# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   28.43759520
_cell_length_b   12.02992919
_cell_length_c   47.92162597
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.38065773
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe528 C264'
_cell_volume   16163.5901705
_cell_formula_units_Z   264
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  0.784814  0.949405  0.290746  1
  Fe  Fe2  1  0.451480  0.949405  0.290746  1
  Fe  Fe3  1  0.610666  0.886792  0.310501  1
  Fe  Fe4  1  0.118147  0.949405  0.290746  1
  Fe  Fe5  1  0.277333  0.886792  0.310501  1
  Fe  Fe6  1  0.618147  0.449405  0.290746  1
  Fe  Fe7  1  0.777333  0.386792  0.310501  1
  Fe  Fe8  1  0.944000  0.886792  0.310501  1
  Fe  Fe9  1  0.284814  0.449405  0.290746  1
  Fe  Fe10  1  0.444000  0.386792  0.310501  1
  Fe  Fe11  1  0.951480  0.449405  0.290746  1
  Fe  Fe12  1  0.110666  0.386792  0.310501  1
  Fe  Fe13  1  0.828322  0.663226  0.309287  1
  Fe  Fe14  1  0.494988  0.663226  0.309287  1
  Fe  Fe15  1  0.668064  0.727118  0.289910  1
  Fe  Fe16  1  0.161655  0.663226  0.309287  1
  Fe  Fe17  1  0.334731  0.727118  0.289910  1
  Fe  Fe18  1  0.661655  0.163226  0.309287  1
  Fe  Fe19  1  0.834731  0.227118  0.289910  1
  Fe  Fe20  1  0.001397  0.727118  0.289910  1
  Fe  Fe21  1  0.328322  0.163226  0.309287  1
  Fe  Fe22  1  0.501397  0.227118  0.289910  1
  Fe  Fe23  1  0.994988  0.163226  0.309287  1
  Fe  Fe24  1  0.168064  0.227118  0.289910  1
  Fe  Fe25  1  0.871967  0.995818  0.284200  1
  Fe  Fe26  1  0.538634  0.995818  0.284200  1
  Fe  Fe27  1  0.697711  0.932613  0.303716  1
  Fe  Fe28  1  0.205301  0.995818  0.284200  1
  Fe  Fe29  1  0.364378  0.932613  0.303716  1
  Fe  Fe30  1  0.705301  0.495818  0.284200  1
  Fe  Fe31  1  0.864378  0.432613  0.303716  1
  Fe  Fe32  1  0.031044  0.932613  0.303716  1
  Fe  Fe33  1  0.371967  0.495818  0.284200  1
  Fe  Fe34  1  0.531044  0.432613  0.303716  1
  Fe  Fe35  1  0.038634  0.495818  0.284200  1
  Fe  Fe36  1  0.197711  0.432613  0.303716  1
  Fe  Fe37  1  0.742495  0.617425  0.316643  1
  Fe  Fe38  1  0.409162  0.617425  0.316643  1
  Fe  Fe39  1  0.583488  0.680713  0.297035  1
  Fe  Fe40  1  0.075829  0.617425  0.316643  1
  Fe  Fe41  1  0.250154  0.680713  0.297035  1
  Fe  Fe42  1  0.575829  0.117425  0.316643  1
  Fe  Fe43  1  0.750154  0.180713  0.297035  1
  Fe  Fe44  1  0.916821  0.680713  0.297035  1
  Fe  Fe45  1  0.242495  0.117425  0.316643  1
  Fe  Fe46  1  0.416821  0.180713  0.297035  1
  Fe  Fe47  1  0.909162  0.117425  0.316643  1
  Fe  Fe48  1  0.083488  0.180713  0.297035  1
  Fe  Fe49  1  0.770538  0.822669  0.330725  1
  Fe  Fe50  1  0.437204  0.822669  0.330725  1
  Fe  Fe51  1  0.596907  0.759372  0.350493  1
  Fe  Fe52  1  0.103871  0.822669  0.330725  1
  Fe  Fe53  1  0.263574  0.759372  0.350493  1
  Fe  Fe54  1  0.603871  0.322669  0.330725  1
  Fe  Fe55  1  0.763574  0.259372  0.350493  1
  Fe  Fe56  1  0.930240  0.759372  0.350493  1
  Fe  Fe57  1  0.270538  0.322669  0.330725  1
  Fe  Fe58  1  0.430240  0.259372  0.350493  1
  Fe  Fe59  1  0.937204  0.322669  0.330725  1
  Fe  Fe60  1  0.096907  0.259372  0.350493  1
  Fe  Fe61  1  0.813627  0.536940  0.349213  1
  Fe  Fe62  1  0.480294  0.536940  0.349213  1
  Fe  Fe63  1  0.654489  0.599527  0.329134  1
  Fe  Fe64  1  0.146961  0.536940  0.349213  1
  Fe  Fe65  1  0.321155  0.599527  0.329134  1
  Fe  Fe66  1  0.646961  0.036940  0.349213  1
