# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79121512
_cell_length_b   19.42814974
_cell_length_c   47.77600255
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.95349321
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe180 C72'
_cell_volume   4414.49236443
_cell_formula_units_Z   36
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  0.786621  0.195497  0.320580  1
  Fe  Fe2  1  0.454691  0.575935  0.293781  1
  Fe  Fe3  1  0.104225  0.815395  0.347209  1
  Fe  Fe4  1  0.993882  0.308555  0.328268  1
  Fe  Fe5  1  0.683346  0.692182  0.302014  1
  Fe  Fe6  1  0.365111  0.060588  0.275098  1
  Fe  Fe7  1  0.462436  0.184809  0.282065  1
  Fe  Fe8  1  0.084542  0.426270  0.333863  1
  Fe  Fe9  1  0.781563  0.807613  0.308028  1
  Fe  Fe10  1  0.219326  0.117672  0.320332  1
  Fe  Fe11  1  0.902486  0.497476  0.295211  1
  Fe  Fe12  1  0.526793  0.736085  0.346637  1
  Fe  Fe13  1  0.566640  0.388475  0.328998  1
  Fe  Fe14  1  0.270223  0.768999  0.303110  1
  Fe  Fe15  1  0.944362  0.147428  0.276308  1
  Fe  Fe16  1  0.995368  0.267587  0.280565  1
  Fe  Fe17  1  0.590377  0.505470  0.334363  1
  Fe  Fe18  1  0.307495  0.884989  0.306625  1
  Fe  Fe19  1  0.344037  0.217163  0.343633  1
  Fe  Fe20  1  0.037404  0.597221  0.318818  1
  Fe  Fe21  1  0.731435  0.977047  0.291984  1
  Fe  Fe22  1  0.882469  0.380914  0.289640  1
  Fe  Fe23  1  0.506015  0.617673  0.339984  1
  Fe  Fe24  1  0.194968  0.000363  0.315455  1
  Fe  Fe25  1  0.389085  0.457052  0.289392  1
  Fe  Fe26  1  0.007051  0.698688  0.341189  1
  Fe  Fe27  1  0.695131  0.078819  0.315583  1
  Fe  Fe28  1  0.437959  0.287975  0.305228  1
  Fe  Fe29  1  0.123765  0.667129  0.279816  1
  Fe  Fe30  1  0.752760  0.907339  0.331551  1
  Fe  Fe31  1  0.719863  0.054834  0.397726  1
  Fe  Fe32  1  0.405468  0.434623  0.372314  1
  Fe  Fe33  1  0.028764  0.674098  0.423454  1
  Fe  Fe34  1  0.925687  0.168377  0.404936  1
  Fe  Fe35  1  0.619508  0.549710  0.379558  1
  Fe  Fe36  1  0.304481  0.929044  0.352938  1
  Fe  Fe37  1  0.400361  0.046548  0.359103  1
  Fe  Fe38  1  0.016982  0.285393  0.410568  1
  Fe  Fe39  1  0.708738  0.666120  0.384889  1
  Fe  Fe40  1  0.147371  0.976297  0.397568  1
  Fe  Fe41  1  0.833543  0.356025  0.372205  1
  Fe  Fe42  1  0.454965  0.595342  0.423371  1
  Fe  Fe43  1  0.498202  0.247540  0.405166  1
  Fe  Fe44  1  0.193189  0.628112  0.379477  1
  Fe  Fe45  1  0.881860  0.008725  0.353881  1
  Fe  Fe46  1  0.905869  0.125384  0.359079  1
  Fe  Fe47  1  0.521999  0.364699  0.410935  1
  Fe  Fe48  1  0.215408  0.744929  0.385222  1
  Fe  Fe49  1  0.276996  0.076546  0.420466  1
  Fe  Fe50  1  0.968461  0.457075  0.395098  1
