# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40253357
_cell_length_b   7.94108680
_cell_length_c   47.37727720
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.84721933
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe126 C63'
_cell_volume   3524.83604772
_cell_formula_units_Z   63
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  0.447069  0.648475  0.283268  1
  Fe  Fe2  1  0.499370  0.375517  0.265225  1
  Fe  Fe3  1  0.487619  0.915914  0.312123  1
  Fe  Fe4  1  0.780403  0.315142  0.283268  1
  Fe  Fe5  1  0.832704  0.042184  0.265225  1
  Fe  Fe6  1  0.113736  0.981808  0.283268  1
  Fe  Fe7  1  0.820953  0.582581  0.312123  1
  Fe  Fe8  1  0.166037  0.708851  0.265225  1
  Fe  Fe9  1  0.154286  0.249248  0.312123  1
  Fe  Fe10  1  0.398553  0.544199  0.325752  1
  Fe  Fe11  1  0.379862  0.269628  0.303825  1
  Fe  Fe12  1  0.368542  0.990416  0.273895  1
  Fe  Fe13  1  0.731887  0.210866  0.325752  1
  Fe  Fe14  1  0.713195  0.936294  0.303825  1
  Fe  Fe15  1  0.065220  0.877532  0.325752  1
  Fe  Fe16  1  0.701875  0.657083  0.273895  1
  Fe  Fe17  1  0.046529  0.602961  0.303825  1
  Fe  Fe18  1  0.035209  0.323749  0.273895  1
  Fe  Fe19  1  0.532006  0.455266  0.356511  1
  Fe  Fe20  1  0.513653  0.184846  0.334482  1
  Fe  Fe21  1  0.551902  0.723925  0.378548  1
  Fe  Fe22  1  0.865339  0.121932  0.356511  1
  Fe  Fe23  1  0.846986  0.851512  0.334482  1
  Fe  Fe24  1  0.198672  0.788599  0.356511  1
  Fe  Fe25  1  0.885235  0.390592  0.378548  1
  Fe  Fe26  1  0.180320  0.518179  0.334482  1
  Fe  Fe27  1  0.218568  0.057258  0.378548  1
  Fe  Fe28  1  0.453533  0.346356  0.393075  1
  Fe  Fe29  1  0.434196  0.078642  0.371223  1
  Fe  Fe30  1  0.414683  0.810208  0.349329  1
  Fe  Fe31  1  0.786867  0.013023  0.393075  1
  Fe  Fe32  1  0.767530  0.745309  0.371223  1
  Fe  Fe33  1  0.120200  0.679689  0.393075  1
  Fe  Fe34  1  0.748016  0.476874  0.349329  1
  Fe  Fe35  1  0.100863  0.411976  0.371223  1
  Fe  Fe36  1  0.081350  0.143541  0.349329  1
  Fe  Fe37  1  0.590316  0.260017  0.422350  1
  Fe  Fe38  1  0.571238  0.991984  0.400385  1
  Fe  Fe39  1  0.609347  0.528590  0.444543  1
  Fe  Fe40  1  0.923649  0.926683  0.422350  1
  Fe  Fe41  1  0.904571  0.658651  0.400385  1
  Fe  Fe42  1  0.256983  0.593350  0.422350  1
  Fe  Fe43  1  0.942680  0.195257  0.444543  1
  Fe  Fe44  1  0.237904  0.325318  0.400385  1
  Fe  Fe45  1  0.276014  0.861924  0.444543  1
  Fe  Fe46  1  0.511088  0.152340  0.459319  1
  Fe  Fe47  1  0.491691  0.883682  0.437203  1
  Fe  Fe48  1  0.472389  0.614813  0.415058  1
  Fe  Fe49  1  0.844422  0.819006  0.459319  1
  Fe  Fe50  1  0.825024  0.550349  0.437203  1
  Fe  Fe51  1  0.177755  0.485673  0.459319  1
  Fe  Fe52  1  0.805723  0.281479  0.415058  1
  Fe  Fe53  1  0.158358  0.217015  0.437203  1
  Fe  Fe54  1  0.139056  0.948146  0.415058  1
  Fe  Fe55  1  0.647721  0.065973  0.488713  1
  Fe  Fe56  1  0.628505  0.797363  0.466686  1
  Fe  Fe57  1  0.666843  0.334461  0.510718  1
  Fe  Fe58  1  0.981055  0.732639  0.488713  1