  Fe  Fe67  1  0.821155  0.099527  0.329134  1
  Fe  Fe68  1  0.987822  0.599527  0.329134  1
  Fe  Fe69  1  0.313627  0.036940  0.349213  1
  Fe  Fe70  1  0.487822  0.099527  0.329134  1
  Fe  Fe71  1  0.980294  0.036940  0.349213  1
  Fe  Fe72  1  0.154489  0.099527  0.329134  1
  Fe  Fe73  1  0.856787  0.868654  0.323361  1
  Fe  Fe74  1  0.523454  0.868654  0.323361  1
  Fe  Fe75  1  0.682676  0.805374  0.343040  1
  Fe  Fe76  1  0.190121  0.868654  0.323361  1
  Fe  Fe77  1  0.349343  0.805374  0.343040  1
  Fe  Fe78  1  0.690121  0.368654  0.323361  1
  Fe  Fe79  1  0.849343  0.305374  0.343040  1
  Fe  Fe80  1  0.016009  0.805374  0.343040  1
  Fe  Fe81  1  0.356787  0.368654  0.323361  1
  Fe  Fe82  1  0.516009  0.305374  0.343040  1
  Fe  Fe83  1  0.023454  0.368654  0.323361  1
  Fe  Fe84  1  0.182676  0.305374  0.343040  1
  Fe  Fe85  1  0.727792  0.490714  0.356533  1
  Fe  Fe86  1  0.394458  0.490714  0.356533  1
  Fe  Fe87  1  0.568406  0.553712  0.336544  1
  Fe  Fe88  1  0.061125  0.490714  0.356533  1
  Fe  Fe89  1  0.235073  0.553712  0.336544  1
  Fe  Fe90  1  0.561125  0.990714  0.356533  1
  Fe  Fe91  1  0.735073  0.053712  0.336544  1
  Fe  Fe92  1  0.901740  0.553712  0.336544  1
  Fe  Fe93  1  0.227792  0.990714  0.356533  1
  Fe  Fe94  1  0.401740  0.053712  0.336544  1
  Fe  Fe95  1  0.894458  0.990714  0.356533  1
  Fe  Fe96  1  0.068406  0.053712  0.336544  1
  Fe  Fe97  1  0.755908  0.696942  0.370561  1
  Fe  Fe98  1  0.422575  0.696942  0.370561  1
  Fe  Fe99  1  0.581958  0.633663  0.390562  1
  Fe  Fe100  1  0.089242  0.696942  0.370561  1
  Fe  Fe101  1  0.248624  0.633663  0.390562  1
  Fe  Fe102  1  0.589242  0.196942  0.370561  1
  Fe  Fe103  1  0.748624  0.133663  0.390562  1
  Fe  Fe104  1  0.915291  0.633663  0.390562  1
  Fe  Fe105  1  0.255908  0.196942  0.370561  1
  Fe  Fe106  1  0.415291  0.133663  0.390562  1
  Fe  Fe107  1  0.922575  0.196942  0.370561  1
  Fe  Fe108  1  0.081958  0.133663  0.390562  1
  Fe  Fe109  1  0.798971  0.410879  0.389268  1
  Fe  Fe110  1  0.465637  0.410879  0.389268  1
  Fe  Fe111  1  0.639381  0.474423  0.369517  1
  Fe  Fe112  1  0.132304  0.410879  0.389268  1
  Fe  Fe113  1  0.306047  0.474423  0.369517  1
  Fe  Fe114  1  0.632304  0.910879  0.389268  1
  Fe  Fe115  1  0.806047  0.974423  0.369517  1
  Fe  Fe116  1  0.972714  0.474423  0.369517  1
  Fe  Fe117  1  0.298971  0.910879  0.389268  1
  Fe  Fe118  1  0.472714  0.974423  0.369517  1
  Fe  Fe119  1  0.965637  0.910879  0.389268  1
  Fe  Fe120  1  0.139381  0.974423  0.369517  1
  Fe  Fe121  1  0.841952  0.743169  0.363676  1
  Fe  Fe122  1  0.508619  0.743169  0.363676  1
  Fe  Fe123  1  0.668096  0.679975  0.383470  1
  Fe  Fe124  1  0.175285  0.743169  0.363676  1
  Fe  Fe125  1  0.334762  0.679975  0.383470  1
  Fe  Fe126  1  0.675285  0.243169  0.363676  1
  Fe  Fe127  1  0.834762  0.179975  0.383470  1
  Fe  Fe128  1  0.001429  0.679975  0.383470  1
  Fe  Fe129  1  0.341952  0.243169  0.363676  1
  Fe  Fe130  1  0.501429  0.179975  0.383470  1
  Fe  Fe131  1  0.008619  0.243169  0.363676  1
  Fe  Fe132  1  0.168096  0.179975  0.383470  1
  Fe  Fe133  1  0.713006  0.364945  0.396547  1
  Fe  Fe134  1  0.379672  0.364945  0.396547  1
  Fe  Fe135  1  0.553388  0.427898  0.376480  1
  Fe  Fe136  1  0.046339  0.364945  0.396547  1
  Fe  Fe137  1  0.220055  0.427898  0.376480  1
  Fe  Fe138  1  0.546339  0.864945  0.396547  1
  Fe  Fe139  1  0.720055  0.927898  0.376480  1
