# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.65544430
_cell_length_b   8.89121934
_cell_length_c   49.66972092
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.75050874
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe216 C108'
_cell_volume   6303.78927277
_cell_formula_units_Z   108
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  0.498970  0.766832  0.280821  1
  Fe  Fe2  1  0.165637  0.766832  0.280821  1
  Fe  Fe3  1  0.473204  0.543060  0.306380  1
  Fe  Fe4  1  0.832304  0.766832  0.280821  1
  Fe  Fe5  1  0.139870  0.543060  0.306380  1
  Fe  Fe6  1  0.448734  0.320095  0.331965  1
  Fe  Fe7  1  0.806537  0.543060  0.306380  1
  Fe  Fe8  1  0.115401  0.320095  0.331965  1
  Fe  Fe9  1  0.782067  0.320095  0.331965  1
  Fe  Fe10  1  0.549990  0.879994  0.330161  1
  Fe  Fe11  1  0.216657  0.879994  0.330161  1
  Fe  Fe12  1  0.600027  0.329649  0.279376  1
  Fe  Fe13  1  0.883324  0.879994  0.330161  1
  Fe  Fe14  1  0.266694  0.329649  0.279376  1
  Fe  Fe15  1  0.575414  0.103874  0.304738  1
  Fe  Fe16  1  0.933361  0.329649  0.279376  1
  Fe  Fe17  1  0.242081  0.103874  0.304738  1
  Fe  Fe18  1  0.908748  0.103874  0.304738  1
  Fe  Fe19  1  0.637768  0.557679  0.309736  1
  Fe  Fe20  1  0.304435  0.557679  0.309736  1
  Fe  Fe21  1  0.611410  0.335437  0.335770  1
  Fe  Fe22  1  0.971102  0.557679  0.309736  1
  Fe  Fe23  1  0.278077  0.335437  0.335770  1
  Fe  Fe24  1  0.664165  0.782514  0.285066  1
  Fe  Fe25  1  0.944744  0.335437  0.335770  1
  Fe  Fe26  1  0.330831  0.782514  0.285066  1
  Fe  Fe27  1  0.997498  0.782514  0.285066  1
  Fe  Fe28  1  0.387176  0.864559  0.326822  1
  Fe  Fe29  1  0.053843  0.864559  0.326822  1
  Fe  Fe30  1  0.444377  0.311485  0.277495  1
  Fe  Fe31  1  0.720509  0.864559  0.326822  1
  Fe  Fe32  1  0.111044  0.311485  0.277495  1
  Fe  Fe33  1  0.412001  0.086559  0.301070  1
  Fe  Fe34  1  0.777711  0.311485  0.277495  1
  Fe  Fe35  1  0.078668  0.086559  0.301070  1
  Fe  Fe36  1  0.745334  0.086559  0.301070  1
  Fe  Fe37  1  0.422703  0.097463  0.357599  1
  Fe  Fe38  1  0.089370  0.097463  0.357599  1
  Fe  Fe39  1  0.396247  0.875719  0.383219  1
  Fe  Fe40  1  0.756036  0.097463  0.357599  1
  Fe  Fe41  1  0.062913  0.875719  0.383219  1
  Fe  Fe42  1  0.370761  0.653149  0.408878  1
  Fe  Fe43  1  0.729580  0.875719  0.383219  1
  Fe  Fe44  1  0.037428  0.653149  0.408878  1
  Fe  Fe45  1  0.704095  0.653149  0.408878  1
  Fe  Fe46  1  0.471832  0.213414  0.407353  1
  Fe  Fe47  1  0.138499  0.213414  0.407353  1
  Fe  Fe48  1  0.523250  0.658938  0.356149  1
  Fe  Fe49  1  0.805166  0.213414  0.407353  1
  Fe  Fe50  1  0.189917  0.658938  0.356149  1
  Fe  Fe51  1  0.497607  0.435953  0.381749  1
  Fe  Fe52  1  0.856584  0.658938  0.356149  1
  Fe  Fe53  1  0.164274  0.435953  0.381749  1
  Fe  Fe54  1  0.830940  0.435953  0.381749  1
  Fe  Fe55  1  0.559630  0.891468  0.386771  1
  Fe  Fe56  1  0.226297  0.891468  0.386771  1
  Fe  Fe57  1  0.533743  0.668831  0.412538  1
  Fe  Fe58  1  0.892964  0.891468  0.386771  1
  Fe  Fe59  1  0.200409  0.668831  0.412538  1