  Fe  Fe51  1  0.660977  0.837536  0.369515  1
  Fe  Fe52  1  0.809549  0.238964  0.366652  1
  Fe  Fe53  1  0.431433  0.478238  0.417541  1
  Fe  Fe54  1  0.120667  0.858981  0.392159  1
  Fe  Fe55  1  0.315637  0.317870  0.366976  1
  Fe  Fe56  1  0.938801  0.557255  0.417915  1
  Fe  Fe57  1  0.625683  0.938074  0.392158  1
  Fe  Fe58  1  0.368781  0.146940  0.382116  1
  Fe  Fe59  1  0.057079  0.526940  0.356616  1
  Fe  Fe60  1  0.677186  0.766641  0.407765  1
  Fe  Fe61  1  0.648413  0.913581  0.474490  1
  Fe  Fe62  1  0.336825  0.293778  0.449080  1
  Fe  Fe63  1  0.957087  0.532920  0.500201  1
  Fe  Fe64  1  0.856136  0.027629  0.481580  1
  Fe  Fe65  1  0.547062  0.408297  0.456208  1
  Fe  Fe66  1  0.238004  0.788832  0.430429  1
  Fe  Fe67  1  0.329343  0.905742  0.435937  1
  Fe  Fe68  1  0.948015  0.144498  0.487256  1
  Fe  Fe69  1  0.637777  0.525018  0.461711  1
  Fe  Fe70  1  0.075171  0.834852  0.474407  1
  Fe  Fe71  1  0.764474  0.215084  0.448928  1
  Fe  Fe72  1  0.383687  0.454297  0.500132  1
  Fe  Fe73  1  0.428837  0.106552  0.481826  1
  Fe  Fe74  1  0.120747  0.486912  0.456187  1
  Fe  Fe75  1  0.809721  0.867351  0.430587  1
  Fe  Fe76  1  0.836164  0.984313  0.436015  1
  Fe  Fe77  1  0.453260  0.223564  0.487488  1
  Fe  Fe78  1  0.144278  0.603954  0.461942  1
  Fe  Fe79  1  0.207836  0.935490  0.497225  1
  Fe  Fe80  1  0.897407  0.315915  0.471797  1
  Fe  Fe81  1  0.589536  0.696283  0.446164  1
  Fe  Fe82  1  0.740045  0.098225  0.443358  1
  Fe  Fe83  1  0.359498  0.337345  0.494477  1
  Fe  Fe84  1  0.050944  0.717725  0.468724  1
  Fe  Fe85  1  0.245532  0.177044  0.443520  1
  Fe  Fe86  1  0.866269  0.416133  0.494675  1
  Fe  Fe87  1  0.557031  0.796716  0.468909  1
  Fe  Fe88  1  0.297340  0.005813  0.458892  1
  Fe  Fe89  1  0.985952  0.386052  0.433451  1
  Fe  Fe90  1  0.605956  0.625413  0.484489  1
  Fe  Fe91  1  0.576838  0.772294  0.551203  1
  Fe  Fe92  1  0.267765  0.152962  0.525831  1
  Fe  Fe93  1  0.885898  0.391759  0.576982  1
  Fe  Fe94  1  0.787075  0.886813  0.558331  1
  Fe  Fe95  1  0.475488  0.267009  0.532921  1
  Fe  Fe96  1  0.166814  0.647671  0.507210  1
  Fe  Fe97  1  0.257632  0.764458  0.512736  1
  Fe  Fe98  1  0.878369  0.003547  0.563891  1
  Fe  Fe99  1  0.566870  0.383875  0.538502  1
  Fe  Fe100  1  0.003154  0.693679  0.551224  1
  Fe  Fe101  1  0.695064  0.074039  0.525584  1
  Fe  Fe102  1  0.314180  0.313240  0.576823  1
  Fe  Fe103  1  0.359427  0.965507  0.558483  1
  Fe  Fe104  1  0.048729  0.345739  0.533004  1
  Fe  Fe105  1  0.740214  0.726294  0.507278  1
  Fe  Fe106  1  0.764402  0.843246  0.512933  1