  Fe  Fe140  1  0.886721  0.427898  0.376480  1
  Fe  Fe141  1  0.213006  0.864945  0.396547  1
  Fe  Fe142  1  0.386721  0.927898  0.376480  1
  Fe  Fe143  1  0.879672  0.864945  0.396547  1
  Fe  Fe144  1  0.053388  0.927898  0.376480  1
  Fe  Fe145  1  0.741391  0.570837  0.410584  1
  Fe  Fe146  1  0.408057  0.570837  0.410584  1
  Fe  Fe147  1  0.567345  0.507752  0.430530  1
  Fe  Fe148  1  0.074724  0.570837  0.410584  1
  Fe  Fe149  1  0.234011  0.507752  0.430530  1
  Fe  Fe150  1  0.574724  0.070837  0.410584  1
  Fe  Fe151  1  0.734011  0.007752  0.430530  1
  Fe  Fe152  1  0.900678  0.507752  0.430530  1
  Fe  Fe153  1  0.241391  0.070837  0.410584  1
  Fe  Fe154  1  0.400678  0.007752  0.430530  1
  Fe  Fe155  1  0.908057  0.070837  0.410584  1
  Fe  Fe156  1  0.067345  0.007752  0.430530  1
  Fe  Fe157  1  0.784285  0.285055  0.429313  1
  Fe  Fe158  1  0.450952  0.285055  0.429313  1
  Fe  Fe159  1  0.624793  0.348417  0.409509  1
  Fe  Fe160  1  0.117619  0.285055  0.429313  1
  Fe  Fe161  1  0.291460  0.348417  0.409509  1
  Fe  Fe162  1  0.617619  0.785055  0.429313  1
  Fe  Fe163  1  0.791460  0.848417  0.409509  1
  Fe  Fe164  1  0.958127  0.348417  0.409509  1
  Fe  Fe165  1  0.284285  0.785055  0.429313  1
  Fe  Fe166  1  0.458127  0.848417  0.409509  1
  Fe  Fe167  1  0.950952  0.785055  0.429313  1
  Fe  Fe168  1  0.124793  0.848417  0.409509  1
  Fe  Fe169  1  0.827278  0.616974  0.403344  1
  Fe  Fe170  1  0.493945  0.616974  0.403344  1
  Fe  Fe171  1  0.653353  0.553970  0.423341  1
  Fe  Fe172  1  0.160611  0.616974  0.403344  1
  Fe  Fe173  1  0.320020  0.553970  0.423341  1
  Fe  Fe174  1  0.660611  0.116974  0.403344  1
  Fe  Fe175  1  0.820020  0.053970  0.423341  1
  Fe  Fe176  1  0.986687  0.553970  0.423341  1
  Fe  Fe177  1  0.327278  0.116974  0.403344  1
  Fe  Fe178  1  0.486687  0.053970  0.423341  1
  Fe  Fe179  1  0.993945  0.116974  0.403344  1
  Fe  Fe180  1  0.153353  0.053970  0.423341  1
  Fe  Fe181  1  0.698302  0.239018  0.436527  1
  Fe  Fe182  1  0.364969  0.239018  0.436527  1
  Fe  Fe183  1  0.538899  0.302033  0.416539  1
  Fe  Fe184  1  0.031635  0.239018  0.436527  1
  Fe  Fe185  1  0.205566  0.302033  0.416539  1
  Fe  Fe186  1  0.531635  0.739018  0.436527  1
  Fe  Fe187  1  0.705566  0.802033  0.416539  1
  Fe  Fe188  1  0.872233  0.302033  0.416539  1
  Fe  Fe189  1  0.198302  0.739018  0.436527  1
  Fe  Fe190  1  0.372233  0.802033  0.416539  1
  Fe  Fe191  1  0.864969  0.739018  0.436527  1
  Fe  Fe192  1  0.038899  0.802033  0.416539  1
  Fe  Fe193  1  0.726744  0.445012  0.450596  1
  Fe  Fe194  1  0.393410  0.445012  0.450596  1
  Fe  Fe195  1  0.552724  0.381853  0.470533  1
  Fe  Fe196  1  0.060077  0.445012  0.450596  1
  Fe  Fe197  1  0.219390  0.381853  0.470533  1
  Fe  Fe198  1  0.560077  0.945012  0.450596  1
  Fe  Fe199  1  0.719390  0.881853  0.470533  1
  Fe  Fe200  1  0.886057  0.381853  0.470533  1
  Fe  Fe201  1  0.226744  0.945012  0.450596  1
  Fe  Fe202  1  0.386057  0.881853  0.470533  1
  Fe  Fe203  1  0.893410  0.945012  0.450596  1
  Fe  Fe204  1  0.052724  0.881853  0.470533  1
  Fe  Fe205  1  0.769580  0.159270  0.469357  1
  Fe  Fe206  1  0.436247  0.159270  0.469357  1
  Fe  Fe207  1  0.610264  0.222424  0.449360  1
  Fe  Fe208  1  0.102914  0.159270  0.469357  1
  Fe  Fe209  1  0.276931  0.222424  0.449360  1
  Fe  Fe210  1  0.602914  0.659270  0.469357  1
  Fe  Fe211  1  0.776931  0.722424  0.449360  1
