# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59201726
_cell_length_b   16.89758770
_cell_length_c   56.09716876
_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   4352.80452252
_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  0.986778  0.495669  0.278149  1
  Fe  Fe2  1  0.939982  0.892497  0.351875  1
  Fe  Fe3  1  0.954281  0.170624  0.313477  1
  Fe  Fe4  1  0.058201  0.645522  0.297144  1
  Fe  Fe5  1  0.062524  0.086517  0.372475  1
  Fe  Fe6  1  0.070057  0.364904  0.335637  1
  Fe  Fe7  1  0.360022  0.576268  0.328199  1
  Fe  Fe8  1  0.343098  0.857540  0.290811  1
  Fe  Fe9  1  0.365661  0.296249  0.365943  1
  Fe  Fe10  1  0.914153  0.633387  0.343652  1
  Fe  Fe11  1  0.870533  0.902835  0.308617  1
  Fe  Fe12  1  0.921508  0.353376  0.381628  1
  Fe  Fe13  1  0.136155  0.761105  0.369657  1
  Fe  Fe14  1  0.121055  0.039202  0.333896  1
  Fe  Fe15  1  0.126429  0.322803  0.295322  1
  Fe  Fe16  1  0.864684  0.513341  0.317733  1
  Fe  Fe17  1  0.852879  0.794588  0.278836  1
  Fe  Fe18  1  0.862220  0.230146  0.351602  1
  Fe  Fe19  1  0.093157  0.769583  0.323689  1
  Fe  Fe20  1  0.192241  0.019548  0.291230  1
  Fe  Fe21  1  0.080784  0.490714  0.361373  1
  Fe  Fe22  1  0.560780  0.722179  0.307479  1
  Fe  Fe23  1  0.566496  0.163066  0.382292  1
  Fe  Fe24  1  0.573484  0.441697  0.346225  1
  Fe  Fe25  1  0.431881  0.640046  0.365106  1
  Fe  Fe26  1  0.408278  0.923476  0.327812  1
  Fe  Fe27  1  0.433422  0.196588  0.292455  1
  Fe  Fe28  1  0.530083  0.586961  0.284637  1
  Fe  Fe29  1  0.569031  0.035299  0.357600  1
  Fe  Fe30  1  0.574734  0.312797  0.320765  1
  Fe  Fe31  1  0.645708  0.772767  0.345995  1
  Fe  Fe32  1  0.663291  0.050908  0.309046  1
  Fe  Fe33  1  0.637635  0.491751  0.384433  1
  Fe  Fe34  1  0.431541  0.451706  0.300633  1
  Fe  Fe35  1  0.418186  0.894841  0.373774  1
  Fe  Fe36  1  0.424946  0.173857  0.336901  1
  Fe  Fe37  1  0.935229  0.613723  0.388432  1
  Fe  Fe38  1  0.933730  0.052750  0.463404  1
  Fe  Fe39  1  0.936348  0.332162  0.426246  1
  Fe  Fe40  1  0.067898  0.806786  0.409020  1
  Fe  Fe41  1  0.065603  0.249373  0.483719  1
  Fe  Fe42  1  0.065606  0.529299  0.446339  1
  Fe  Fe43  1  0.362216  0.739570  0.439354  1
  Fe  Fe44  1  0.358768  0.018127  0.402913  1
  Fe  Fe45  1  0.361429  0.459802  0.476533  1
  Fe  Fe46  1  0.915549  0.795543  0.455002  1
  Fe  Fe47  1  0.916598  0.074156  0.418498  1
  Fe  Fe48  1  0.917275  0.516018  0.492072  1
  Fe  Fe49  1  0.139265  0.921029  0.481924  1
  Fe  Fe50  1  0.139331  0.200643  0.444968  1
  Fe  Fe51  1  0.137671  0.480700  0.407263  1
  Fe  Fe52  1  0.860901  0.674047  0.425510  1
  Fe  Fe53  1  0.859508  0.952473  0.389059  1
  Fe  Fe54  1  0.862340  0.394743  0.463289  1
  Fe  Fe55  1  0.084227  0.932411  0.435133  1
  Fe  Fe56  1  0.088416  0.210635  0.398141  1
  Fe  Fe57  1  0.082919  0.653476  0.471717  1
  Fe  Fe58  1  0.565427  0.884846  0.419310  1
  Fe  Fe59  1  0.566813  0.325293  0.493418  1
  Fe  Fe60  1  0.564457  0.604882  0.455911  1
  Fe  Fe61  1  0.433672  0.801182  0.476287  1
