# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61323838
_cell_length_b   12.92796587
_cell_length_c   47.73202215
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.05862915
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe160 C64'
_cell_volume   4075.50730698
_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  0.487250  0.384518  0.283690  1
  Fe  Fe2  1  0.266207  0.808329  0.310741  1
  Fe  Fe3  1  0.659552  0.518867  0.305203  1
  Fe  Fe4  1  0.432535  0.941574  0.332770  1
  Fe  Fe5  1  0.000589  0.252295  0.289925  1
  Fe  Fe6  1  0.782917  0.675364  0.318292  1
  Fe  Fe7  1  0.661651  0.208197  0.306036  1
  Fe  Fe8  1  0.433946  0.631405  0.333878  1
  Fe  Fe9  1  0.529125  0.685606  0.284010  1
  Fe  Fe10  1  0.262068  0.120292  0.311667  1
  Fe  Fe11  1  0.343654  0.286815  0.321180  1
  Fe  Fe12  1  0.588680  0.859897  0.292455  1
  Fe  Fe13  1  0.715069  0.341065  0.335336  1
  Fe  Fe14  1  0.945469  0.917501  0.306977  1
  Fe  Fe15  1  0.349317  0.464795  0.324796  1
  Fe  Fe16  1  0.589851  0.042271  0.296422  1
  Fe  Fe17  1  0.144104  0.655506  0.298463  1
  Fe  Fe18  1  0.916090  0.076571  0.326480  1
  Fe  Fe19  1  0.975759  0.413503  0.309986  1
  Fe  Fe20  1  0.249242  0.970841  0.284029  1
  Fe  Fe21  1  0.032726  0.231946  0.340182  1
  Fe  Fe22  1  0.805066  0.655896  0.367916  1
  Fe  Fe23  1  0.202261  0.365297  0.360771  1
  Fe  Fe24  1  0.973883  0.788928  0.388356  1
  Fe  Fe25  1  0.549101  0.097044  0.345771  1
  Fe  Fe26  1  0.321234  0.521215  0.373744  1
  Fe  Fe27  1  0.203827  0.053568  0.361482  1
  Fe  Fe28  1  0.974579  0.477187  0.389353  1
  Fe  Fe29  1  0.032566  0.544398  0.340036  1
  Fe  Fe30  1  0.804929  0.966863  0.367075  1
  Fe  Fe31  1  0.885364  0.131770  0.376074  1
  Fe  Fe32  1  0.120154  0.708081  0.348760  1
  Fe  Fe33  1  0.257612  0.187954  0.390451  1
  Fe  Fe34  1  0.488198  0.764694  0.362593  1
  Fe  Fe35  1  0.891717  0.312011  0.380132  1
  Fe  Fe36  1  0.123639  0.889738  0.352495  1
  Fe  Fe37  1  0.686165  0.500378  0.355327  1
  Fe  Fe38  1  0.457102  0.923935  0.382715  1
  Fe  Fe39  1  0.518698  0.256712  0.365904  1
  Fe  Fe40  1  0.748078  0.833048  0.338356  1
  Fe  Fe41  1  0.574872  0.078932  0.395645  1
  Fe  Fe42  1  0.345421  0.502418  0.423512  1
  Fe  Fe43  1  0.743640  0.211913  0.416193  1
  Fe  Fe44  1  0.514620  0.635463  0.443971  1
  Fe  Fe45  1  0.091592  0.944000  0.401436  1
  Fe  Fe46  1  0.862111  0.367382  0.429122  1
  Fe  Fe47  1  0.745380  0.900680  0.417066  1
  Fe  Fe48  1  0.515774  0.323920  0.444797  1
  Fe  Fe49  1  0.573924  0.390401  0.394961  1
  Fe  Fe50  1  0.344807  0.813893  0.422622  1
  Fe  Fe51  1  0.426625  0.978777  0.431602  1
