# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68089507
_cell_length_b   15.72002156
_cell_length_c   56.60193476
_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   'Fe144 C48'
_cell_volume   4164.98382798
_cell_formula_units_Z   48
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  0.186928  0.149997  0.282299  1
  Fe  Fe2  1  0.185155  0.884601  0.320423  1
  Fe  Fe3  1  0.181730  0.615872  0.357026  1
  Fe  Fe4  1  0.669140  0.865038  0.279712  1
  Fe  Fe5  1  0.685874  0.595357  0.316818  1
  Fe  Fe6  1  0.680904  0.328079  0.354110  1
  Fe  Fe7  1  0.402220  0.100151  0.360586  1
  Fe  Fe8  1  0.404949  0.635252  0.286077  1
  Fe  Fe9  1  0.400570  0.368256  0.323589  1
  Fe  Fe10  1  0.449142  0.207851  0.322797  1
  Fe  Fe11  1  0.452721  0.938704  0.359560  1
  Fe  Fe12  1  0.447662  0.472057  0.285682  1
  Fe  Fe13  1  0.706984  0.943494  0.312939  1
  Fe  Fe14  1  0.707089  0.675412  0.349881  1
  Fe  Fe15  1  0.706839  0.208728  0.275680  1
  Fe  Fe16  1  0.206626  0.268204  0.361024  1
  Fe  Fe17  1  0.199062  0.803820  0.288042  1
  Fe  Fe18  1  0.207891  0.535643  0.324127  1
  Fe  Fe19  1  0.952570  0.005332  0.351328  1
  Fe  Fe20  1  0.961398  0.536786  0.277976  1
  Fe  Fe21  1  0.952045  0.273316  0.314236  1
  Fe  Fe22  1  0.926558  0.156268  0.351740  1
  Fe  Fe23  1  0.914840  0.690646  0.277729  1
  Fe  Fe24  1  0.926608  0.423301  0.314266  1
  Fe  Fe25  1  0.426193  0.054993  0.322862  1
  Fe  Fe26  1  0.426447  0.787285  0.359472  1
  Fe  Fe27  1  0.423653  0.321738  0.286053  1
  Fe  Fe28  1  0.658094  0.041825  0.276292  1
  Fe  Fe29  1  0.659944  0.771364  0.313454  1
  Fe  Fe30  1  0.659184  0.503523  0.350488  1
  Fe  Fe31  1  0.902380  0.112324  0.313900  1
  Fe  Fe32  1  0.904096  0.844088  0.350769  1
  Fe  Fe33  1  0.904937  0.377650  0.276004  1
  Fe  Fe34  1  0.159822  0.975402  0.286423  1
  Fe  Fe35  1  0.157594  0.707484  0.323564  1
  Fe  Fe36  1  0.157435  0.440139  0.360472  1
  Fe  Fe37  1  0.181987  0.347809  0.394061  1
  Fe  Fe38  1  0.182210  0.079618  0.431155  1
  Fe  Fe39  1  0.182084  0.811135  0.468188  1
  Fe  Fe40  1  0.682520  0.059394  0.391075  1
  Fe  Fe41  1  0.682190  0.790973  0.428063  1
  Fe  Fe42  1  0.681884  0.522659  0.465127  1
  Fe  Fe43  1  0.401676  0.294848  0.471616  1
  Fe  Fe44  1  0.401779  0.831671  0.397523  1
  Fe  Fe45  1  0.401375  0.563230  0.434549  1
  Fe  Fe46  1  0.450808  0.402401  0.433740  1
  Fe  Fe47  1  0.451233  0.133748  0.470746  1
  Fe  Fe48  1  0.451932  0.670475  0.396640  1
  Fe  Fe49  1  0.706499  0.139247  0.424082  1
  Fe  Fe50  1  0.706228  0.870714  0.461075  1
  Fe  Fe51  1  0.706005  0.407563  0.387062  1
  Fe  Fe52  1  0.206237  0.462989  0.472194  1
  Fe  Fe53  1  0.207009  -0.000312  0.398159  1
  Fe  Fe54  1  0.206392  0.731322  0.435195  1
  Fe  Fe55  1  0.951044  0.199919  0.462560  1
  Fe  Fe56  1  0.951141  0.736650  0.388497  1
  Fe  Fe57  1  0.951205  0.468421  0.425461  1
  Fe  Fe58  1  0.926053  0.351198  0.462835  1
  Fe  Fe59  1  0.926645  0.887951  0.388758  1
  Fe  Fe60  1  0.926140  0.619539  0.425753  1