  Fe  Fe212  1  0.943598  0.222424  0.449360  1
  Fe  Fe213  1  0.269580  0.659270  0.469357  1
  Fe  Fe214  1  0.443598  0.722424  0.449360  1
  Fe  Fe215  1  0.936247  0.659270  0.469357  1
  Fe  Fe216  1  0.110264  0.722424  0.449360  1
  Fe  Fe217  1  0.812640  0.491143  0.443410  1
  Fe  Fe218  1  0.479306  0.491143  0.443410  1
  Fe  Fe219  1  0.638718  0.428119  0.463407  1
  Fe  Fe220  1  0.145973  0.491143  0.443410  1
  Fe  Fe221  1  0.305385  0.428119  0.463407  1
  Fe  Fe222  1  0.645973  0.991143  0.443410  1
  Fe  Fe223  1  0.805385  0.928119  0.463407  1
  Fe  Fe224  1  0.972051  0.428119  0.463407  1
  Fe  Fe225  1  0.312640  0.991143  0.443410  1
  Fe  Fe226  1  0.472051  0.928119  0.463407  1
  Fe  Fe227  1  0.979306  0.991143  0.443410  1
  Fe  Fe228  1  0.138718  0.928119  0.463407  1
  Fe  Fe229  1  0.683642  0.113119  0.476536  1
  Fe  Fe230  1  0.350308  0.113119  0.476536  1
  Fe  Fe231  1  0.524228  0.176138  0.456531  1
  Fe  Fe232  1  0.016975  0.113119  0.476536  1
  Fe  Fe233  1  0.190895  0.176138  0.456531  1
  Fe  Fe234  1  0.516975  0.613119  0.476536  1
  Fe  Fe235  1  0.690895  0.676138  0.456531  1
  Fe  Fe236  1  0.857562  0.176138  0.456531  1
  Fe  Fe237  1  0.183642  0.613119  0.476536  1
  Fe  Fe238  1  0.357562  0.676138  0.456531  1
  Fe  Fe239  1  0.850308  0.613119  0.476536  1
  Fe  Fe240  1  0.024228  0.676138  0.456531  1
  Fe  Fe241  1  0.712021  0.319156  0.490607  1
  Fe  Fe242  1  0.378688  0.319156  0.490607  1
  Fe  Fe243  1  0.538064  0.255991  0.510548  1
  Fe  Fe244  1  0.045354  0.319156  0.490607  1
  Fe  Fe245  1  0.204730  0.255991  0.510548  1
  Fe  Fe246  1  0.545354  0.819156  0.490607  1
  Fe  Fe247  1  0.704730  0.755991  0.510548  1
  Fe  Fe248  1  0.871397  0.255991  0.510548  1
  Fe  Fe249  1  0.212021  0.819156  0.490607  1
  Fe  Fe250  1  0.371397  0.755991  0.510548  1
  Fe  Fe251  1  0.878688  0.819156  0.490607  1
  Fe  Fe252  1  0.038064  0.755991  0.510548  1
  Fe  Fe253  1  0.754933  0.033388  0.509330  1
  Fe  Fe254  1  0.421600  0.033388  0.509330  1
  Fe  Fe255  1  0.595557  0.096552  0.489389  1
  Fe  Fe256  1  0.088267  0.033388  0.509330  1
  Fe  Fe257  1  0.262224  0.096552  0.489389  1
  Fe  Fe258  1  0.588267  0.533388  0.509330  1
  Fe  Fe259  1  0.762224  0.596552  0.489389  1
  Fe  Fe260  1  0.928891  0.096552  0.489389  1
  Fe  Fe261  1  0.254933  0.533388  0.509330  1
  Fe  Fe262  1  0.428891  0.596552  0.489389  1
  Fe  Fe263  1  0.921600  0.533388  0.509330  1
  Fe  Fe264  1  0.095557  0.596552  0.489389  1
  Fe  Fe265  1  0.797978  0.365282  0.483408  1
  Fe  Fe266  1  0.464645  0.365282  0.483408  1
  Fe  Fe267  1  0.624049  0.302257  0.503398  1
  Fe  Fe268  1  0.131312  0.365282  0.483408  1
  Fe  Fe269  1  0.290716  0.302257  0.503398  1
  Fe  Fe270  1  0.631312  0.865282  0.483408  1
  Fe  Fe271  1  0.790716  0.802257  0.503398  1
  Fe  Fe272  1  0.957382  0.302257  0.503398  1
  Fe  Fe273  1  0.297978  0.865282  0.483408  1
  Fe  Fe274  1  0.457382  0.802257  0.503398  1
  Fe  Fe275  1  0.964645  0.865282  0.483408  1
  Fe  Fe276  1  0.124049  0.802257  0.503398  1
  Fe  Fe277  1  0.668976  0.987262  0.516530  1
  Fe  Fe278  1  0.335643  0.987262  0.516530  1
  Fe  Fe279  1  0.509572  0.050286  0.496539  1
  Fe  Fe280  1  0.002309  0.987262  0.516530  1
  Fe  Fe281  1  0.176239  0.050286  0.496539  1
  Fe  Fe282  1  0.502309  0.487262  0.516530  1
  Fe  Fe283  1  0.676239  0.550286  0.496539  1
