# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48161162
_cell_length_b   15.80210204
_cell_length_c   47.43410907
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe108 C36'
_cell_volume   3359.23067572
_cell_formula_units_Z   36
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  0.311702  0.311635  0.312619  1
  Fe  Fe2  1  0.809527  0.688442  0.290518  1
  Fe  Fe3  1  0.820192  0.934401  0.336684  1
  Fe  Fe4  1  0.633390  0.107621  0.334429  1
  Fe  Fe5  1  0.139523  0.479030  0.310752  1
  Fe  Fe6  1  0.134746  0.733850  0.357945  1
  Fe  Fe7  1  0.147973  0.147929  0.313508  1
  Fe  Fe8  1  0.633869  0.527254  0.291615  1
  Fe  Fe9  1  0.659642  0.771556  0.336362  1
  Fe  Fe10  1  0.320980  0.232620  0.357376  1
  Fe  Fe11  1  0.824109  0.606504  0.335380  1
  Fe  Fe12  1  0.323183  0.981763  0.311166  1
  Fe  Fe13  1  0.790651  0.271465  0.335525  1
  Fe  Fe14  1  0.303260  0.641987  0.311862  1
  Fe  Fe15  1  0.794451  0.019913  0.288376  1
  Fe  Fe16  1  0.626911  0.182269  0.290214  1
  Fe  Fe17  1  0.639990  0.435503  0.336739  1
  Fe  Fe18  1  0.135523  0.807830  0.312476  1
  Fe  Fe19  1  0.822505  0.188518  0.385009  1
  Fe  Fe20  1  0.326360  0.560779  0.361358  1
  Fe  Fe21  1  0.324300  0.814207  0.408687  1
  Fe  Fe22  1  0.137599  0.985186  0.405707  1
  Fe  Fe23  1  0.637474  0.359135  0.381953  1
  Fe  Fe24  1  0.637490  0.612619  0.429692  1
  Fe  Fe25  1  0.662796  0.024188  0.383577  1
  Fe  Fe26  1  0.171839  0.396263  0.359198  1
  Fe  Fe27  1  0.164641  0.650389  0.407381  1
  Fe  Fe28  1  0.822248  0.112138  0.429695  1
  Fe  Fe29  1  0.323416  0.485617  0.406019  1
  Fe  Fe30  1  0.822365  0.858920  0.381281  1
  Fe  Fe31  1  0.293452  0.150751  0.407313  1
  Fe  Fe32  1  0.796787  0.523320  0.383449  1
  Fe  Fe33  1  0.299431  0.896476  0.358909  1
  Fe  Fe34  1  0.135814  0.062016  0.361300  1
  Fe  Fe35  1  0.138172  0.314043  0.408134  1
  Fe  Fe36  1  0.637648  0.687959  0.384838  1
  Fe  Fe37  1  0.323140  0.067226  0.456134  1
  Fe  Fe38  1  0.823114  0.440581  0.432389  1
  Fe  Fe39  1  0.823444  0.694149  0.480065  1
  Fe  Fe40  1  0.637201  0.865595  0.477258  1
  Fe  Fe41  1  0.136974  0.239031  0.453620  1
  Fe  Fe42  1  0.137595  0.491866  0.501214  1
  Fe  Fe43  1  0.168742  0.902898  0.454599  1
  Fe  Fe44  1  0.668678  0.276204  0.430895  1
  Fe  Fe45  1  0.666517  0.529695  0.478745  1
  Fe  Fe46  1  0.322979  0.991885  0.500891  1
  Fe  Fe47  1  0.823378  0.365473  0.477154  1
  Fe  Fe48  1  0.322836  0.738805  0.453367  1
  Fe  Fe49  1  0.796681  0.029435  0.478496  1
  Fe  Fe50  1  0.297108  0.402859  0.454797  1
  Fe  Fe51  1  0.796077  0.776685  0.430905  1
  Fe  Fe52  1  0.638464  0.940694  0.431808  1
  Fe  Fe53  1  0.637084  0.194138  0.480035  1
  Fe  Fe54  1  0.137521  0.567378  0.456258  1
  Fe  Fe55  1  0.823126  0.946950  0.527743  1
  Fe  Fe56  1  0.322934  0.320546  0.504076  1
  Fe  Fe57  1  0.323313  0.573400  0.551525  1
  Fe  Fe58  1  0.137664  0.744861  0.548632  1
  Fe  Fe59  1  0.637193  0.118310  0.524945  1
  Fe  Fe60  1  0.638107  0.371715  0.573128  1
  Fe  Fe61  1  0.666239  0.782616  0.526154  1
  Fe  Fe62  1  0.166182  0.156238  0.502485  1
  Fe  Fe63  1  0.169170  0.409382  0.550354  1
  Fe  Fe64  1  0.822540  0.871741  0.572502  1
  Fe  Fe65  1  0.323043  0.245293  0.548818  1
  Fe  Fe66  1  0.823514  0.618030  0.524837  1
  Fe  Fe67  1  0.296625  0.909438  0.550087  1
  Fe  Fe68  1  0.796924  0.283046  0.526463  1
  Fe  Fe69  1  0.294855  0.656111  0.502449  1