  Fe  Fe52  1  0.656087  0.555502  0.404004  1
  Fe  Fe53  1  0.798930  0.034697  0.445922  1
  Fe  Fe54  1  0.028404  0.611391  0.418359  1
  Fe  Fe55  1  0.432705  0.158934  0.435683  1
  Fe  Fe56  1  0.662964  0.735810  0.407947  1
  Fe  Fe57  1  0.226939  0.346884  0.410577  1
  Fe  Fe58  1  0.997839  0.770501  0.438219  1
  Fe  Fe59  1  0.061035  0.103036  0.421408  1
  Fe  Fe60  1  0.291434  0.680038  0.393797  1
  Fe  Fe61  1  0.115984  0.925805  0.451148  1
  Fe  Fe62  1  0.886490  0.349053  0.478922  1
  Fe  Fe63  1  0.284898  0.058774  0.471704  1
  Fe  Fe64  1  0.055533  0.481980  0.499406  1
  Fe  Fe65  1  0.632699  0.790849  0.456901  1
  Fe  Fe66  1  0.403290  0.214031  0.484600  1
  Fe  Fe67  1  0.286507  0.747506  0.472541  1
  Fe  Fe68  1  0.056873  0.170574  0.500288  1
  Fe  Fe69  1  0.114274  0.237130  0.450263  1
  Fe  Fe70  1  0.885254  0.660453  0.478062  1
  Fe  Fe71  1  0.968179  0.825341  0.487122  1
  Fe  Fe72  1  0.197562  0.402004  0.459414  1
  Fe  Fe73  1  0.340233  0.881326  0.501425  1
  Fe  Fe74  1  0.569525  0.457997  0.473698  1
  Fe  Fe75  1  0.973977  0.005775  0.491188  1
  Fe  Fe76  1  0.203441  0.582535  0.463452  1
  Fe  Fe77  1  0.768160  0.193691  0.465951  1
  Fe  Fe78  1  0.538774  0.617024  0.493709  1
  Fe  Fe79  1  0.602132  0.949823  0.476919  1
  Fe  Fe80  1  0.831413  0.526584  0.449177  1
  Fe  Fe81  1  0.657023  0.772459  0.506647  1
  Fe  Fe82  1  0.427659  0.195665  0.534349  1
  Fe  Fe83  1  0.826067  0.905386  0.527131  1
  Fe  Fe84  1  0.596573  0.328634  0.554905  1
  Fe  Fe85  1  0.173783  0.637414  0.512343  1
  Fe  Fe86  1  0.944397  0.060748  0.540102  1
  Fe  Fe87  1  0.827303  0.593986  0.527991  1
  Fe  Fe88  1  0.598283  0.017308  0.555789  1
  Fe  Fe89  1  0.655684  0.083865  0.505765  1
  Fe  Fe90  1  0.426049  0.506933  0.533512  1
  Fe  Fe91  1  0.509115  0.671904  0.542601  1
  Fe  Fe92  1  0.738580  0.248664  0.514865  1
  Fe  Fe93  1  0.881144  0.727854  0.556876  1
  Fe  Fe94  1  0.110425  0.304616  0.529134  1
  Fe  Fe95  1  0.514995  0.852434  0.546639  1
  Fe  Fe96  1  0.744377  0.429097  0.518931  1
  Fe  Fe97  1  0.309266  0.040408  0.521453  1
  Fe  Fe98  1  0.079858  0.463589  0.549152  1
  Fe  Fe99  1  0.143032  0.796441  0.532354  1
  Fe  Fe100  1  0.372324  0.373112  0.504628  1
  Fe  Fe101  1  0.197937  0.618975  0.562082  1
  Fe  Fe102  1  0.968917  0.042525  0.589860  1
  Fe  Fe103  1  0.367135  0.752020  0.582541  1
  Fe  Fe104  1  0.137684  0.175506  0.610407  1
  Fe  Fe105  1  0.714718  0.483937  0.567834  1
  Fe  Fe106  1  0.485617  0.907555  0.595476  1
  Fe  Fe107  1  0.367750  0.440546  0.583431  1
  Fe  Fe108  1  0.138633  0.864038  0.611092  1