  Fe  Fe284  1  0.842905  0.050286  0.496539  1
  Fe  Fe285  1  0.168976  0.487262  0.516530  1
  Fe  Fe286  1  0.342905  0.550286  0.496539  1
  Fe  Fe287  1  0.835643  0.487262  0.516530  1
  Fe  Fe288  1  0.009572  0.550286  0.496539  1
  Fe  Fe289  1  0.697374  0.193274  0.530580  1
  Fe  Fe290  1  0.364041  0.193274  0.530580  1
  Fe  Fe291  1  0.523357  0.130120  0.550578  1
  Fe  Fe292  1  0.030707  0.193274  0.530580  1
  Fe  Fe293  1  0.190024  0.130120  0.550578  1
  Fe  Fe294  1  0.530707  0.693274  0.530580  1
  Fe  Fe295  1  0.690024  0.630120  0.550578  1
  Fe  Fe296  1  0.856690  0.130120  0.550578  1
  Fe  Fe297  1  0.197374  0.693274  0.530580  1
  Fe  Fe298  1  0.356690  0.630120  0.550578  1
  Fe  Fe299  1  0.864041  0.693274  0.530580  1
  Fe  Fe300  1  0.023357  0.630120  0.550578  1
  Fe  Fe301  1  0.740211  0.907532  0.549341  1
  Fe  Fe302  1  0.406877  0.907532  0.549341  1
  Fe  Fe303  1  0.580897  0.970691  0.529404  1
  Fe  Fe304  1  0.073544  0.907532  0.549341  1
  Fe  Fe305  1  0.247564  0.970691  0.529404  1
  Fe  Fe306  1  0.573544  0.407532  0.549341  1
  Fe  Fe307  1  0.747564  0.470691  0.529404  1
  Fe  Fe308  1  0.914231  0.970691  0.529404  1
  Fe  Fe309  1  0.240211  0.407532  0.549341  1
  Fe  Fe310  1  0.414231  0.470691  0.529404  1
  Fe  Fe311  1  0.906877  0.407532  0.549341  1
  Fe  Fe312  1  0.080897  0.470691  0.529404  1
  Fe  Fe313  1  0.783313  0.239424  0.523401  1
  Fe  Fe314  1  0.449980  0.239424  0.523401  1
  Fe  Fe315  1  0.609393  0.176406  0.543407  1
  Fe  Fe316  1  0.116646  0.239424  0.523401  1
  Fe  Fe317  1  0.276060  0.176406  0.543407  1
  Fe  Fe318  1  0.616646  0.739424  0.523401  1
  Fe  Fe319  1  0.776060  0.676406  0.543407  1
  Fe  Fe320  1  0.942726  0.176406  0.543407  1
  Fe  Fe321  1  0.283313  0.739424  0.523401  1
  Fe  Fe322  1  0.442726  0.676406  0.543407  1
  Fe  Fe323  1  0.949980  0.739424  0.523401  1
  Fe  Fe324  1  0.109393  0.676406  0.543407  1
  Fe  Fe325  1  0.654315  0.861400  0.556527  1
  Fe  Fe326  1  0.320981  0.861400  0.556527  1
  Fe  Fe327  1  0.494903  0.924425  0.536530  1
  Fe  Fe328  1  0.987648  0.861400  0.556527  1
  Fe  Fe329  1  0.161570  0.924425  0.536530  1
  Fe  Fe330  1  0.487648  0.361400  0.556527  1
  Fe  Fe331  1  0.661570  0.424425  0.536530  1
  Fe  Fe332  1  0.828237  0.924425  0.536530  1
  Fe  Fe333  1  0.154315  0.361400  0.556527  1
  Fe  Fe334  1  0.328237  0.424425  0.536530  1
  Fe  Fe335  1  0.820981  0.361400  0.556527  1
  Fe  Fe336  1  0.994903  0.424425  0.536530  1
  Fe  Fe337  1  0.682669  0.067489  0.570624  1
  Fe  Fe338  1  0.349336  0.067489  0.570624  1
  Fe  Fe339  1  0.508828  0.004127  0.590428  1
  Fe  Fe340  1  0.016002  0.067489  0.570624  1
  Fe  Fe341  1  0.175494  0.004127  0.590428  1
  Fe  Fe342  1  0.516002  0.567489  0.570624  1
  Fe  Fe343  1  0.675494  0.504127  0.590428  1
  Fe  Fe344  1  0.842161  0.004127  0.590428  1
  Fe  Fe345  1  0.182669  0.567489  0.570624  1
  Fe  Fe346  1  0.342161  0.504127  0.590428  1
  Fe  Fe347  1  0.849336  0.567489  0.570624  1
  Fe  Fe348  1  0.008828  0.504127  0.590428  1
  Fe  Fe349  1  0.725564  0.781707  0.589353  1
  Fe  Fe350  1  0.392230  0.781707  0.589353  1
  Fe  Fe351  1  0.566276  0.844792  0.569407  1
  Fe  Fe352  1  0.058897  0.781707  0.589353  1
  Fe  Fe353  1  0.232943  0.844792  0.569407  1
  Fe  Fe354  1  0.558897  0.281707  0.589353  1
  Fe  Fe355  1  0.732943  0.344792  0.569407  1
