# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57772017
_cell_length_b   16.17650076
_cell_length_c   48.57320795
_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   'Fe126 C42'
_cell_volume   3596.91860804
_cell_formula_units_Z   42
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  0.498574  0.524958  0.315387  1
  Fe  Fe2  1  0.507110  0.253416  0.293081  1
  Fe  Fe3  1  0.532242  0.979368  0.272397  1
  Fe  Fe4  1  0.990035  0.745005  0.281873  1
  Fe  Fe5  1  1.002524  0.283089  0.325883  1
  Fe  Fe6  1  0.006802  0.013187  0.303605  1
  Fe  Fe7  1  0.007493  0.586184  0.295081  1
  Fe  Fe8  1  0.027093  0.322571  0.274167  1
  Fe  Fe9  1  0.008593  0.852886  0.317408  1
  Fe  Fe10  1  0.513702  0.829416  0.288651  1
  Fe  Fe11  1  0.514714  0.565446  0.266856  1
  Fe  Fe12  1  0.503585  0.098178  0.310711  1
  Fe  Fe13  1  0.492917  0.682563  0.303460  1
  Fe  Fe14  1  0.484983  0.411764  0.280710  1
  Fe  Fe15  1  0.503223  0.953331  0.324776  1
  Fe  Fe16  1  0.003924  0.708416  0.331020  1
  Fe  Fe17  1  0.996826  0.440233  0.308765  1
  Fe  Fe18  1  0.997521  0.172390  0.286489  1
  Fe  Fe19  1  0.501824  0.331454  0.382141  1
  Fe  Fe20  1  0.502504  0.062328  0.359794  1
  Fe  Fe21  1  0.502338  0.792959  0.337996  1
  Fe  Fe22  1  1.001991  0.552666  0.348991  1
  Fe  Fe23  1  1.002015  0.090801  0.393000  1
  Fe  Fe24  1  1.000822  0.821669  0.370911  1
  Fe  Fe25  1  1.001848  0.392153  0.361242  1
  Fe  Fe26  1  0.003268  0.122533  0.338823  1
  Fe  Fe27  1  1.002102  0.661003  0.383742  1
  Fe  Fe28  1  0.502583  0.636869  0.355923  1
  Fe  Fe29  1  0.499548  0.367398  0.333708  1
  Fe  Fe30  1  0.503674  0.906151  0.377926  1
  Fe  Fe31  1  0.500748  0.491559  0.369610  1
  Fe  Fe32  1  0.501812  0.222881  0.347310  1
  Fe  Fe33  1  0.503631  0.761694  0.391966  1
  Fe  Fe34  1  1.002692  0.516090  0.397547  1
  Fe  Fe35  1  0.003784  0.247039  0.375004  1
  Fe  Fe36  1  0.005228  0.977712  0.352676  1
  Fe  Fe37  1  0.501375  0.139148  0.448766  1
  Fe  Fe38  1  0.501568  0.870251  0.426691  1
  Fe  Fe39  1  0.503187  0.600576  0.404591  1
  Fe  Fe40  1  1.002399  0.359992  0.415355  1
  Fe  Fe41  1  1.001300  0.898703  0.459840  1
  Fe  Fe42  1  0.003106  0.629396  0.437683  1
  Fe  Fe43  1  1.001636  0.199385  0.427867  1
  Fe  Fe44  1  1.002959  0.930693  0.405734  1
  Fe  Fe45  1  1.001803  0.468582  0.450218  1
  Fe  Fe46  1  0.502775  0.444438  0.422341  1
  Fe  Fe47  1  0.504127  0.175607  0.399840  1
  Fe  Fe48  1  0.502076  0.713851  0.444700  1
  Fe  Fe49  1  0.501342  0.299410  0.436194  1
  Fe  Fe50  1  0.502296  0.030419  0.413878  1
  Fe  Fe51  1  0.501899  0.568941  0.458569  1
  Fe  Fe52  1  1.002894  0.323700  0.464094  1