  Fe  Fe109  1  0.196782  0.930518  0.561256  1
  Fe  Fe110  1  0.967177  0.353759  0.588987  1
  Fe  Fe111  1  0.049593  0.518629  0.598106  1
  Fe  Fe112  1  0.279852  0.095504  0.570370  1
  Fe  Fe113  1  0.421123  0.574401  0.612256  1
  Fe  Fe114  1  0.651522  0.151403  0.584645  1
  Fe  Fe115  1  0.056470  0.698937  0.602049  1
  Fe  Fe116  1  0.285932  0.275662  0.574451  1
  Fe  Fe117  1  0.850445  0.887057  0.576931  1
  Fe  Fe118  1  0.620965  0.310439  0.604617  1
  Fe  Fe119  1  0.684153  0.643047  0.587694  1
  Fe  Fe120  1  0.913627  0.219742  0.560131  1
  Fe  Fe121  1  0.738673  0.465510  0.617697  1
  Fe  Fe122  1  0.510296  0.889141  0.645282  1
  Fe  Fe123  1  0.907491  0.598543  0.638137  1
  Fe  Fe124  1  0.679831  0.022492  0.665871  1
  Fe  Fe125  1  0.255455  0.330503  0.623338  1
  Fe  Fe126  1  0.026391  0.754061  0.650726  1
  Fe  Fe127  1  0.907628  0.287575  0.638978  1
  Fe  Fe128  1  0.679991  0.710040  0.666017  1
  Fe  Fe129  1  0.737978  0.777251  0.616700  1
  Fe  Fe130  1  0.508729  0.200871  0.644571  1
  Fe  Fe131  1  0.588918  0.364701  0.653558  1
  Fe  Fe132  1  0.820839  0.942428  0.625921  1
  Fe  Fe133  1  0.964478  0.421390  0.667697  1
  Fe  Fe134  1  0.193859  -0.002273  0.640149  1
  Fe  Fe135  1  0.592402  0.546357  0.657293  1
  Fe  Fe136  1  0.827192  0.122669  0.629979  1
  Fe  Fe137  1  0.391323  0.733224  0.632309  1
  Fe  Fe138  1  0.163456  0.157395  0.660281  1
  Fe  Fe139  1  0.224358  0.489744  0.643460  1
  Fe  Fe140  1  0.454945  0.066485  0.615602  1
  Fe  Fe141  1  0.280022  0.312864  0.673283  1
  Fe  Fe142  1  0.053004  0.735572  0.700850  1
  Fe  Fe143  1  0.446350  0.446109  0.695312  1
  Fe  Fe144  1  0.225306  0.869921  0.722363  1
  Fe  Fe145  1  0.796467  0.177867  0.679573  1
  Fe  Fe146  1  0.568453  0.598933  0.707590  1
  Fe  Fe147  1  0.450489  0.134147  0.694386  1
  Fe  Fe148  1  0.183431  0.568833  0.722043  1
  Fe  Fe149  1  0.278611  0.623034  0.672175  1
  Fe  Fe150  1  0.050905  0.046241  0.700016  1
  Fe  Fe151  1  0.122706  0.212168  0.709631  1
  Fe  Fe152  1  0.363239  0.789644  0.681257  1
  Fe  Fe153  1  0.463315  0.283597  0.722024  1
  Fe  Fe154  1  0.736798  0.840936  0.696067  1
  Fe  Fe155  1  0.123877  0.394541  0.713598  1
  Fe  Fe156  1  0.368903  0.967623  0.684872  1
  Fe  Fe157  1  0.929640  0.579074  0.687761  1
  Fe  Fe158  1  0.711967  0.002144  0.716128  1
  Fe  Fe159  1  0.767087  0.336938  0.699076  1
  Fe  Fe160  1  0.997487  0.913373  0.670717  1
  C  C161  1  0.210892  0.349596  0.289167  1
  C  C162  1  0.990339  0.774142  0.317005  1
  C  C163  1  0.387613  0.568108  0.296617  1
  C  C164  1  0.161241  0.990624  0.323616  1
  C  C165  1  0.757911  0.339194  0.294319  1
