# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.16129745
_cell_length_b   6.42688931
_cell_length_c   47.60783650
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   61.07454997
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe144 C48'
_cell_volume   4328.00242919
_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  0.526677  0.708801  0.301550  1
  Fe  Fe2  1  0.817801  0.597925  0.320111  1
  Fe  Fe3  1  0.233310  0.848294  0.285333  1
  Fe  Fe4  1  0.403264  0.214631  0.302297  1
  Fe  Fe5  1  0.693772  0.094958  0.320589  1
  Fe  Fe6  1  0.121870  0.310534  0.285443  1
  Fe  Fe7  1  0.543049  0.282092  0.293345  1
  Fe  Fe8  1  0.840382  0.162008  0.311283  1
  Fe  Fe9  1  0.130937  0.050561  0.329348  1
  Fe  Fe10  1  0.248330  0.574792  0.325164  1
  Fe  Fe11  1  0.667090  0.799540  0.288351  1
  Fe  Fe12  1  0.958031  0.687901  0.306109  1
  Fe  Fe13  1  0.380870  0.639260  0.312669  1
  Fe  Fe14  1  0.670298  0.534925  0.330678  1
  Fe  Fe15  1  0.095102  0.744964  0.293886  1
  Fe  Fe16  1  0.265185  0.117138  0.316495  1
  Fe  Fe17  1  0.679087  0.343987  0.280856  1
  Fe  Fe18  1  0.974901  0.226785  0.297957  1
  Fe  Fe19  1  0.399234  0.376985  0.357303  1
  Fe  Fe20  1  0.689942  0.267250  0.376061  1
  Fe  Fe21  1  0.109105  0.485771  0.338784  1
  Fe  Fe22  1  0.275373  0.873281  0.357777  1
  Fe  Fe23  1  0.565641  0.765827  0.376308  1
  Fe  Fe24  1  0.984139  0.985904  0.339216  1
  Fe  Fe25  1  0.424384  0.936584  0.347237  1
  Fe  Fe26  1  0.713660  0.828243  0.365511  1
  Fe  Fe27  1  0.003911  0.717900  0.384262  1
  Fe  Fe28  1  0.119320  0.243657  0.379629  1
  Fe  Fe29  1  0.538481  0.463581  0.342124  1
  Fe  Fe30  1  0.828826  0.353443  0.360928  1
  Fe  Fe31  1  0.251195  0.313307  0.368045  1
  Fe  Fe32  1  0.541810  0.203834  0.386617  1
  Fe  Fe33  1  0.960254  0.424576  0.349347  1
  Fe  Fe34  1  0.135933  0.787594  0.372674  1
  Fe  Fe35  1  0.555603  0.008548  0.335251  1
  Fe  Fe36  1  0.846072  0.898177  0.353667  1
  Fe  Fe37  1  0.270912  0.046544  0.413081  1
  Fe  Fe38  1  0.561178  0.937256  0.431598  1
  Fe  Fe39  1  0.980467  0.156321  0.394576  1
  Fe  Fe40  1  0.146272  0.544578  0.413284  1
  Fe  Fe41  1  0.436617  0.435521  0.431868  1
  Fe  Fe42  1  0.855785  0.654882  0.394610  1
  Fe  Fe43  1  0.294732  0.607635  0.402722  1
  Fe  Fe44  1  0.585338  0.497807  0.421133  1
  Fe  Fe45  1  0.875450  0.388373  0.439686  1
  Fe  Fe46  1  0.990276  0.915359  0.435357  1
  Fe  Fe47  1  0.409861  0.134419  0.398275  1
  Fe  Fe48  1  0.700072  0.024828  0.416757  1
  Fe  Fe49  1  0.122383  0.984417  0.423622  1
  Fe  Fe50  1  0.412955  0.874250  0.442161  1
  Fe  Fe51  1  0.831601  0.095186  0.405114  1
  Fe  Fe52  1  0.007380  0.457871  0.427835  1
  Fe  Fe53  1  0.426617  0.677453  0.391133  1
  Fe  Fe54  1  0.717210  0.567402  0.409206  1
  Fe  Fe55  1  0.141471  0.718126  0.468489  1
  Fe  Fe56  1  0.432018  0.608056  0.487062  1
  Fe  Fe57  1  0.851129  0.827799  0.449922  1
  Fe  Fe58  1  0.017139  0.216335  0.468882  1
  Fe  Fe59  1  0.307643  0.106162  0.487426  1
  Fe  Fe60  1  0.726780  0.326572  0.450360  1