  Fe  Fe107  1  0.383856  0.082366  0.564052  1
  Fe  Fe108  1  0.072958  0.462865  0.538687  1
  Fe  Fe109  1  0.137949  0.794539  0.573960  1
  Fe  Fe110  1  0.826561  0.174778  0.548519  1
  Fe  Fe111  1  0.517945  0.555178  0.522922  1
  Fe  Fe112  1  0.670640  0.957027  0.519923  1
  Fe  Fe113  1  0.287736  0.196278  0.571396  1
  Fe  Fe114  1  0.979622  0.576637  0.545469  1
  Fe  Fe115  1  0.175886  0.036093  0.520155  1
  Fe  Fe116  1  0.794557  0.274849  0.571473  1
  Fe  Fe117  1  0.486124  0.655572  0.545700  1
  Fe  Fe118  1  0.226494  0.864676  0.535613  1
  Fe  Fe119  1  0.916065  0.245100  0.510186  1
  Fe  Fe120  1  0.534365  0.484308  0.561247  1
  Fe  Fe121  1  0.504393  0.630881  0.627852  1
  Fe  Fe122  1  0.198213  0.012213  0.602475  1
  Fe  Fe123  1  0.819416  0.251547  0.654473  1
  Fe  Fe124  1  0.718433  0.745968  0.635096  1
  Fe  Fe125  1  0.404037  0.125757  0.609685  1
  Fe  Fe126  1  0.095136  0.506493  0.583957  1
  Fe  Fe127  1  0.185099  0.623336  0.589495  1
  Fe  Fe128  1  0.808264  0.862721  0.640435  1
  Fe  Fe129  1  0.498216  0.242517  0.615253  1
  Fe  Fe130  1  0.930712  0.552479  0.627933  1
  Fe  Fe131  1  0.625699  0.933050  0.602244  1
  Fe  Fe132  1  0.242038  0.171865  0.653530  1
  Fe  Fe133  1  0.290357  0.824566  0.635206  1
  Fe  Fe134  1  0.976530  0.204294  0.609842  1
  Fe  Fe135  1  0.668935  0.585249  0.584039  1
  Fe  Fe136  1  0.692468  0.702353  0.589869  1
  Fe  Fe137  1  0.314352  0.941627  0.640759  1
  Fe  Fe138  1  0.003233  0.321610  0.615252  1
  Fe  Fe139  1  0.066821  0.653651  0.650794  1
  Fe  Fe140  1  0.755120  0.033651  0.625295  1
  Fe  Fe141  1  0.446714  0.413950  0.599646  1
  Fe  Fe142  1  0.601902  0.815892  0.596475  1
  Fe  Fe143  1  0.218031  0.055207  0.648332  1
  Fe  Fe144  1  0.908494  0.435662  0.622189  1
  Fe  Fe145  1  0.106919  0.895197  0.596843  1
  Fe  Fe146  1  0.723540  0.134043  0.648307  1
  Fe  Fe147  1  0.415163  0.514471  0.622522  1
  Fe  Fe148  1  0.155439  0.723516  0.612312  1
  Fe  Fe149  1  0.846905  0.104045  0.586944  1
  Fe  Fe150  1  0.462923  0.343054  0.637895  1
  Fe  Fe151  1  0.440555  0.488409  0.705397  1
  Fe  Fe152  1  0.130019  0.872035  0.679143  1
  Fe  Fe153  1  0.758790  0.120003  0.732312  1
  Fe  Fe154  1  0.669210  0.604656  0.713629  1
  Fe  Fe155  1  0.337279  0.985093  0.686830  1
  Fe  Fe156  1  0.019676  0.365196  0.660202  1
  Fe  Fe157  1  0.116850  0.481903  0.666222  1
  Fe  Fe158  1  0.734816  0.723539  0.718018  1
  Fe  Fe159  1  0.428770  0.101771  0.691827  1
  Fe  Fe160  1  0.853678  0.411592  0.704301  1
  Fe  Fe161  1  0.557260  0.792116  0.678412  1
  Fe  Fe162  1  0.179539  0.033163  0.731102  1