  Fe  Fe59  1  0.961839  0.464029  0.466686  1
  Fe  Fe60  1  0.314388  0.399306  0.488713  1
  Fe  Fe61  1  0.000176  0.001128  0.510718  1
  Fe  Fe62  1  0.295172  0.130696  0.466686  1
  Fe  Fe63  1  0.333510  0.667795  0.510718  1
  Fe  Fe64  1  0.568546  0.957905  0.525399  1
  Fe  Fe65  1  0.549330  0.689295  0.503372  1
  Fe  Fe66  1  0.530208  0.420806  0.481367  1
  Fe  Fe67  1  0.901879  0.624572  0.525399  1
  Fe  Fe68  1  0.882663  0.355962  0.503372  1
  Fe  Fe69  1  0.235213  0.291239  0.525399  1
  Fe  Fe70  1  0.863541  0.087473  0.481367  1
  Fe  Fe71  1  0.215996  0.022628  0.503372  1
  Fe  Fe72  1  0.196875  0.754140  0.481367  1
  Fe  Fe73  1  0.705360  0.871586  0.554882  1
  Fe  Fe74  1  0.685963  0.602928  0.532766  1
  Fe  Fe75  1  0.724662  0.140455  0.577027  1
  Fe  Fe76  1  0.038693  0.538252  0.554882  1
  Fe  Fe77  1  0.019296  0.269595  0.532766  1
  Fe  Fe78  1  0.372027  0.204919  0.554882  1
  Fe  Fe79  1  0.057995  0.807122  0.577027  1
  Fe  Fe80  1  0.352629  0.936261  0.532766  1
  Fe  Fe81  1  0.391328  0.473788  0.577027  1
  Fe  Fe82  1  0.625813  0.763283  0.591700  1
  Fe  Fe83  1  0.606735  0.495251  0.569735  1
  Fe  Fe84  1  0.587704  0.226678  0.547542  1
  Fe  Fe85  1  0.959147  0.429950  0.591700  1
  Fe  Fe86  1  0.940068  0.161918  0.569735  1
  Fe  Fe87  1  0.292480  0.096617  0.591700  1
  Fe  Fe88  1  0.921037  0.893344  0.547542  1
  Fe  Fe89  1  0.273402  0.828584  0.569735  1
  Fe  Fe90  1  0.254371  0.560011  0.547542  1
  Fe  Fe91  1  0.762855  0.676625  0.620862  1
  Fe  Fe92  1  0.743518  0.408912  0.599010  1
  Fe  Fe93  1  0.782368  0.945060  0.642756  1
  Fe  Fe94  1  0.096188  0.343292  0.620862  1
  Fe  Fe95  1  0.076851  0.075578  0.599010  1
  Fe  Fe96  1  0.429521  0.009959  0.620862  1
  Fe  Fe97  1  0.115701  0.611727  0.642756  1
  Fe  Fe98  1  0.410184  0.742245  0.599010  1
  Fe  Fe99  1  0.449035  0.278393  0.642756  1
  Fe  Fe100  1  0.683398  0.570422  0.657603  1
  Fe  Fe101  1  0.665045  0.300002  0.635574  1
  Fe  Fe102  1  0.645149  0.031343  0.613537  1
  Fe  Fe103  1  0.016731  0.237089  0.657603  1
  Fe  Fe104  1  0.998379  0.966669  0.635574  1
  Fe  Fe105  1  0.350065  0.903755  0.657603  1
  Fe  Fe106  1  0.978483  0.698009  0.613537  1
  Fe  Fe107  1  0.331712  0.633335  0.635574  1
  Fe  Fe108  1  0.311816  0.364676  0.613537  1
  Fe  Fe109  1  0.817189  0.485640  0.688260  1
  Fe  Fe110  1  0.798498  0.211069  0.666333  1
  Fe  Fe111  1  0.828509  0.764852  0.718190  1
  Fe  Fe112  1  0.150522  0.152307  0.688260  1
  Fe  Fe113  1  0.131831  0.877735  0.666333  1
  Fe  Fe114  1  0.483856  0.818973  0.688260  1
  Fe  Fe115  1  0.161842  0.431518  0.718190  1
  Fe  Fe116  1  0.465164  0.544402  0.666333  1
  Fe  Fe117  1  0.495176  0.098185  0.718190  1
  Fe  Fe118  1  0.697681  0.379750  0.726860  1
  Fe  Fe119  1  0.749982  0.106793  0.708817  1
  Fe  Fe120  1  0.709432  0.839353  0.679962  1
  Fe  Fe121  1  0.031014  0.046417  0.726860  1
  Fe  Fe122  1  0.083315  0.773459  0.708817  1
  Fe  Fe123  1  0.364347  0.713084  0.726860  1