  Fe  Fe60  1  0.585470  0.113488  0.361257  1
  Fe  Fe61  1  0.867076  0.668831  0.412538  1
  Fe  Fe62  1  0.252136  0.113488  0.361257  1
  Fe  Fe63  1  0.918803  0.113488  0.361257  1
  Fe  Fe64  1  0.308816  0.197865  0.403709  1
  Fe  Fe65  1  0.975483  0.197865  0.403709  1
  Fe  Fe66  1  0.360530  0.642533  0.352433  1
  Fe  Fe67  1  0.642149  0.197865  0.403709  1
  Fe  Fe68  1  0.027196  0.642533  0.352433  1
  Fe  Fe69  1  0.334702  0.420399  0.378101  1
  Fe  Fe70  1  0.693863  0.642533  0.352433  1
  Fe  Fe71  1  0.001369  0.420399  0.378101  1
  Fe  Fe72  1  0.668036  0.420399  0.378101  1
  Fe  Fe73  1  0.344877  0.430756  0.434522  1
  Fe  Fe74  1  0.011544  0.430756  0.434522  1
  Fe  Fe75  1  0.318943  0.208468  0.460163  1
  Fe  Fe76  1  0.678211  0.430756  0.434522  1
  Fe  Fe77  1  0.985610  0.208468  0.460163  1
  Fe  Fe78  1  0.293105  0.986105  0.485804  1
  Fe  Fe79  1  0.652277  0.208468  0.460163  1
  Fe  Fe80  1  0.959771  0.986105  0.485804  1
  Fe  Fe81  1  0.626438  0.986105  0.485804  1
  Fe  Fe82  1  0.394138  0.546669  0.484274  1
  Fe  Fe83  1  0.060805  0.546669  0.484274  1
  Fe  Fe84  1  0.445889  0.991385  0.433008  1
  Fe  Fe85  1  0.727472  0.546669  0.484274  1
  Fe  Fe86  1  0.112556  0.991385  0.433008  1
  Fe  Fe87  1  0.420076  0.768998  0.458608  1
  Fe  Fe88  1  0.779222  0.991385  0.433008  1
  Fe  Fe89  1  0.086743  0.768998  0.458608  1
  Fe  Fe90  1  0.753409  0.768998  0.458608  1
  Fe  Fe91  1  0.481953  0.224242  0.463800  1
  Fe  Fe92  1  0.148620  0.224242  0.463800  1
  Fe  Fe93  1  0.456051  0.001893  0.489445  1
  Fe  Fe94  1  0.815286  0.224242  0.463800  1
  Fe  Fe95  1  0.122717  0.001893  0.489445  1
  Fe  Fe96  1  0.507837  0.446497  0.438175  1
  Fe  Fe97  1  0.789384  0.001893  0.489445  1
  Fe  Fe98  1  0.174504  0.446497  0.438175  1
  Fe  Fe99  1  0.841171  0.446497  0.438175  1
  Fe  Fe100  1  0.231115  0.530912  0.480638  1
  Fe  Fe101  1  0.897782  0.530912  0.480638  1
  Fe  Fe102  1  0.282883  0.975528  0.429348  1
  Fe  Fe103  1  0.564449  0.530912  0.480638  1
  Fe  Fe104  1  0.949550  0.975528  0.429348  1
  Fe  Fe105  1  0.257003  0.753264  0.454991  1
  Fe  Fe106  1  0.616217  0.975528  0.429348  1
  Fe  Fe107  1  0.923670  0.753264  0.454991  1
  Fe  Fe108  1  0.590336  0.753264  0.454991  1
  Fe  Fe109  1  0.267167  0.763823  0.511441  1
  Fe  Fe110  1  0.933833  0.763823  0.511441  1
  Fe  Fe111  1  0.241232  0.541511  0.537105  1
  Fe  Fe112  1  0.600500  0.763823  0.511441  1
  Fe  Fe113  1  0.907899  0.541511  0.537105  1
  Fe  Fe114  1  0.215323  0.319116  0.562754  1
  Fe  Fe115  1  0.574565  0.541511  0.537105  1
  Fe  Fe116  1  0.881990  0.319116  0.562754  1
  Fe  Fe117  1  0.548657  0.319116  0.562754  1
  Fe  Fe118  1  0.316385  0.879783  0.561206  1
  Fe  Fe119  1  0.983051  0.879783  0.561206  1
  Fe  Fe120  1  0.368207  0.324402  0.509923  1
  Fe  Fe121  1  0.649718  0.879783  0.561206  1
  Fe  Fe122  1  0.034874  0.324402  0.509923  1
  Fe  Fe123  1  0.342306  0.102073  0.535562  1
  Fe  Fe124  1  0.701540  0.324402  0.509923  1
  Fe  Fe125  1  0.008972  0.102073  0.535562  1