  Fe  Fe62  1  0.433817  0.080439  0.439895  1
  Fe  Fe63  1  0.434495  0.359488  0.402796  1
  Fe  Fe64  1  0.585199  0.760455  0.393302  1
  Fe  Fe65  1  0.582500  0.200540  0.467981  1
  Fe  Fe66  1  0.580352  0.480547  0.430631  1
  Fe  Fe67  1  0.639004  0.932520  0.458034  1
  Fe  Fe68  1  0.641558  0.211766  0.421139  1
  Fe  Fe69  1  0.638594  0.653321  0.494878  1
  Fe  Fe70  1  0.418600  0.618827  0.410242  1
  Fe  Fe71  1  0.418112  0.058462  0.484755  1
  Fe  Fe72  1  0.418704  0.337637  0.447722  1
  Fe  Fe73  1  0.933093  0.773253  0.500148  1
  Fe  Fe74  1  0.934197  0.214831  0.574563  1
  Fe  Fe75  1  0.934390  0.494474  0.537052  1
  Fe  Fe76  1  0.066887  0.969372  0.520534  1
  Fe  Fe77  1  0.066365  0.411005  0.594582  1
  Fe  Fe78  1  0.066534  0.690360  0.557379  1
  Fe  Fe79  1  0.361293  0.901027  0.550697  1
  Fe  Fe80  1  0.360993  0.180168  0.513906  1
  Fe  Fe81  1  0.361730  0.621469  0.587588  1
  Fe  Fe82  1  0.916926  0.957408  0.566359  1
  Fe  Fe83  1  0.916436  0.235937  0.529520  1
  Fe  Fe84  1  0.916996  0.677311  0.603152  1
  Fe  Fe85  1  0.139921  0.083397  0.593123  1
  Fe  Fe86  1  0.138318  0.362643  0.555642  1
  Fe  Fe87  1  0.139233  0.642300  0.518512  1
  Fe  Fe88  1  0.860101  0.835367  0.537078  1
  Fe  Fe89  1  0.862031  0.114797  0.500352  1
  Fe  Fe90  1  0.861551  0.556071  0.574034  1
  Fe  Fe91  1  0.085200  0.094192  0.546292  1
  Fe  Fe92  1  0.082022  0.373510  0.509144  1
  Fe  Fe93  1  0.082691  0.814737  0.583042  1
  Fe  Fe94  1  0.567198  0.046284  0.530541  1
  Fe  Fe95  1  0.565907  0.487214  0.604318  1
  Fe  Fe96  1  0.565578  0.766602  0.567223  1
  Fe  Fe97  1  0.434662  0.963172  0.587717  1
  Fe  Fe98  1  0.433535  0.242200  0.550830  1
  Fe  Fe99  1  0.434594  0.521669  0.513537  1
  Fe  Fe100  1  0.584874  0.921363  0.504794  1
  Fe  Fe101  1  0.581482  0.362653  0.578876  1
  Fe  Fe102  1  0.583921  0.642682  0.541546  1
  Fe  Fe103  1  0.639568  0.094682  0.569150  1
  Fe  Fe104  1  0.638662  0.373681  0.532347  1
  Fe  Fe105  1  0.638997  0.814587  0.606199  1
  Fe  Fe106  1  0.413745  0.779799  0.521351  1
  Fe  Fe107  1  0.415852  0.220583  0.595958  1
  Fe  Fe108  1  0.417569  0.500157  0.558500  1
  Fe  Fe109  1  0.934546  0.935232  0.611101  1
  Fe  Fe110  1  0.933005  0.378436  0.686091  1
  Fe  Fe111  1  0.933794  0.655915  0.648564  1
  Fe  Fe112  1  0.064104  0.131641  0.631958  1
  Fe  Fe113  1  0.058608  0.575563  0.705649  1
  Fe  Fe114  1  0.065745  0.851958  0.668334  1
  Fe  Fe115  1  0.360202  0.062584  0.662257  1
  Fe  Fe116  1  0.362313  0.341901  0.624860  1
  Fe  Fe117  1  0.361227  0.785482  0.699215  1
  Fe  Fe118  1  0.922370  0.118664  0.677382  1
  Fe  Fe119  1  0.921477  0.399106  0.640106  1
  Fe  Fe120  1  0.909822  0.840754  0.714180  1
  Fe  Fe121  1  0.147084  0.242748  0.703702  1
  Fe  Fe122  1  0.141868  0.525178  0.667141  1
  Fe  Fe123  1  0.138020  0.803382  0.629520  1
  Fe  Fe124  1  0.862338  0.997834  0.648194  1
  Fe  Fe125  1  0.861516  0.276736  0.611514  1
  Fe  Fe126  1  0.866237  0.718083  0.685163  1