  Fe  Fe61  1  0.165672  0.278872  0.458264  1
  Fe  Fe62  1  0.455935  0.169187  0.476815  1
  Fe  Fe63  1  0.746231  0.059634  0.495348  1
  Fe  Fe64  1  0.861519  0.586047  0.490737  1
  Fe  Fe65  1  0.280683  0.805719  0.453878  1
  Fe  Fe66  1  0.571186  0.696166  0.472363  1
  Fe  Fe67  1  0.993443  0.655099  0.479156  1
  Fe  Fe68  1  0.283582  0.545282  0.497671  1
  Fe  Fe69  1  0.703703  0.764247  0.460633  1
  Fe  Fe70  1  0.878133  0.128731  0.483633  1
  Fe  Fe71  1  0.297538  0.348201  0.446550  1
  Fe  Fe72  1  0.587810  0.238549  0.465153  1
  Fe  Fe73  1  0.012551  0.388704  0.524146  1
  Fe  Fe74  1  0.303178  0.278155  0.542644  1
  Fe  Fe75  1  0.722324  0.498505  0.505618  1
  Fe  Fe76  1  0.888350  0.886813  0.524506  1
  Fe  Fe77  1  0.178825  0.776420  0.542967  1
  Fe  Fe78  1  0.598100  0.996433  0.505912  1
  Fe  Fe79  1  0.036496  0.949706  0.513800  1
  Fe  Fe80  1  0.326846  0.839502  0.532246  1
  Fe  Fe81  1  0.617602  0.730810  0.551065  1
  Fe  Fe82  1  0.732705  0.256732  0.546398  1
  Fe  Fe83  1  0.151762  0.476174  0.509318  1
  Fe  Fe84  1  0.442401  0.366712  0.527907  1
  Fe  Fe85  1  0.864678  0.325807  0.534821  1
  Fe  Fe86  1  0.154880  0.216221  0.553305  1
  Fe  Fe87  1  0.574483  0.435894  0.516332  1
  Fe  Fe88  1  0.749414  0.799013  0.539197  1
  Fe  Fe89  1  0.168473  0.018829  0.502158  1
  Fe  Fe90  1  0.458917  0.909532  0.520691  1
  Fe  Fe91  1  0.883671  0.059422  0.579719  1
  Fe  Fe92  1  0.174001  0.949666  0.598131  1
  Fe  Fe93  1  0.593336  0.169954  0.561127  1
  Fe  Fe94  1  0.759490  0.557744  0.580425  1
  Fe  Fe95  1  0.049715  0.448192  0.598583  1
  Fe  Fe96  1  0.469109  0.667220  0.561271  1
  Fe  Fe97  1  0.907718  0.620328  0.569421  1
  Fe  Fe98  1  0.197822  0.510860  0.587764  1
  Fe  Fe99  1  0.488390  0.400918  0.606354  1
  Fe  Fe100  1  0.603998  0.926925  0.601892  1
  Fe  Fe101  1  0.022745  0.147776  0.564927  1
  Fe  Fe102  1  0.313192  0.037710  0.583479  1
  Fe  Fe103  1  0.735585  0.996024  0.590365  1
  Fe  Fe104  1  0.026804  0.887876  0.609069  1
  Fe  Fe105  1  0.445550  0.106310  0.571834  1
  Fe  Fe106  1  0.620590  0.470276  0.594869  1
  Fe  Fe107  1  0.039511  0.689517  0.557694  1
  Fe  Fe108  1  0.329928  0.579268  0.576191  1
  Fe  Fe109  1  0.754206  0.730538  0.635764  1
  Fe  Fe110  1  0.044067  0.623910  0.653952  1
  Fe  Fe111  1  0.464549  0.839503  0.616536  1
  Fe  Fe112  1  0.630721  0.227169  0.635875  1
  Fe  Fe113  1  0.920737  0.119404  0.653717  1
  Fe  Fe114  1  0.340513  0.337383  0.616939  1
  Fe  Fe115  1  0.778633  0.290396  0.624928  1
  Fe  Fe116  1  0.068892  0.184107  0.643866  1
  Fe  Fe117  1  0.358090  0.070048  0.661009  1
  Fe  Fe118  1  0.475436  0.598113  0.657144  1
  Fe  Fe119  1  0.894253  0.819858  0.620525  1
  Fe  Fe120  1  0.184192  0.709596  0.638759  1
  Fe  Fe121  1  0.607333  0.666814  0.646450  1
  Fe  Fe122  1  0.896878  0.556096  0.664398  1
  Fe  Fe123  1  0.316313  0.776387  0.627112  1
  Fe  Fe124  1  0.490920  0.136118  0.650494  1
  Fe  Fe125  1  0.910607  0.361761  0.613346  1