  Fe  Fe61  1  0.426197  0.250971  0.433502  1
  Fe  Fe62  1  0.426034  0.982499  0.470459  1
  Fe  Fe63  1  0.425882  0.519351  0.396401  1
  Fe  Fe64  1  0.659651  0.235259  0.387699  1
  Fe  Fe65  1  0.658657  0.966886  0.424565  1
  Fe  Fe66  1  0.658790  0.698366  0.461633  1
  Fe  Fe67  1  0.901377  0.307361  0.424684  1
  Fe  Fe68  1  0.901741  0.038957  0.461709  1
  Fe  Fe69  1  0.901170  0.575573  0.387626  1
  Fe  Fe70  1  0.158146  0.172029  0.397585  1
  Fe  Fe71  1  0.158896  0.903752  0.434591  1
  Fe  Fe72  1  0.158804  0.635246  0.471633  1
  Fe  Fe73  1  0.181619  0.542561  0.505214  1
  Fe  Fe74  1  0.181129  0.274219  0.542259  1
  Fe  Fe75  1  0.180897  0.005819  0.579249  1
  Fe  Fe76  1  0.682084  0.254059  0.502148  1
  Fe  Fe77  1  0.681997  0.985624  0.539172  1
  Fe  Fe78  1  0.681901  0.717539  0.576284  1
  Fe  Fe79  1  0.400667  0.489825  0.582695  1
  Fe  Fe80  1  0.401484  0.026256  0.508608  1
  Fe  Fe81  1  0.401265  0.757860  0.545646  1
  Fe  Fe82  1  0.451246  0.596844  0.544889  1
  Fe  Fe83  1  0.450403  0.328637  0.581833  1
  Fe  Fe84  1  0.451005  0.865301  0.507774  1
  Fe  Fe85  1  0.705851  0.333928  0.535152  1
  Fe  Fe86  1  0.705349  0.065569  0.572150  1
  Fe  Fe87  1  0.706252  0.602257  0.498151  1
  Fe  Fe88  1  0.206182  0.657775  0.583266  1
  Fe  Fe89  1  0.206008  0.194500  0.509248  1
  Fe  Fe90  1  0.206175  0.926033  0.546242  1
  Fe  Fe91  1  0.951010  0.394816  0.573688  1
  Fe  Fe92  1  0.951135  0.931461  0.499567  1
  Fe  Fe93  1  0.950853  0.662878  0.536603  1
  Fe  Fe94  1  0.925982  0.546025  0.573890  1
  Fe  Fe95  1  0.925794  0.082734  0.499850  1
  Fe  Fe96  1  0.925885  0.814294  0.536829  1
  Fe  Fe97  1  0.425606  0.445768  0.544585  1
  Fe  Fe98  1  0.425099  0.177415  0.581574  1
  Fe  Fe99  1  0.426089  0.714059  0.507493  1
  Fe  Fe100  1  0.658536  0.430005  0.498714  1
  Fe  Fe101  1  0.657978  0.161522  0.535739  1
  Fe  Fe102  1  0.657472  0.893260  0.572761  1
  Fe  Fe103  1  0.901151  0.502047  0.535787  1
  Fe  Fe104  1  0.900766  0.233604  0.572769  1
  Fe  Fe105  1  0.901704  0.770393  0.498718  1
  Fe  Fe106  1  0.158606  0.366856  0.508712  1
  Fe  Fe107  1  0.158033  0.098368  0.545752  1
  Fe  Fe108  1  0.158736  0.830031  0.582679  1
  Fe  Fe109  1  0.180991  0.737307  0.616219  1
  Fe  Fe110  1  0.190238  0.470018  0.653493  1
  Fe  Fe111  1  0.202332  0.202303  0.690431  1
  Fe  Fe112  1  0.681070  0.449412  0.613273  1
  Fe  Fe113  1  0.678189  0.180985  0.649847  1
  Fe  Fe114  1  0.683655  0.915512  0.688073  1
  Fe  Fe115  1  0.403766  0.687601  0.694345  1
  Fe  Fe116  1  0.398722  0.221756  0.619567  1
  Fe  Fe117  1  0.399226  0.952935  0.656469  1
  Fe  Fe118  1  0.450343  0.791860  0.656125  1
  Fe  Fe119  1  0.465231  0.529153  0.692175  1
  Fe  Fe120  1  0.448915  0.060078  0.618907  1
  Fe  Fe121  1  0.710013  0.529610  0.646141  1
  Fe  Fe122  1  0.707018  0.260785  0.682625  1
  Fe  Fe123  1  0.705761  0.797121  0.609297  1
  Fe  Fe124  1  0.203957  0.856540  0.694722  1
  Fe  Fe125  1  0.205375  0.389890  0.620468  1