  Fe  Fe126  1  0.675639  0.102073  0.535562  1
  Fe  Fe127  1  0.404258  0.557271  0.540729  1
  Fe  Fe128  1  0.070925  0.557271  0.540729  1
  Fe  Fe129  1  0.378404  0.334972  0.566385  1
  Fe  Fe130  1  0.737591  0.557271  0.540729  1
  Fe  Fe131  1  0.045071  0.334972  0.566385  1
  Fe  Fe132  1  0.430148  0.779599  0.515081  1
  Fe  Fe133  1  0.711737  0.334972  0.566385  1
  Fe  Fe134  1  0.096815  0.779599  0.515081  1
  Fe  Fe135  1  0.763481  0.779599  0.515081  1
  Fe  Fe136  1  0.153429  0.864003  0.557561  1
  Fe  Fe137  1  0.820095  0.864003  0.557561  1
  Fe  Fe138  1  0.205224  0.308611  0.506284  1
  Fe  Fe139  1  0.486762  0.864003  0.557561  1
  Fe  Fe140  1  0.871890  0.308611  0.506284  1
  Fe  Fe141  1  0.179324  0.086286  0.531931  1
  Fe  Fe142  1  0.538557  0.308611  0.506284  1
  Fe  Fe143  1  0.845991  0.086286  0.531931  1
  Fe  Fe144  1  0.512657  0.086286  0.531931  1
  Fe  Fe145  1  0.189402  0.097013  0.588384  1
  Fe  Fe146  1  0.856069  0.097013  0.588384  1
  Fe  Fe147  1  0.163634  0.874828  0.613968  1
  Fe  Fe148  1  0.522735  0.097013  0.588384  1
  Fe  Fe149  1  0.830300  0.874828  0.613968  1
  Fe  Fe150  1  0.137883  0.651638  0.639599  1
  Fe  Fe151  1  0.496967  0.874828  0.613968  1
  Fe  Fe152  1  0.804549  0.651638  0.639599  1
  Fe  Fe153  1  0.471216  0.651638  0.639599  1
  Fe  Fe154  1  0.238887  0.212831  0.638159  1
  Fe  Fe155  1  0.905553  0.212831  0.638159  1
  Fe  Fe156  1  0.290457  0.657430  0.586840  1
  Fe  Fe157  1  0.572220  0.212831  0.638159  1
  Fe  Fe158  1  0.957124  0.657430  0.586840  1
  Fe  Fe159  1  0.264829  0.434926  0.612499  1
  Fe  Fe160  1  0.623790  0.657430  0.586840  1
  Fe  Fe161  1  0.931496  0.434926  0.612499  1
  Fe  Fe162  1  0.598163  0.434926  0.612499  1
  Fe  Fe163  1  0.326469  0.890236  0.617618  1
  Fe  Fe164  1  0.993135  0.890236  0.617618  1
  Fe  Fe165  1  0.300764  0.667940  0.643267  1
  Fe  Fe166  1  0.659802  0.890236  0.617618  1
  Fe  Fe167  1  0.967431  0.667940  0.643267  1
  Fe  Fe168  1  0.352468  0.112666  0.592025  1
  Fe  Fe169  1  0.634097  0.667940  0.643267  1
  Fe  Fe170  1  0.019135  0.112666  0.592025  1
  Fe  Fe171  1  0.685801  0.112666  0.592025  1
  Fe  Fe172  1  0.075744  0.196897  0.634575  1
  Fe  Fe173  1  0.742411  0.196897  0.634575  1
  Fe  Fe174  1  0.127532  0.641719  0.583163  1
  Fe  Fe175  1  0.409077  0.196897  0.634575  1
  Fe  Fe176  1  0.794199  0.641719  0.583163  1
  Fe  Fe177  1  0.101628  0.419196  0.608904  1
  Fe  Fe178  1  0.460866  0.641719  0.583163  1
  Fe  Fe179  1  0.768295  0.419196  0.608904  1
  Fe  Fe180  1  0.434962  0.419196  0.608904  1
  Fe  Fe181  1  0.111593  0.430523  0.665385  1
  Fe  Fe182  1  0.778259  0.430523  0.665385  1
  Fe  Fe183  1  0.086089  0.207426  0.690983  1
  Fe  Fe184  1  0.444926  0.430523  0.665385  1
  Fe  Fe185  1  0.752755  0.207426  0.690983  1
  Fe  Fe186  1  0.061444  0.981106  0.716349  1
  Fe  Fe187  1  0.419422  0.207426  0.690983  1
  Fe  Fe188  1  0.728110  0.981106  0.716349  1
  Fe  Fe189  1  0.394777  0.981106  0.716349  1
  Fe  Fe190  1  0.162480  0.544436  0.714959  1