  Fe  Fe126  1  0.200976  0.249395  0.631863  1
  Fe  Fe127  1  0.628126  0.392791  0.690104  1
  Fe  Fe128  1  0.920501  0.281267  0.708468  1
  Fe  Fe129  1  0.334022  0.510399  0.672802  1
  Fe  Fe130  1  0.500829  0.895902  0.691779  1
  Fe  Fe131  1  0.790854  0.788412  0.709715  1
  Fe  Fe132  1  0.212232  0.006901  0.672675  1
  Fe  Fe133  1  0.648391  0.958459  0.679393  1
  Fe  Fe134  1  0.941145  0.846476  0.698287  1
  Fe  Fe135  1  0.229686  0.727304  0.714644  1
  Fe  Fe136  1  0.340752  0.244979  0.712167  1
  Fe  Fe137  1  0.764106  0.484932  0.676400  1
  Fe  Fe138  1  0.053386  0.369229  0.694210  1
  Fe  Fe139  1  0.477854  0.340084  0.701842  1
  Fe  Fe140  1  0.769881  0.222730  0.719872  1
  Fe  Fe141  1  0.186527  0.445351  0.682485  1
  Fe  Fe142  1  0.364296  0.812444  0.705489  1
  Fe  Fe143  1  0.780815  0.030670  0.668955  1
  Fe  Fe144  1  0.073833  0.920180  0.687605  1
  C  C145  1  0.456599  0.594901  0.279792  1
  C  C146  1  0.750663  0.474640  0.298534  1
  C  C147  1  0.040860  0.365186  0.317290  1
  C  C148  1  0.534465  0.994677  0.295744  1
  C  C149  1  0.825829  0.883267  0.314115  1
  C  C150  1  0.116238  0.772612  0.333095  1
  C  C151  1  0.332150  0.251825  0.336032  1
  C  C152  1  0.622302  0.145115  0.354548  1
  C  C153  1  0.912632  0.034314  0.373133  1
  C  C154  1  0.407595  0.662106  0.351519  1
  C  C155  1  0.697413  0.552781  0.369623  1
  C  C156  1  0.987801  0.442180  0.388258  1
  C  C157  1  0.203301  0.924000  0.391621  1
  C  C158  1  0.493722  0.814303  0.410133  1
  C  C159  1  0.783884  0.704234  0.428456  1
  C  C160  1  0.278354  0.332479  0.406950  1
  C  C161  1  0.568682  0.223200  0.425544  1
  C  C162  1  0.858791  0.113722  0.444032  1
  C  C163  1  0.074038  0.594789  0.447077  1
  C  C164  1  0.364388  0.485266  0.465652  1
  C  C165  1  0.654750  0.375746  0.484175  1
  C  C166  1  0.149187  0.003921  0.462550  1
  C  C167  1  0.439703  0.893853  0.481092  1
  C  C168  1  0.730156  0.784036  0.499589  1
  C  C169  1  0.945004  0.265976  0.502685  1
  C  C170  1  0.235379  0.156005  0.521205  1
  C  C171  1  0.525993  0.046312  0.539724  1
  C  C172  1  0.020337  0.674267  0.518086  1
  C  C173  1  0.310836  0.563886  0.536580  1
  C  C174  1  0.601390  0.455368  0.555254  1
  C  C175  1  0.816134  0.936465  0.558291  1
  C  C176  1  0.106274  0.827239  0.576705  1
  C  C177  1  0.396995  0.716791  0.595073  1
  C  C178  1  0.891340  0.345262  0.573766  1
  C  C179  1  0.181730  0.235482  0.592236  1
  C  C180  1  0.472657  0.124947  0.610758  1
  C  C181  1  0.687022  0.607562  0.614163  1
  C  C182  1  0.977404  0.499307  0.632376  1
  C  C183  1  0.267488  0.389119  0.650592  1
  C  C184  1  0.762633  0.014787  0.629290  1
  C  C185  1  0.053215  0.907836  0.648027  1
  C  C186  1  0.343912  0.792368  0.666050  1
  C  C187  1  0.556727  0.277394  0.669291  1
  C  C188  1  0.849708  0.164169  0.687643  1
  C  C189  1  0.141643  0.054521  0.706769  1
  C  C190  1  0.633009  0.683712  0.685550  1
  C  C191  1  0.922849  0.574986  0.703417  1
  C  C192  1  0.211210  0.458291  0.721743  1