  Fe  Fe53  1  0.004369  0.054689  0.441801  1
  Fe  Fe54  1  1.002524  0.785655  0.419834  1
  Fe  Fe55  1  0.501594  0.947044  0.515657  1
  Fe  Fe56  1  0.502631  0.677709  0.493396  1
  Fe  Fe57  1  0.502586  0.408228  0.471132  1
  Fe  Fe58  1  1.001594  0.167639  0.482004  1
  Fe  Fe59  1  1.002586  0.706456  0.526529  1
  Fe  Fe60  1  1.002631  0.436975  0.504265  1
  Fe  Fe61  1  1.002183  0.007442  0.494702  1
  Fe  Fe62  1  1.002438  0.738299  0.472550  1
  Fe  Fe63  1  1.002436  0.276152  0.516856  1
  Fe  Fe64  1  0.503312  0.252220  0.488960  1
  Fe  Fe65  1  0.504165  0.983216  0.466821  1
  Fe  Fe66  1  0.502469  0.521519  0.511225  1
  Fe  Fe67  1  0.502183  0.107241  0.502958  1
  Fe  Fe68  1  0.502436  0.838531  0.480804  1
  Fe  Fe69  1  0.502438  0.376385  0.525111  1
  Fe  Fe70  1  0.004165  0.131467  0.530840  1
  Fe  Fe71  1  0.003312  0.862463  0.508701  1
  Fe  Fe72  1  1.002469  0.593165  0.486436  1
  Fe  Fe73  1  0.502399  0.754692  0.582306  1
  Fe  Fe74  1  0.503106  0.485287  0.559978  1
  Fe  Fe75  1  0.501300  0.215980  0.537821  1
  Fe  Fe76  1  1.001375  0.975536  0.548895  1
  Fe  Fe77  1  0.003187  0.514108  0.593070  1
  Fe  Fe78  1  1.001568  0.244432  0.570970  1
  Fe  Fe79  1  1.001342  0.815273  0.561466  1
  Fe  Fe80  1  1.001899  0.545742  0.539092  1
  Fe  Fe81  1  1.002296  0.084265  0.583783  1
  Fe  Fe82  1  0.504369  0.059994  0.555860  1
  Fe  Fe83  1  0.502894  0.790984  0.533567  1
  Fe  Fe84  1  0.502524  0.329029  0.577827  1
  Fe  Fe85  1  0.501636  0.915298  0.569794  1
  Fe  Fe86  1  0.501803  0.646102  0.547443  1
  Fe  Fe87  1  0.502959  0.183991  0.591927  1
  Fe  Fe88  1  0.004127  0.939076  0.597821  1
  Fe  Fe89  1  1.002775  0.670245  0.575319  1
  Fe  Fe90  1  1.002076  0.400833  0.552961  1
  Fe  Fe91  1  0.501991  0.562017  0.648670  1
  Fe  Fe92  1  0.500822  0.293014  0.626749  1
  Fe  Fe93  1  0.502015  0.023883  0.604661  1
  Fe  Fe94  1  1.001824  0.783229  0.615520  1
  Fe  Fe95  1  1.002338  0.321725  0.659665  1
  Fe  Fe96  1  1.002504  0.052355  0.637867  1
  Fe  Fe97  1  1.000748  0.623125  0.628051  1
  Fe  Fe98  1  0.003631  0.352989  0.605695  1
  Fe  Fe99  1  1.001812  0.891803  0.650351  1
  Fe  Fe100  1  0.503784  0.867645  0.622657  1
  Fe  Fe101  1  0.502692  0.598594  0.600114  1
  Fe  Fe102  1  0.505228  0.136972  0.644985  1
  Fe  Fe103  1  0.501848  0.722530  0.636419  1
  Fe  Fe104  1  0.502102  0.453680  0.613918  1
  Fe  Fe105  1  0.503268  0.992150  0.658838  1
  Fe  Fe106  1  0.999548  0.747286  0.663953  1
  Fe  Fe107  1  1.002583  0.477815  0.641737  1
  Fe  Fe108  1  0.003674  0.208533  0.619735  1
  Fe  Fe109  1  0.490035  0.369678  0.715788  1
  Fe  Fe110  1  0.506802  0.101497  0.694056  1