  Fe  Fe124  1  0.042765  0.506020  0.679962  1
  Fe  Fe125  1  0.416648  0.440126  0.708817  1
  Fe  Fe126  1  0.376098  0.172687  0.679962  1
  C  C127  1  0.256073  0.623481  0.298059  1
  C  C128  1  0.239933  0.339727  0.276328  1
  C  C129  1  0.277616  0.894640  0.320357  1
  C  C130  1  0.589407  0.290148  0.298059  1
  C  C131  1  0.573266  0.006393  0.276328  1
  C  C132  1  0.922740  0.956815  0.298059  1
  C  C133  1  0.610949  0.561307  0.320357  1
  C  C134  1  0.906600  0.673060  0.276328  1
  C  C135  1  0.944282  0.227973  0.320357  1
  C  C136  1  0.317144  0.433114  0.363213  1
  C  C137  1  0.297561  0.166191  0.341474  1
  C  C138  1  0.336137  0.701628  0.385613  1
  C  C139  1  0.650478  0.099781  0.363213  1
  C  C140  1  0.630894  0.832858  0.341474  1
  C  C141  1  0.983811  0.766448  0.363213  1
  C  C142  1  0.669470  0.368295  0.385613  1
  C  C143  1  0.964228  0.499524  0.341474  1
  C  C144  1  0.002803  0.034962  0.385613  1
  C  C145  1  0.374301  0.238575  0.429938  1
  C  C146  1  0.354981  0.970198  0.407927  1
  C  C147  1  0.393571  0.507096  0.451893  1
  C  C148  1  0.707635  0.905241  0.429938  1
  C  C149  1  0.688314  0.636865  0.407927  1
  C  C150  1  0.040968  0.571908  0.429938  1
  C  C151  1  0.726905  0.173762  0.451893  1
  C  C152  1  0.021648  0.303532  0.407927  1
  C  C153  1  0.060238  0.840429  0.451893  1
  C  C154  1  0.431859  0.044301  0.496042  1
  C  C155  1  0.412693  0.775690  0.473927  1
  C  C156  1  0.451025  0.312911  0.518158  1
  C  C157  1  0.765192  0.710967  0.496042  1
  C  C158  1  0.746026  0.442356  0.473927  1
  C  C159  1  0.098526  0.377634  0.496042  1
  C  C160  1  0.784358  0.979578  0.518158  1
  C  C161  1  0.079360  0.109023  0.473927  1
  C  C162  1  0.117691  0.646245  0.518158  1
  C  C163  1  0.489416  0.850026  0.562147  1
  C  C164  1  0.470146  0.581505  0.540192  1
  C  C165  1  0.508737  0.118403  0.584158  1
  C  C166  1  0.822750  0.516693  0.562147  1
  C  C167  1  0.803480  0.248172  0.540192  1
  C  C168  1  0.156083  0.183360  0.562147  1
  C  C169  1  0.842070  0.785069  0.584158  1
  C  C170  1  0.136813  0.914839  0.540192  1
  C  C171  1  0.175403  0.451736  0.584158  1
  C  C172  1  0.546573  0.655487  0.628872  1
  C  C173  1  0.527581  0.386973  0.606472  1
  C  C174  1  0.566157  0.922410  0.650611  1
  C  C175  1  0.879907  0.322153  0.628872  1
  C  C176  1  0.860915  0.053639  0.606472  1
  C  C177  1  0.213240  0.988820  0.628872  1
  C  C178  1  0.899490  0.589077  0.650611  1
  C  C179  1  0.194248  0.720306  0.606472  1
  C  C180  1  0.232824  0.255743  0.650611  1
  C  C181  1  0.607644  0.465120  0.694026  1
  C  C182  1  0.586102  0.193961  0.671728  1
  C  C183  1  0.623785  0.748874  0.715757  1
  C  C184  1  0.940978  0.131786  0.694026  1
  C  C185  1  0.919435  0.860628  0.671728  1
  C  C186  1  0.274311  0.798453  0.694026  1
  C  C187  1  0.957118  0.415541  0.715757  1
  C  C188  1  0.252769  0.527294  0.671728  1
  C  C189  1  0.290451  0.082208  0.715757  1