  Fe  Fe70  1  0.137543  0.820434  0.503702  1
  Fe  Fe71  1  0.137059  0.073569  0.551317  1
  Fe  Fe72  1  0.637448  0.446691  0.527639  1
  Fe  Fe73  1  0.322839  0.826679  0.598941  1
  Fe  Fe74  1  0.822555  0.200236  0.575315  1
  Fe  Fe75  1  0.822715  0.453318  0.623477  1
  Fe  Fe76  1  0.638503  0.624250  0.620060  1
  Fe  Fe77  1  0.137268  0.998360  0.596598  1
  Fe  Fe78  1  0.137938  0.250430  0.644467  1
  Fe  Fe79  1  0.164802  0.662005  0.597486  1
  Fe  Fe80  1  0.667535  0.036049  0.573951  1
  Fe  Fe81  1  0.667398  0.288611  0.621794  1
  Fe  Fe82  1  0.325295  0.752029  0.643526  1
  Fe  Fe83  1  0.823043  0.124368  0.619984  1
  Fe  Fe84  1  0.324679  0.497591  0.596282  1
  Fe  Fe85  1  0.797264  0.789276  0.621434  1
  Fe  Fe86  1  0.294860  0.162045  0.597706  1
  Fe  Fe87  1  0.795496  0.535336  0.574000  1
  Fe  Fe88  1  0.637298  0.699637  0.575209  1
  Fe  Fe89  1  0.636900  0.953243  0.622931  1
  Fe  Fe90  1  0.137454  0.326780  0.599303  1
  Fe  Fe91  1  0.824264  0.705868  0.669827  1
  Fe  Fe92  1  0.320051  0.080199  0.647342  1
  Fe  Fe93  1  0.327978  0.330492  0.693534  1
  Fe  Fe94  1  0.135757  0.504657  0.692066  1
  Fe  Fe95  1  0.638370  0.877147  0.668037  1
  Fe  Fe96  1  0.622581  0.128075  0.714253  1
  Fe  Fe97  1  0.659948  0.541196  0.668310  1
  Fe  Fe98  1  0.169626  0.916119  0.645721  1
  Fe  Fe99  1  0.146091  0.162603  0.690952  1
  Fe  Fe100  1  0.818075  0.617631  0.713473  1
  Fe  Fe101  1  0.310654  1.000156  0.691955  1
  Fe  Fe102  1  0.819928  0.376770  0.668396  1
  Fe  Fe103  1  0.307192  0.671248  0.693097  1
  Fe  Fe104  1  0.788587  0.040723  0.669157  1
  Fe  Fe105  1  0.295076  0.414885  0.645907  1
  Fe  Fe106  1  0.134910  0.579254  0.646852  1
  Fe  Fe107  1  0.142147  0.833047  0.694097  1
  Fe  Fe108  1  0.635350  0.205029  0.670582  1
  C  C109  1  0.969407  0.250040  0.299407  1
  C  C110  1  0.983760  0.500043  0.347837  1
  C  C111  1  0.478166  0.873961  0.322856  1
  C  C112  1  0.485664  0.415616  0.299532  1
  C  C113  1  0.477159  0.667184  0.347927  1
  C  C114  1  0.976551  0.041355  0.324338  1
  C  C115  1  0.478998  0.127970  0.371602  1
  C  C116  1  0.480567  0.379473  0.419029  1
  C  C117  1  0.980818  0.753903  0.395154  1
  C  C118  1  0.979845  0.293620  0.371114  1
  C  C119  1  0.980000  0.546603  0.419234  1
  C  C120  1  0.479747  0.919594  0.394844  1
  C  C121  1  0.980622  0.006174  0.442742  1
  C  C122  1  0.979843  0.259806  0.490661  1
  C  C123  1  0.480498  0.633140  0.466754  1
  C  C124  1  0.479679  0.173321  0.443009  1
  C  C125  1  0.480216  0.426139  0.490588  1
  C  C126  1  0.980031  0.799920  0.466660  1
  C  C127  1  0.480132  0.886200  0.514311  1
  C  C128  1  0.479742  0.139240  0.561964  1
  C  C129  1  0.980298  0.512311  0.538269  1
  C  C130  1  0.979858  0.052646  0.514289  1
  C  C131  1  0.980418  0.306232  0.562244  1
  C  C132  1  0.480646  0.679100  0.538136  1
  C  C133  1  0.979729  0.765731  0.585635  1
  C  C134  1  0.979500  0.018868  0.633632  1
  C  C135  1  0.480000  0.392215  0.610152  1
  C  C136  1  0.479853  0.932771  0.585869  1
  C  C137  1  0.479898  0.185014  0.633427  1
  C  C138  1  0.981580  0.558363  0.609671  1
  C  C139  1  0.477609  0.645748  0.656909  1
  C  C140  1  0.487104  0.896891  0.705363  1
  C  C141  1  0.977530  0.270668  0.681421  1
  C  C142  1  0.982202  0.812311  0.657158  1
  C  C143  1  0.967320  0.060899  0.705353  1
  C  C144  1  0.478475  0.438616  0.681658  1