  Fe  Fe126  1  0.199856  0.120593  0.656948  1
  Fe  Fe127  1  0.949865  0.593410  0.684621  1
  Fe  Fe128  1  0.948840  0.126858  0.610684  1
  Fe  Fe129  1  0.948770  0.857588  0.647598  1
  Fe  Fe130  1  0.920460  0.743737  0.684002  1
  Fe  Fe131  1  0.924378  0.278245  0.610683  1
  Fe  Fe132  1  0.921007  0.009773  0.647501  1
  Fe  Fe133  1  0.428673  0.641847  0.656123  1
  Fe  Fe134  1  0.419857  0.375800  0.692926  1
  Fe  Fe135  1  0.425786  0.908946  0.618591  1
  Fe  Fe136  1  0.657733  0.625301  0.609868  1
  Fe  Fe137  1  0.657506  0.357242  0.646798  1
  Fe  Fe138  1  0.660761  0.090864  0.683656  1
  Fe  Fe139  1  0.901087  0.696642  0.646643  1
  Fe  Fe140  1  0.909488  0.429217  0.684133  1
  Fe  Fe141  1  0.900716  0.965034  0.609717  1
  Fe  Fe142  1  0.159894  0.561770  0.619787  1
  Fe  Fe143  1  0.160145  0.293854  0.656737  1
  Fe  Fe144  1  0.155540  0.024801  0.693796  1
  C  C145  1  0.062539  0.001080  0.318636  1
  C  C146  1  0.062455  0.732777  0.355839  1
  C  C147  1  0.061795  0.266458  0.281571  1
  C  C148  1  0.545141  0.129871  0.297890  1
  C  C149  1  0.548768  0.861498  0.334457  1
  C  C150  1  0.543275  0.394573  0.260628  1
  C  C151  1  0.563143  0.211055  0.355390  1
  C  C152  1  0.554727  0.747758  0.281292  1
  C  C153  1  0.564027  0.478699  0.318186  1
  C  C154  1  1.039552  0.884182  0.266119  1
  C  C155  1  1.050285  0.617224  0.302463  1
  C  C156  1  1.043943  0.349810  0.339614  1
  C  C157  1  0.062443  0.196472  0.429899  1
  C  C158  1  0.062110  0.927965  0.466896  1
  C  C159  1  0.062337  0.464671  0.392795  1
  C  C160  1  0.545651  0.325666  0.408501  1
  C  C161  1  0.546298  0.057164  0.445477  1
  C  C162  1  0.545935  0.593800  0.371363  1
  C  C163  1  0.562278  0.405793  0.466399  1
  C  C164  1  0.562834  0.942522  0.392249  1
  C  C165  1  0.562266  0.674133  0.429324  1
  C  C166  1  1.046395  0.081542  0.376720  1
  C  C167  1  1.046422  0.813275  0.413752  1
  C  C168  1  1.045858  0.544914  0.450762  1
  C  C169  1  0.061763  0.391110  0.541013  1
  C  C170  1  0.061268  0.122692  0.578052  1
  C  C171  1  0.062305  0.659452  0.503943  1
  C  C172  1  0.545615  0.520360  0.519578  1
  C  C173  1  0.545226  0.252000  0.556569  1
  C  C174  1  0.546200  0.788727  0.482506  1
  C  C175  1  0.562530  0.600652  0.577551  1
  C  C176  1  0.561880  0.137248  0.503424  1
  C  C177  1  0.562112  0.868784  0.540442  1
  C  C178  1  1.046128  0.276530  0.487822  1
  C  C179  1  1.045986  0.008075  0.524835  1
  C  C180  1  1.045534  0.739652  0.561835  1
  C  C181  1  0.066176  0.586467  0.652122  1
  C  C182  1  0.062757  0.317195  0.689078  1
  C  C183  1  0.062191  0.854242  0.614986  1
  C  C184  1  0.543880  0.715521  0.630749  1
  C  C185  1  0.554343  0.447962  0.667885  1
  C  C186  1  0.544830  0.983732  0.593600  1
  C  C187  1  0.559105  0.799015  0.688808  1
  C  C188  1  0.560871  0.332603  0.614510  1
  C  C189  1  0.558377  0.064246  0.651610  1
  C  C190  1  1.045352  0.471548  0.598943  1
  C  C191  1  1.043147  0.204088  0.635825  1
  C  C192  1  1.042395  0.935613  0.672551  1