  Fe  Fe356  1  0.899610  0.844792  0.569407  1
  Fe  Fe357  1  0.225564  0.281707  0.589353  1
  Fe  Fe358  1  0.399610  0.344792  0.569407  1
  Fe  Fe359  1  0.892230  0.281707  0.589353  1
  Fe  Fe360  1  0.066276  0.344792  0.569407  1
  Fe  Fe361  1  0.768652  0.113526  0.563411  1
  Fe  Fe362  1  0.435319  0.113526  0.563411  1
  Fe  Fe363  1  0.594722  0.050511  0.583398  1
  Fe  Fe364  1  0.101986  0.113526  0.563411  1
  Fe  Fe365  1  0.261388  0.050511  0.583398  1
  Fe  Fe366  1  0.601986  0.613526  0.563411  1
  Fe  Fe367  1  0.761388  0.550511  0.583398  1
  Fe  Fe368  1  0.928055  0.050511  0.583398  1
  Fe  Fe369  1  0.268652  0.613526  0.563411  1
  Fe  Fe370  1  0.428055  0.550511  0.583398  1
  Fe  Fe371  1  0.935319  0.613526  0.563411  1
  Fe  Fe372  1  0.094722  0.550511  0.583398  1
  Fe  Fe373  1  0.639676  0.735569  0.596593  1
  Fe  Fe374  1  0.306343  0.735569  0.596593  1
  Fe  Fe375  1  0.480268  0.798574  0.576596  1
  Fe  Fe376  1  0.973010  0.735569  0.596593  1
  Fe  Fe377  1  0.146935  0.798574  0.576596  1
  Fe  Fe378  1  0.473010  0.235569  0.596593  1
  Fe  Fe379  1  0.646935  0.298574  0.576596  1
  Fe  Fe380  1  0.813601  0.798574  0.576596  1
  Fe  Fe381  1  0.139676  0.235569  0.596593  1
  Fe  Fe382  1  0.313601  0.298574  0.576596  1
  Fe  Fe383  1  0.806343  0.235569  0.596593  1
  Fe  Fe384  1  0.980268  0.298574  0.576596  1
  Fe  Fe385  1  0.667984  0.941665  0.610670  1
  Fe  Fe386  1  0.334651  0.941665  0.610670  1
  Fe  Fe387  1  0.494241  0.878120  0.630420  1
  Fe  Fe388  1  0.001317  0.941665  0.610670  1
  Fe  Fe389  1  0.160907  0.878120  0.630420  1
  Fe  Fe390  1  0.501317  0.441665  0.610670  1
  Fe  Fe391  1  0.660907  0.378120  0.630420  1
  Fe  Fe392  1  0.827574  0.878120  0.630420  1
  Fe  Fe393  1  0.167984  0.441665  0.610670  1
  Fe  Fe394  1  0.327574  0.378120  0.630420  1
  Fe  Fe395  1  0.834651  0.441665  0.610670  1
  Fe  Fe396  1  0.994241  0.378120  0.630420  1
  Fe  Fe397  1  0.711046  0.655601  0.629376  1
  Fe  Fe398  1  0.377713  0.655601  0.629376  1
  Fe  Fe399  1  0.551663  0.718881  0.609375  1
  Fe  Fe400  1  0.044379  0.655601  0.629376  1
  Fe  Fe401  1  0.218330  0.718881  0.609375  1
  Fe  Fe402  1  0.544379  0.155601  0.629376  1
  Fe  Fe403  1  0.718330  0.218881  0.609375  1
  Fe  Fe404  1  0.884997  0.718881  0.609375  1
  Fe  Fe405  1  0.211046  0.155601  0.629376  1
  Fe  Fe406  1  0.384997  0.218881  0.609375  1
  Fe  Fe407  1  0.877713  0.155601  0.629376  1
  Fe  Fe408  1  0.051663  0.218881  0.609375  1
  Fe  Fe409  1  0.753949  0.987599  0.603391  1
  Fe  Fe410  1  0.420615  0.987599  0.603391  1
  Fe  Fe411  1  0.580233  0.924646  0.623458  1
  Fe  Fe412  1  0.087282  0.987599  0.603391  1
  Fe  Fe413  1  0.246900  0.924646  0.623458  1
  Fe  Fe414  1  0.587282  0.487599  0.603391  1
  Fe  Fe415  1  0.746900  0.424646  0.623458  1
  Fe  Fe416  1  0.913566  0.924646  0.623458  1
  Fe  Fe417  1  0.253949  0.487599  0.603391  1
  Fe  Fe418  1  0.413566  0.424646  0.623458  1
  Fe  Fe419  1  0.920615  0.487599  0.603391  1
  Fe  Fe420  1  0.080233  0.424646  0.623458  1
  Fe  Fe421  1  0.625003  0.609374  0.636261  1
  Fe  Fe422  1  0.291669  0.609374  0.636261  1
  Fe  Fe423  1  0.465525  0.672568  0.616467  1
  Fe  Fe424  1  0.958336  0.609374  0.636261  1
  Fe  Fe425  1  0.132192  0.672568  0.616467  1
  Fe  Fe426  1  0.458336  0.109374  0.636261  1
  Fe  Fe427  1  0.632192  0.172568  0.616467  1
