# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59089661
_cell_length_b   12.34239477
_cell_length_c   51.16229636
_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   'Fe96 C32'
_cell_volume   2898.99171914
_cell_formula_units_Z   32
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  0.934556  0.105287  0.383512  1
  Fe  Fe2  1  0.936297  0.455242  0.327447  1
  Fe  Fe3  1  0.070595  0.087006  0.284306  1
  Fe  Fe4  1  0.064580  0.731745  0.339352  1
  Fe  Fe5  1  0.366115  0.010008  0.320264  1
  Fe  Fe6  1  0.360350  0.664081  0.376149  1
  Fe  Fe7  1  0.919441  0.099697  0.333663  1
  Fe  Fe8  1  0.931328  0.455900  0.278029  1
  Fe  Fe9  1  0.137085  0.290030  0.355023  1
  Fe  Fe10  1  0.123664  0.641828  0.298289  1
  Fe  Fe11  1  0.860157  0.909852  0.308911  1
  Fe  Fe12  1  0.859490  0.563981  0.364448  1
  Fe  Fe13  1  0.081374  0.270071  0.304350  1
  Fe  Fe14  1  0.081224  0.920658  0.360258  1
  Fe  Fe15  1  0.555493  0.187920  0.290285  1
  Fe  Fe16  1  0.564797  0.843187  0.345873  1
  Fe  Fe17  1  0.433300  0.122954  0.356398  1
  Fe  Fe18  1  0.426982  0.471980  0.300215  1
  Fe  Fe19  1  0.582985  0.307970  0.380127  1
  Fe  Fe20  1  0.568946  0.651871  0.326213  1
  Fe  Fe21  1  0.637949  0.286524  0.328945  1
  Fe  Fe22  1  0.618667  0.649876  0.276313  1
  Fe  Fe23  1  0.408261  0.823944  0.295530  1
  Fe  Fe24  1  0.418692  0.476500  0.351104  1
  Fe  Fe25  1  0.931802  0.408362  0.494433  1
  Fe  Fe26  1  0.933425  0.756658  0.439863  1
  Fe  Fe27  1  0.067645  0.383940  0.394413  1
  Fe  Fe28  1  0.065241  0.037390  0.450697  1
  Fe  Fe29  1  0.362115  0.315107  0.430834  1
  Fe  Fe30  1  0.362151  0.965981  0.487334  1
  Fe  Fe31  1  0.917648  0.404182  0.444533  1
  Fe  Fe32  1  0.915356  0.751131  0.389949  1
  Fe  Fe33  1  0.139934  0.593584  0.467038  1
  Fe  Fe34  1  0.138649  0.941943  0.411123  1
  Fe  Fe35  1  0.860510  0.216989  0.420045  1
  Fe  Fe36  1  0.862636  0.868097  0.476367  1
  Fe  Fe37  1  0.086477  0.573013  0.415481  1
  Fe  Fe38  1  0.077839  0.225027  0.470732  1
  Fe  Fe39  1  0.565196  0.496213  0.401040  1
  Fe  Fe40  1  0.563991  0.145708  0.456645  1
  Fe  Fe41  1  0.433099  0.427867  0.467242  1
  Fe  Fe42  1  0.433569  0.775929  0.412593  1
  Fe  Fe43  1  0.587587  0.611381  0.491678  1
  Fe  Fe44  1  0.581382  0.959659  0.436347  1
  Fe  Fe45  1  0.639963  0.590794  0.439939  1
  Fe  Fe46  1  0.638767  0.938565  0.385356  1
  Fe  Fe47  1  0.417257  0.129563  0.406454  1
  Fe  Fe48  1  0.415274  0.780428  0.462582  1
  Fe  Fe49  1  0.912325  0.710514  0.608384  1
  Fe  Fe50  1  0.935646  0.060143  0.550151  1
  Fe  Fe51  1  0.064217  0.687109  0.506323  1
  Fe  Fe52  1  0.067957  0.342598  0.560361  1
  Fe  Fe53  1  0.355365  0.624161  0.543014  1
  Fe  Fe54  1  0.362122  0.274962  0.596741  1
  Fe  Fe55  1  0.908037  0.708687  0.556548  1
  Fe  Fe56  1  0.920281  0.053662  0.500733  1
  Fe  Fe57  1  0.144614  0.897417  0.578815  1
  Fe  Fe58  1  0.139933  0.245801  0.521764  1
  Fe  Fe59  1  0.858083  0.519885  0.530620  1
  Fe  Fe60  1  0.861032  0.178456  0.586417  1
  Fe  Fe61  1  0.088113  0.873477  0.527548  1