  Fe  Fe191  1  0.829147  0.544436  0.714959  1
  Fe  Fe192  1  0.212834  0.990005  0.663763  1
  Fe  Fe193  1  0.495814  0.544436  0.714959  1
  Fe  Fe194  1  0.879501  0.990005  0.663763  1
  Fe  Fe195  1  0.188557  0.766952  0.689308  1
  Fe  Fe196  1  0.546167  0.990005  0.663763  1
  Fe  Fe197  1  0.855224  0.766952  0.689308  1
  Fe  Fe198  1  0.521890  0.766952  0.689308  1
  Fe  Fe199  1  0.248255  0.223218  0.694502  1
  Fe  Fe200  1  0.914922  0.223218  0.694502  1
  Fe  Fe201  1  0.218324  0.999074  0.718477  1
  Fe  Fe202  1  0.581588  0.223218  0.694502  1
  Fe  Fe203  1  0.884991  0.999074  0.718477  1
  Fe  Fe204  1  0.274166  0.446100  0.668873  1
  Fe  Fe205  1  0.551658  0.999074  0.718477  1
  Fe  Fe206  1  0.940833  0.446100  0.668873  1
  Fe  Fe207  1  0.607500  0.446100  0.668873  1
  Fe  Fe208  1  0.996714  0.527749  0.711004  1
  Fe  Fe209  1  0.663381  0.527749  0.711004  1
  Fe  Fe210  1  0.049856  0.975311  0.659816  1
  Fe  Fe211  1  0.330048  0.527749  0.711004  1
  Fe  Fe212  1  0.716522  0.975311  0.659816  1
  Fe  Fe213  1  0.023314  0.752191  0.685849  1
  Fe  Fe214  1  0.383189  0.975311  0.659816  1
  Fe  Fe215  1  0.689980  0.752191  0.685849  1
  Fe  Fe216  1  0.356647  0.752191  0.685849  1
  C  C217  1  0.332345  0.100057  0.331230  1
  C  C218  1  0.999011  0.100057  0.331230  1
  C  C219  1  0.383516  0.547916  0.279590  1
  C  C220  1  0.665678  0.100057  0.331230  1
  C  C221  1  0.050182  0.547916  0.279590  1
  C  C222  1  0.358208  0.321899  0.305724  1
  C  C223  1  0.716849  0.547916  0.279590  1
  C  C224  1  0.024875  0.321899  0.305724  1
  C  C225  1  0.691541  0.321899  0.305724  1
  C  C226  1  0.512406  0.710331  0.318388  1
  C  C227  1  0.179073  0.710331  0.318388  1
  C  C228  1  0.486041  0.489445  0.344062  1
  C  C229  1  0.845740  0.710331  0.318388  1
  C  C230  1  0.152708  0.489445  0.344062  1
  C  C231  1  0.537751  0.935146  0.292529  1
  C  C232  1  0.819375  0.489445  0.344062  1
  C  C233  1  0.204418  0.935146  0.292529  1
  C  C234  1  0.871084  0.935146  0.292529  1
  C  C235  1  0.254594  0.433344  0.408130  1
  C  C236  1  0.921260  0.433344  0.408130  1
  C  C237  1  0.306354  0.878107  0.356704  1
  C  C238  1  0.587927  0.433344  0.408130  1
  C  C239  1  0.973021  0.878107  0.356704  1
  C  C240  1  0.280439  0.655901  0.382488  1
  C  C241  1  0.639687  0.878107  0.356704  1
  C  C242  1  0.947106  0.655901  0.382488  1
  C  C243  1  0.613772  0.655901  0.382488  1
  C  C244  1  0.434205  0.044342  0.395299  1
  C  C245  1  0.100872  0.044342  0.395299  1
  C  C246  1  0.408319  0.822330  0.420913  1
  C  C247  1  0.767539  0.044342  0.395299  1
  C  C248  1  0.074986  0.822330  0.420913  1
  C  C249  1  0.460051  0.266858  0.369663  1
  C  C250  1  0.741653  0.822330  0.420913  1
  C  C251  1  0.126717  0.266858  0.369663  1
  C  C252  1  0.793384  0.266858  0.369663  1
  C  C253  1  0.176919  0.766405  0.485037  1
  C  C254  1  0.843586  0.766405  0.485037  1
  C  C255  1  0.228719  0.211018  0.433753  1
  C  C256  1  0.510252  0.766405  0.485037  1