  Fe  Fe428  1  0.798859  0.672568  0.616467  1
  Fe  Fe429  1  0.125003  0.109374  0.636261  1
  Fe  Fe430  1  0.298859  0.172568  0.616467  1
  Fe  Fe431  1  0.791669  0.109374  0.636261  1
  Fe  Fe432  1  0.965525  0.172568  0.616467  1
  Fe  Fe433  1  0.653327  0.815604  0.650724  1
  Fe  Fe434  1  0.319994  0.815604  0.650724  1
  Fe  Fe435  1  0.479133  0.753017  0.670803  1
  Fe  Fe436  1  0.986660  0.815604  0.650724  1
  Fe  Fe437  1  0.145799  0.753017  0.670803  1
  Fe  Fe438  1  0.486660  0.315604  0.650724  1
  Fe  Fe439  1  0.645799  0.253017  0.670803  1
  Fe  Fe440  1  0.812466  0.753017  0.670803  1
  Fe  Fe441  1  0.153327  0.315604  0.650724  1
  Fe  Fe442  1  0.312466  0.253017  0.670803  1
  Fe  Fe443  1  0.819994  0.315604  0.650724  1
  Fe  Fe444  1  0.979133  0.253017  0.670803  1
  Fe  Fe445  1  0.696417  0.529875  0.669213  1
  Fe  Fe446  1  0.363083  0.529875  0.669213  1
  Fe  Fe447  1  0.536714  0.593172  0.649445  1
  Fe  Fe448  1  0.029750  0.529875  0.669213  1
  Fe  Fe449  1  0.203381  0.593172  0.649445  1
  Fe  Fe450  1  0.529750  0.029875  0.669213  1
  Fe  Fe451  1  0.703381  0.093172  0.649445  1
  Fe  Fe452  1  0.870047  0.593172  0.649445  1
  Fe  Fe453  1  0.196417  0.029875  0.669213  1
  Fe  Fe454  1  0.370047  0.093172  0.649445  1
  Fe  Fe455  1  0.863083  0.029875  0.669213  1
  Fe  Fe456  1  0.036714  0.093172  0.649445  1
  Fe  Fe457  1  0.739163  0.861829  0.643404  1
  Fe  Fe458  1  0.405830  0.861829  0.643404  1
  Fe  Fe459  1  0.565215  0.798832  0.663393  1
  Fe  Fe460  1  0.072496  0.861829  0.643404  1
  Fe  Fe461  1  0.231881  0.798832  0.663393  1
  Fe  Fe462  1  0.572496  0.361829  0.643404  1
  Fe  Fe463  1  0.731881  0.298832  0.663393  1
  Fe  Fe464  1  0.898548  0.798832  0.663393  1
  Fe  Fe465  1  0.239163  0.361829  0.643404  1
  Fe  Fe466  1  0.398548  0.298832  0.663393  1
  Fe  Fe467  1  0.905830  0.361829  0.643404  1
  Fe  Fe468  1  0.065215  0.298832  0.663393  1
  Fe  Fe469  1  0.610167  0.483890  0.676577  1
  Fe  Fe470  1  0.276834  0.483890  0.676577  1
  Fe  Fe471  1  0.450945  0.547170  0.656898  1
  Fe  Fe472  1  0.943500  0.483890  0.676577  1
  Fe  Fe473  1  0.117612  0.547170  0.656898  1
  Fe  Fe474  1  0.443500  0.983890  0.676577  1
  Fe  Fe475  1  0.617612  0.047170  0.656898  1
  Fe  Fe476  1  0.784279  0.547170  0.656898  1
  Fe  Fe477  1  0.110167  0.983890  0.676577  1
  Fe  Fe478  1  0.284279  0.047170  0.656898  1
  Fe  Fe479  1  0.776834  0.983890  0.676577  1
  Fe  Fe480  1  0.950945  0.047170  0.656898  1
  Fe  Fe481  1  0.638633  0.689317  0.690650  1
  Fe  Fe482  1  0.305299  0.689317  0.690650  1
  Fe  Fe483  1  0.465557  0.625426  0.710027  1
  Fe  Fe484  1  0.971966  0.689317  0.690650  1
  Fe  Fe485  1  0.132224  0.625426  0.710027  1
  Fe  Fe486  1  0.471966  0.189317  0.690650  1
  Fe  Fe487  1  0.632224  0.125426  0.710027  1
  Fe  Fe488  1  0.798891  0.625426  0.710027  1
  Fe  Fe489  1  0.138633  0.189317  0.690650  1
  Fe  Fe490  1  0.298891  0.125426  0.710027  1
  Fe  Fe491  1  0.805299  0.189317  0.690650  1
  Fe  Fe492  1  0.965557  0.125426  0.710027  1
  Fe  Fe493  1  0.682141  0.403139  0.709191  1
  Fe  Fe494  1  0.348807  0.403139  0.709191  1
  Fe  Fe495  1  0.522955  0.465752  0.689436  1
  Fe  Fe496  1  0.015474  0.403139  0.709191  1
  Fe  Fe497  1  0.189622  0.465752  0.689436  1
  Fe  Fe498  1  0.515474  0.903139  0.709191  1
  Fe  Fe499  1  0.689622  0.965752  0.689436  1