  Fe  Fe62  1  0.082267  0.535747  0.581008  1
  Fe  Fe63  1  0.568788  0.800763  0.512819  1
  Fe  Fe64  1  0.566349  0.458141  0.567381  1
  Fe  Fe65  1  0.437828  0.732790  0.579492  1
  Fe  Fe66  1  0.437131  0.077846  0.523954  1
  Fe  Fe67  1  0.591304  0.919230  0.603120  1
  Fe  Fe68  1  0.586328  0.266210  0.546158  1
  Fe  Fe69  1  0.639016  0.893006  0.553150  1
  Fe  Fe70  1  0.636655  0.242205  0.495861  1
  Fe  Fe71  1  0.412479  0.434219  0.516865  1
  Fe  Fe72  1  0.421415  0.086654  0.572932  1
  Fe  Fe73  1  0.937940  0.034632  0.715439  1
  Fe  Fe74  1  0.909208  0.368716  0.660527  1
  Fe  Fe75  1  0.068936  0.997707  0.617281  1
  Fe  Fe76  1  0.097584  0.645228  0.673184  1
  Fe  Fe77  1  0.364936  0.927706  0.653802  1
  Fe  Fe78  1  0.380560  0.583840  0.708022  1
  Fe  Fe79  1  0.928589  0.024984  0.666355  1
  Fe  Fe80  1  0.921338  0.369899  0.609768  1
  Fe  Fe81  1  0.163074  0.215180  0.688526  1
  Fe  Fe82  1  0.160636  0.554174  0.635092  1
  Fe  Fe83  1  0.851125  0.829489  0.643796  1
  Fe  Fe84  1  0.839471  0.482492  0.696397  1
  Fe  Fe85  1  0.074709  0.192782  0.635860  1
  Fe  Fe86  1  0.068752  0.854993  0.692400  1
  Fe  Fe87  1  0.562695  0.107693  0.623196  1
  Fe  Fe88  1  0.558433  0.765947  0.680484  1
  Fe  Fe89  1  0.451518  0.051592  0.690433  1
  Fe  Fe90  1  0.446804  0.392711  0.633065  1
  Fe  Fe91  1  0.694827  0.271998  0.705878  1
  Fe  Fe92  1  0.640009  0.591503  0.655724  1
  Fe  Fe93  1  0.623274  0.208506  0.660654  1
  Fe  Fe94  1  0.627022  0.550556  0.606045  1
  Fe  Fe95  1  0.385758  0.746792  0.628432  1
  Fe  Fe96  1  0.365406  0.417966  0.679309  1
  C  C97  1  0.287947  0.022146  0.381862  1
  C  C98  1  0.288435  0.371259  0.326014  1
  C  C99  1  0.786052  0.206392  0.358268  1
  C  C100  1  0.776285  0.557100  0.302947  1
  C  C101  1  0.716837  0.053857  0.302718  1
  C  C102  1  0.712395  0.707802  0.358816  1
  C  C103  1  0.211031  0.520661  0.381914  1
  C  C104  1  0.210271  0.868145  0.326845  1
  C  C105  1  0.286112  0.325942  0.492367  1
  C  C106  1  0.287110  0.673891  0.437713  1
  C  C107  1  0.786813  0.510657  0.469303  1
  C  C108  1  0.787739  0.858440  0.414643  1
  C  C109  1  0.713184  0.360153  0.413536  1
  C  C110  1  0.712210  0.010798  0.469832  1
  C  C111  1  0.212880  0.823061  0.493807  1
  C  C112  1  0.211391  0.172531  0.437463  1
  C  C113  1  0.274214  0.633979  0.604514  1
  C  C114  1  0.288693  0.976588  0.549174  1
  C  C115  1  0.793998  0.813717  0.582329  1
  C  C116  1  0.789085  0.162036  0.524995  1
  C  C117  1  0.708926  0.663633  0.525354  1
  C  C118  1  0.712250  0.321055  0.579446  1
  C  C119  1  0.212275  0.132366  0.603528  1
  C  C120  1  0.212435  0.479355  0.547998  1
  C  C121  1  0.288701  0.949639  0.714780  1
  C  C122  1  0.275782  0.294480  0.657838  1
  C  C123  1  0.801841  0.136827  0.689888  1
  C  C124  1  0.800208  0.475815  0.635081  1
  C  C125  1  0.715276  0.973646  0.636514  1
  C  C126  1  0.731893  0.631298  0.691116  1
  C  C127  1  0.199832  0.445046  0.713192  1
  C  C128  1  0.205409  0.786834  0.660930  1