  Fe  Fe111  1  0.502524  0.831594  0.671778  1
  Fe  Fe112  1  0.998574  0.589725  0.682274  1
  Fe  Fe113  1  0.032242  0.135316  0.725264  1
  Fe  Fe114  1  0.007110  0.861268  0.704579  1
  Fe  Fe115  1  0.992917  0.432120  0.694200  1
  Fe  Fe116  1  0.003223  0.161352  0.672885  1
  Fe  Fe117  1  0.984983  0.702919  0.716951  1
  Fe  Fe118  1  0.496826  0.674450  0.688896  1
  Fe  Fe119  1  0.503924  0.406267  0.666641  1
  Fe  Fe120  1  0.497521  0.942293  0.711172  1
  Fe  Fe121  1  0.507493  0.528499  0.702580  1
  Fe  Fe122  1  0.508593  0.261797  0.680253  1
  Fe  Fe123  1  0.527093  0.792112  0.723494  1
  Fe  Fe124  1  0.014714  0.549237  0.730805  1
  Fe  Fe125  1  0.013702  0.285268  0.709010  1
  Fe  Fe126  1  0.003585  0.016505  0.686950  1
  C  C127  1  0.752231  0.615132  0.324969  1
  C  C128  1  0.747702  0.346467  0.302593  1
  C  C129  1  0.757005  0.077043  0.279972  1
  C  C130  1  0.249050  0.655833  0.272526  1
  C  C131  1  0.254350  0.191805  0.317094  1
  C  C132  1  0.254478  0.921024  0.294785  1
  C  C133  1  0.752365  0.422583  0.391390  1
  C  C134  1  0.753633  0.153458  0.368902  1
  C  C135  1  0.752278  0.884555  0.346888  1
  C  C136  1  0.251329  0.461595  0.339406  1
  C  C137  1  0.252709  -0.000310  0.383770  1
  C  C138  1  0.252588  0.730474  0.362029  1
  C  C139  1  0.752266  0.230236  0.457974  1
  C  C140  1  0.752602  0.961415  0.435784  1
  C  C141  1  0.752372  0.692043  0.413797  1
  C  C142  1  0.251980  0.268683  0.406073  1
  C  C143  1  0.252604  0.807605  0.450741  1
  C  C144  1  0.252460  0.537956  0.428485  1
  C  C145  1  0.752642  0.038146  0.524815  1
  C  C146  1  0.752237  0.769084  0.502602  1
  C  C147  1  0.752473  0.499568  0.480310  1
  C  C148  1  0.252642  0.076538  0.472846  1
  C  C149  1  0.252473  0.615116  0.517350  1
  C  C150  1  0.252237  0.345599  0.495059  1
  C  C151  1  0.751980  0.846000  0.591588  1
  C  C152  1  0.752460  0.576727  0.569176  1
  C  C153  1  0.752604  0.307078  0.546920  1
  C  C154  1  0.252266  0.884447  0.539687  1
  C  C155  1  0.252372  0.422640  0.583863  1
  C  C156  1  0.252602  0.153269  0.561877  1
  C  C157  1  0.751329  0.653088  0.658255  1
  C  C158  1  0.752588  0.384209  0.635632  1
  C  C159  1  0.752709  0.114993  0.613891  1
  C  C160  1  0.252365  0.692100  0.606271  1
  C  C161  1  0.252278  0.230128  0.650773  1
  C  C162  1  0.253633  0.961225  0.628759  1
  C  C163  1  0.749050  0.458851  0.725135  1
  C  C164  1  0.754478  0.193660  0.702876  1
  C  C165  1  0.754350  0.922879  0.680566  1
  C  C166  1  0.252231  0.499552  0.672692  1
  C  C167  1  0.257005  0.037640  0.717689  1
  C  C168  1  0.247702  0.768216  0.695068  1