  Fe  Fe127  1  0.076780  0.256791  0.657327  1
  Fe  Fe128  1  0.082862  0.535957  0.619982  1
  Fe  Fe129  1  0.071202  0.978750  0.693345  1
  Fe  Fe130  1  0.565445  0.208352  0.641934  1
  Fe  Fe131  1  0.571523  0.645757  0.714817  1
  Fe  Fe132  1  0.565942  0.928342  0.678374  1
  Fe  Fe133  1  0.444742  0.120394  0.699978  1
  Fe  Fe134  1  0.438713  0.403702  0.661976  1
  Fe  Fe135  1  0.433310  0.683066  0.624465  1
  Fe  Fe136  1  0.585670  0.083605  0.616063  1
  Fe  Fe137  1  0.586616  0.525235  0.689614  1
  Fe  Fe138  1  0.578362  0.802635  0.652620  1
  Fe  Fe139  1  0.630363  0.255281  0.681531  1
  Fe  Fe140  1  0.638421  0.535658  0.643176  1
  Fe  Fe141  1  0.626619  0.972817  0.717808  1
  Fe  Fe142  1  0.420559  0.940794  0.632464  1
  Fe  Fe143  1  0.436811  0.379460  0.706663  1
  Fe  Fe144  1  0.417388  0.661022  0.669785  1
  C  C145  1  0.287856  0.554132  0.384185  1
  C  C146  1  0.293190  0.833933  0.346709  1
  C  C147  1  0.301771  0.107743  0.310916  1
  C  C148  1  0.785055  0.699262  0.369513  1
  C  C149  1  0.771715  0.976642  0.333411  1
  C  C150  1  0.784108  0.257399  0.296252  1
  C  C151  1  0.709040  0.618196  0.314143  1
  C  C152  1  0.695778  0.899921  0.277493  1
  C  C153  1  0.718019  0.336850  0.352124  1
  C  C154  1  0.206784  0.750025  0.291242  1
  C  C155  1  0.212542  0.190451  0.365986  1
  C  C156  1  0.220855  0.469149  0.329758  1
  C  C157  1  0.287327  0.715044  0.495153  1
  C  C158  1  0.287287  0.994025  0.458635  1
  C  C159  1  0.289265  0.273034  0.421590  1
  C  C160  1  0.787494  0.859551  0.481312  1
  C  C161  1  0.787799  0.139047  0.444582  1
  C  C162  1  0.787784  0.418371  0.407525  1
  C  C163  1  0.713239  0.780417  0.425367  1
  C  C164  1  0.710804  0.058737  0.389043  1
  C  C165  1  0.712260  0.500840  0.462565  1
  C  C166  1  0.210641  0.911806  0.403069  1
  C  C167  1  0.213310  0.353498  0.477177  1
  C  C168  1  0.211407  0.633529  0.439667  1
  C  C169  1  0.288186  0.876516  0.606362  1
  C  C170  1  0.287726  0.156130  0.569749  1
  C  C171  1  0.287723  0.435556  0.532385  1
  C  C172  1  0.787969  0.021997  0.592511  1
  C  C173  1  0.787461  0.300735  0.555621  1
  C  C174  1  0.787855  0.580624  0.518201  1
  C  C175  1  0.713050  0.941796  0.536821  1
  C  C176  1  0.712350  0.220951  0.499963  1
  C  C177  1  0.712749  0.662316  0.573603  1
  C  C178  1  0.213273  0.073809  0.514259  1
  C  C179  1  0.212649  0.515254  0.588013  1
  C  C180  1  0.211910  0.794840  0.551011  1
  C  C181  1  0.276271  0.035016  0.717919  1
  C  C182  1  0.282417  0.318437  0.680668  1
  C  C183  1  0.286984  0.597310  0.643485  1
  C  C184  1  0.794290  0.181597  0.703915  1
  C  C185  1  0.791617  0.463069  0.666357  1
  C  C186  1  0.787484  0.741346  0.629403  1
  C  C187  1  0.710283  0.103750  0.648205  1
  C  C188  1  0.712704  0.382970  0.610827  1
  C  C189  1  0.711602  0.823695  0.684465  1
  C  C190  1  0.212244  0.235798  0.625530  1
  C  C191  1  0.217852  0.678653  0.699421  1
  C  C192  1  0.213733  0.956099  0.661873  1