  C  C257  1  0.895386  0.211018  0.433753  1
  C  C258  1  0.202831  0.988745  0.459406  1
  C  C259  1  0.562053  0.211018  0.433753  1
  C  C260  1  0.869498  0.988745  0.459406  1
  C  C261  1  0.536164  0.988745  0.459406  1
  C  C262  1  0.356535  0.377569  0.472222  1
  C  C263  1  0.023202  0.377569  0.472222  1
  C  C264  1  0.330640  0.155274  0.497863  1
  C  C265  1  0.689868  0.377569  0.472222  1
  C  C266  1  0.997307  0.155274  0.497863  1
  C  C267  1  0.382423  0.599920  0.446576  1
  C  C268  1  0.663973  0.155274  0.497863  1
  C  C269  1  0.049090  0.599920  0.446576  1
  C  C270  1  0.715756  0.599920  0.446576  1
  C  C271  1  0.099202  0.099490  0.561972  1
  C  C272  1  0.765868  0.099490  0.561972  1
  C  C273  1  0.151027  0.544103  0.510686  1
  C  C274  1  0.432535  0.099490  0.561972  1
  C  C275  1  0.817693  0.544103  0.510686  1
  C  C276  1  0.125124  0.321780  0.536328  1
  C  C277  1  0.484360  0.544103  0.510686  1
  C  C278  1  0.791790  0.321780  0.536328  1
  C  C279  1  0.458457  0.321780  0.536328  1
  C  C280  1  0.278840  0.710636  0.549141  1
  C  C281  1  0.945506  0.710636  0.549141  1
  C  C282  1  0.252957  0.488188  0.574800  1
  C  C283  1  0.612173  0.710636  0.549141  1
  C  C284  1  0.919623  0.488188  0.574800  1
  C  C285  1  0.304735  0.932943  0.523505  1
  C  C286  1  0.586290  0.488188  0.574800  1
  C  C287  1  0.971401  0.932943  0.523505  1
  C  C288  1  0.638068  0.932943  0.523505  1
  C  C289  1  0.021565  0.432393  0.638960  1
  C  C290  1  0.688231  0.432393  0.638960  1
  C  C291  1  0.073322  0.877186  0.587603  1
  C  C292  1  0.354898  0.432393  0.638960  1
  C  C293  1  0.739988  0.877186  0.587603  1
  C  C294  1  0.047482  0.654749  0.613211  1
  C  C295  1  0.406655  0.877186  0.587603  1
  C  C296  1  0.714149  0.654749  0.613211  1
  C  C297  1  0.380816  0.654749  0.613211  1
  C  C298  1  0.201172  0.043890  0.626087  1
  C  C299  1  0.867839  0.043890  0.626087  1
  C  C300  1  0.175257  0.821013  0.651643  1
  C  C301  1  0.534505  0.043890  0.626087  1
  C  C302  1  0.841923  0.821013  0.651643  1
  C  C303  1  0.227059  0.266008  0.600458  1
  C  C304  1  0.508590  0.821013  0.651643  1
  C  C305  1  0.893725  0.266008  0.600458  1
  C  C306  1  0.560392  0.266008  0.600458  1
  C  C307  1  0.944673  0.762623  0.716139  1
  C  C308  1  0.611340  0.762623  0.716139  1
  C  C309  1  0.995580  0.210496  0.664625  1
  C  C310  1  0.278006  0.762623  0.716139  1
  C  C311  1  0.662247  0.210496  0.664625  1
  C  C312  1  0.970281  0.987854  0.689949  1
  C  C313  1  0.328913  0.210496  0.664625  1
  C  C314  1  0.636948  0.987854  0.689949  1
  C  C315  1  0.303614  0.987854  0.689949  1
  C  C316  1  0.123148  0.377142  0.703078  1
  C  C317  1  0.789814  0.377142  0.703078  1
  C  C318  1  0.095187  0.154311  0.728684  1
  C  C319  1  0.456481  0.377142  0.703078  1
  C  C320  1  0.761854  0.154311  0.728684  1
  C  C321  1  0.148935  0.600092  0.677358  1
  C  C322  1  0.428520  0.154311  0.728684  1
  C  C323  1  0.815602  0.600092  0.677358  1
  C  C324  1  0.482269  0.600092  0.677358  1
