  1
  C  C466  1  0.734246  0.742522  0.320631  1
  C  C467  1  0.019381  0.508093  0.357290  1
  C  C468  1  0.686048  0.508093  0.357290  1
  C  C469  1  0.299077  0.599542  0.420603  1
  C  C470  1  0.965744  0.599542  0.420603  1
  C  C471  1  0.250270  0.367535  0.457767  1
  C  C472  1  0.632411  0.599542  0.420603  1
  C  C473  1  0.916937  0.367535  0.457767  1
  C  C474  1  0.201548  0.135157  0.494922  1
  C  C475  1  0.583604  0.367535  0.457767  1
  C  C476  1  0.868215  0.135157  0.494922  1
  C  C477  1  0.534881  0.135157  0.494922  1
  C  C478  1  0.066130  0.787200  0.471012  1
  C  C479  1  0.732797  0.787200  0.471012  1
  C  C480  1  0.162157  0.254168  0.396951  1
  C  C481  1  0.399464  0.787200  0.471012  1
  C  C482  1  0.828823  0.254168  0.396951  1
  C  C483  1  0.114322  0.020536  0.434072  1
  C  C484  1  0.495490  0.254168  0.396951  1
  C  C485  1  0.780989  0.020536  0.434072  1
  C  C486  1  0.447656  0.020536  0.434072  1
  C  C487  1  0.392918  0.387363  0.454680  1
  C  C488  1  0.059585  0.387363  0.454680  1
  C  C489  1  0.344202  0.154876  0.491837  1
  C  C490  1  0.726251  0.387363  0.454680  1
  C  C491  1  0.010868  0.154876  0.491837  1
  C  C492  1  0.441579  0.619528  0.417467  1
  C  C493  1  0.677535  0.154876  0.491837  1
  C  C494  1  0.108246  0.619528  0.417467  1
  C  C495  1  0.774913  0.619528  0.417467  1
  C  C496  1  0.304708  0.274143  0.394228  1
  C  C497  1  0.971374  0.274143  0.394228  1
  C  C498  1  0.256949  0.040262  0.431021  1
  C  C499  1  0.638041  0.274143  0.394228  1
  C  C500  1  0.923616  0.040262  0.431021  1
  C  C501  1  0.208742  0.806902  0.467898  1
  C  C502  1  0.590283  0.040262  0.431021  1
  C  C503  1  0.875408  0.806902  0.467898  1
  C  C504  1  0.542075  0.806902  0.467898  1
  C  C505  1  0.153023  0.902367  0.531951  1
  C  C506  1  0.819690  0.902367  0.531951  1
  C  C507  1  0.104816  0.669007  0.568827  1
  C  C508  1  0.486357  0.902367  0.531951  1
  C  C509  1  0.771483  0.669007  0.568827  1
  C  C510  1  0.057058  0.435126  0.605621  1
  C  C511  1  0.438149  0.669007  0.568827  1
  C  C512  1  0.723725  0.435126  0.605621  1
  C  C513  1  0.390392  0.435126  0.605621  1
  C  C514  1  0.920186  0.089741  0.582382  1
  C  C515  1  0.586853  0.089741  0.582382  1
  C  C516  1  0.017563  0.554392  0.508012  1
  C  C517  1  0.253519  0.089741  0.582382  1
  C  C518  1  0.684230  0.554392  0.508012  1
  C  C519  1  0.968847  0.321905  0.545168  1
  C  C520  1  0.350897  0.554392  0.508012  1
  C  C521  1  0.635514  0.321905  0.545168  1
  C  C522  1  0.302180  0.321905  0.545168  1
  C  C523  1  0.247443  0.688733  0.565777  1
  C  C524  1  0.914110  0.688733  0.565777  1
  C  C525  1  0.199609  0.455099  0.602898  1
  C  C526  1  0.580776  0.688733  0.565777  1
  C  C527  1  0.866276  0.455099  0.602898  1
  C  C528  1  0.295635  0.922068  0.528837  1
  C  C529  1  0.532943  0.455099  0.602898  1
  C  C530  1  0.962301  0.922068  0.528837  1
  C  C531  1  0.628968  0.922068  0.528837  1
  C  C532  1  0.160217  0.574111  0.504927  1
  C  C533  1  0.826884  0.574111  0.504927  1
  C  C534  1  0.111495  0.341734  0.542082  1
  C  C535  1  0.493551  0.574111  0.504927  1
  C  C536  1  0.778162  0.341734  0.542082  1
  C  C537  1  0.062688  0.109727  0.579246  1
  C  C538  1  0.444828  0.341734  0.542082  1
  C  C539  1  0.729355  0.109727  0.579246  1
  C  C540  1  0.396022  0.109727  0.579246  1
  C  C541  1  0.009052  0.201176  0.642559  1
  C  C542  1  0.675719  0.201176  0.642559  1
  C  C543  1  0.960887  0.966752  0.679218  1
  C  C544  1  0.342386  0.201176  0.642559  1
  C  C545  1  0.627554  0.966752  0.679218  1
  C  C546  1  0.916954  0.735067  0.715424  1
  C  C547  1  0.294221  0.966752  0.679218  1
  C  C548  1  0.583620  0.735067  0.715424  1
  C  C549  1  0.250287  0.735067  0.715424  1
  C  C550  1  0.778996  0.391045  0.692383  1
  C  C551  1  0.445663  0.391045  0.692383  1
  C  C552  1  0.872559  0.856980  0.619307  1
  C  C553  1  0.112330  0.391045  0.692383  1
  C  C554  1  0.539226  0.856980  0.619307  1
  C  C555  1  0.826899  0.623757  0.656044  1
  C  C556  1  0.205893  0.856980  0.619307  1
  C  C557  1  0.493566  0.623757  0.656044  1
  C  C558  1  0.160233  0.623757  0.656044  1
  C  C559  1  0.102258  0.985481  0.675893  1
  C  C560  1  0.768924  0.985481  0.675893  1
  C  C561  1  0.059548  0.749992  0.711497  1
  C  C562  1  0.435591  0.985481  0.675893  1
  C  C563  1  0.726215  0.749992  0.711497  1
  C  C564  1  0.151312  0.221307  0.639843  1
  C  C565  1  0.392881  0.749992  0.711497  1
  C  C566  1  0.817979  0.221307  0.639843  1
  C  C567  1  0.484646  0.221307  0.639843  1
  C  C568  1  0.014708  0.877530  0.616216  1
  C  C569  1  0.681375  0.877530  0.616216  1
  C  C570  1  0.968358  0.644995  0.652867  1
  C  C571  1  0.348042  0.877530  0.616216  1
  C  C572  1  0.635025  0.644995  0.652867  1
  C  C573  1  0.923125  0.407076  0.690221  1
  C  C574  1  0.301691  0.644995  0.652867  1
  C  C575  1  0.589792  0.407076  0.690221  1
  C  C576  1  0.256458  0.407076  0.690221  1