  C  C166  1  0.535673  0.759666  0.320945  1
  C  C167  1  0.934377  0.559040  0.302277  1
  C  C168  1  0.709767  0.977528  0.329091  1
  C  C169  1  0.755562  0.196223  0.344060  1
  C  C170  1  0.527877  0.620314  0.371922  1
  C  C171  1  0.930974  0.414627  0.351766  1
  C  C172  1  0.702234  0.838235  0.379535  1
  C  C173  1  0.304265  0.182876  0.349167  1
  C  C174  1  0.075859  0.606563  0.377230  1
  C  C175  1  0.479251  0.401437  0.356959  1
  C  C176  1  0.251260  0.824456  0.384558  1
  C  C177  1  0.297561  0.043415  0.399553  1
  C  C178  1  0.068159  0.466811  0.427421  1
  C  C179  1  0.472239  0.261364  0.407280  1
  C  C180  1  0.243247  0.684987  0.435065  1
  C  C181  1  0.846362  0.029662  0.404580  1
  C  C182  1  0.616889  0.452977  0.432392  1
  C  C183  1  0.020840  0.247464  0.412186  1
  C  C184  1  0.791814  0.671079  0.439993  1
  C  C185  1  0.838760  0.890250  0.455143  1
  C  C186  1  0.609236  0.313504  0.482870  1
  C  C187  1  0.013479  0.108126  0.462764  1
  C  C188  1  0.784102  0.531467  0.490518  1
  C  C189  1  0.387479  0.876510  0.460065  1
  C  C190  1  0.157915  0.299538  0.487800  1
  C  C191  1  0.562145  0.094256  0.467694  1
  C  C192  1  0.332735  0.517600  0.495436  1
  C  C193  1  0.379822  0.736839  0.510617  1
  C  C194  1  0.150412  0.160182  0.538359  1
  C  C195  1  0.554642  0.954900  0.518252  1
  C  C196  1  0.325077  0.377929  0.545988  1
  C  C197  1  0.928454  0.722971  0.515535  1
  C  C198  1  0.699078  0.146312  0.543289  1
  C  C199  1  0.103320  0.940935  0.523183  1
  C  C200  1  0.873796  0.364189  0.550910  1
  C  C201  1  0.920743  0.583359  0.566060  1
  C  C202  1  0.691717  0.006975  0.593867  1
  C  C203  1  0.095668  0.801461  0.573661  1
  C  C204  1  0.866195  0.224777  0.601473  1
  C  C205  1  0.469310  0.569451  0.570988  1
  C  C206  1  0.240317  0.993074  0.598773  1
  C  C207  1  0.644398  0.787628  0.578632  1
  C  C208  1  0.414996  0.211023  0.606500  1
  C  C209  1  0.461297  0.429982  0.621495  1
  C  C210  1  0.233305  0.853002  0.649094  1
  C  C211  1  0.636697  0.647875  0.628823  1
  C  C212  1  0.408292  0.071563  0.656886  1
  C  C213  1  0.010322  0.416203  0.626518  1
  C  C214  1  0.781583  0.839811  0.654287  1
  C  C215  1  0.184680  0.634124  0.634131  1
  C  C216  1  0.956994  0.058215  0.661993  1
  C  C217  1  0.002790  0.276911  0.676962  1
  C  C218  1  0.778180  0.695398  0.703776  1
  C  C219  1  0.176883  0.494772  0.685108  1
  C  C220  1  0.954646  0.915245  0.711734  1
  C  C221  1  0.551315  0.263815  0.682437  1
  C  C222  1  0.324943  0.686330  0.709436  1
  C  C223  1  0.722218  0.480297  0.689048  1
  C  C224  1  0.501665  0.904843  0.716886  1