  Fe  Fe500  1  0.856288  0.465752  0.689436  1
  Fe  Fe501  1  0.182141  0.903139  0.709191  1
  Fe  Fe502  1  0.356288  0.965752  0.689436  1
  Fe  Fe503  1  0.848807  0.903139  0.709191  1
  Fe  Fe504  1  0.022955  0.965752  0.689436  1
  Fe  Fe505  1  0.724459  0.735118  0.683294  1
  Fe  Fe506  1  0.391126  0.735118  0.683294  1
  Fe  Fe507  1  0.550134  0.671830  0.702902  1
  Fe  Fe508  1  0.057793  0.735118  0.683294  1
  Fe  Fe509  1  0.216800  0.671830  0.702902  1
  Fe  Fe510  1  0.557793  0.235118  0.683294  1
  Fe  Fe511  1  0.716800  0.171830  0.702902  1
  Fe  Fe512  1  0.883467  0.671830  0.702902  1
  Fe  Fe513  1  0.224459  0.235118  0.683294  1
  Fe  Fe514  1  0.383467  0.171830  0.702902  1
  Fe  Fe515  1  0.891126  0.235118  0.683294  1
  Fe  Fe516  1  0.050134  0.171830  0.702902  1
  Fe  Fe517  1  0.594987  0.356725  0.715737  1
  Fe  Fe518  1  0.261654  0.356725  0.715737  1
  Fe  Fe519  1  0.435910  0.419931  0.696222  1
  Fe  Fe520  1  0.928320  0.356725  0.715737  1
  Fe  Fe521  1  0.102577  0.419931  0.696222  1
  Fe  Fe522  1  0.428320  0.856725  0.715737  1
  Fe  Fe523  1  0.602577  0.919931  0.696222  1
  Fe  Fe524  1  0.769243  0.419931  0.696222  1
  Fe  Fe525  1  0.094987  0.856725  0.715737  1
  Fe  Fe526  1  0.269243  0.919931  0.696222  1
  Fe  Fe527  1  0.761654  0.856725  0.715737  1
  Fe  Fe528  1  0.935910  0.919931  0.696222  1
  C  C529  1  0.720048  0.774652  0.309658  1
  C  C530  1  0.386715  0.774652  0.309658  1
  C  C531  1  0.560134  0.837288  0.289745  1
  C  C532  1  0.053382  0.774652  0.309658  1
  C  C533  1  0.226801  0.837288  0.289745  1
  C  C534  1  0.553382  0.274652  0.309658  1
  C  C535  1  0.726801  0.337288  0.289745  1
  C  C536  1  0.893467  0.837288  0.289745  1
  C  C537  1  0.220048  0.274652  0.309658  1
  C  C538  1  0.393467  0.337288  0.289745  1
  C  C539  1  0.886715  0.274652  0.309658  1
  C  C540  1  0.060134  0.337288  0.289745  1
  C  C541  1  0.803204  0.524521  0.309794  1
  C  C542  1  0.469871  0.524521  0.309794  1
  C  C543  1  0.643871  0.587238  0.289729  1
  C  C544  1  0.136537  0.524521  0.309794  1
  C  C545  1  0.310538  0.587238  0.289729  1
  C  C546  1  0.636537  0.024521  0.309794  1
  C  C547  1  0.810538  0.087238  0.289729  1
  C  C548  1  0.977204  0.587238  0.289729  1
  C  C549  1  0.303204  0.024521  0.309794  1
  C  C550  1  0.477204  0.087238  0.289729  1
  C  C551  1  0.969871  0.024521  0.309794  1
  C  C552  1  0.143871  0.087238  0.289729  1
  C  C553  1  0.705073  0.648116  0.349993  1
  C  C554  1  0.371740  0.648116  0.349993  1
  C  C555  1  0.545621  0.711230  0.330216  1
  C  C556  1  0.038406  0.648116  0.349993  1
  C  C557  1  0.212288  0.711230  0.330216  1
  C  C558  1  0.538406  0.148116  0.349993  1
  C  C559  1  0.712288  0.211230  0.330216  1
  C  C560  1  0.878954  0.711230  0.330216  1
  C  C561  1  0.205073  0.148116  0.349993  1
  C  C562  1  0.378954  0.211230  0.330216  1
  C  C563  1  0.871740  0.148116  0.349993  1
  C  C564  1  0.045621  0.211230  0.330216  1
  C  C565  1  0.788609  0.398138  0.349855  1
  C  C566  1  0.455276  0.398138  0.349855  1
  C  C567  1  0.629274  0.460992  0.330104  1
  C  C568  1  0.121942  0.398138  0.349855  1
  C  C569  1  0.295940  0.460992  0.330104  1
  C  C570  1  0.621942  0.898138  0.349855  1
  C  C571  1  0.795940  0.960992  0.330104  1
  C  C572  1  0.962607  0.460992  0.330104  1
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