  Fe  Fe163  1  0.221414  0.683114  0.712200  1
  Fe  Fe164  1  0.904575  0.062919  0.687079  1
  Fe  Fe165  1  0.597108  0.444506  0.660774  1
  Fe  Fe166  1  0.617886  0.562918  0.667426  1
  Fe  Fe167  1  0.241431  0.799677  0.717771  1
  Fe  Fe168  1  0.928930  0.180228  0.691955  1
  Fe  Fe169  1  0.000136  0.513462  0.727595  1
  Fe  Fe170  1  0.685941  0.892616  0.702183  1
  Fe  Fe171  1  0.371140  0.273252  0.675860  1
  Fe  Fe172  1  0.533523  0.675121  0.673048  1
  Fe  Fe173  1  0.128533  0.913004  0.726846  1
  Fe  Fe174  1  0.816407  0.295601  0.700785  1
  Fe  Fe175  1  0.039359  0.754321  0.673548  1
  Fe  Fe176  1  0.661465  0.995782  0.725346  1
  Fe  Fe177  1  0.342338  0.372978  0.699382  1
  Fe  Fe178  1  0.086496  0.583370  0.688593  1
  Fe  Fe179  1  0.779864  0.963428  0.663778  1
  Fe  Fe180  1  0.392466  0.203543  0.715427  1
  C  C181  1  0.539938  0.136420  0.344543  1
  C  C182  1  0.227313  0.515467  0.318888  1
  C  C183  1  0.934257  0.897784  0.294759  1
  C  C184  1  0.618064  0.298127  0.343000  1
  C  C185  1  0.310379  0.678340  0.317460  1
  C  C186  1  -0.000024  0.059025  0.291939  1
  C  C187  1  0.162420  0.207245  0.305807  1
  C  C188  1  0.841495  0.588128  0.282240  1
  C  C189  1  0.479067  0.826293  0.332205  1
  C  C190  1  0.243722  0.368977  0.305138  1
  C  C191  1  0.945868  0.750680  0.279397  1
  C  C192  1  0.559953  0.988507  0.329956  1
  C  C193  1  0.470834  0.995473  0.421370  1
  C  C194  1  0.157188  0.375185  0.395988  1
  C  C195  1  0.850766  0.755818  0.370339  1
  C  C196  1  0.549973  0.157714  0.419724  1
  C  C197  1  0.242328  0.538058  0.393964  1
  C  C198  1  0.932395  0.919006  0.368617  1
  C  C199  1  0.095123  0.065898  0.382800  1
  C  C200  1  0.782480  0.446115  0.357864  1
  C  C201  1  0.405137  0.685306  0.408829  1
  C  C202  1  0.174694  0.227976  0.381394  1
  C  C203  1  0.868491  0.608869  0.355848  1
  C  C204  1  0.486490  0.848219  0.406748  1
  C  C205  1  0.399535  0.854069  0.498087  1
  C  C206  1  0.088079  0.234332  0.472708  1
  C  C207  1  0.779547  0.614592  0.447020  1
  C  C208  1  0.480489  0.016720  0.496388  1
  C  C209  1  0.170636  0.397035  0.470819  1
  C  C210  1  0.861961  0.777549  0.445142  1
  C  C211  1  0.024337  0.924643  0.459746  1
  C  C212  1  0.712834  0.304917  0.434366  1
  C  C213  1  0.333329  0.544185  0.485543  1
  C  C214  1  0.105360  0.087188  0.458037  1
  C  C215  1  0.795862  0.467727  0.432576  1
  C  C216  1  0.415878  0.707092  0.483596  1
  C  C217  1  0.328039  0.712864  0.574835  1
  C  C218  1  0.018541  0.093403  0.549374  1
  C  C219  1  0.708022  0.473498  0.523815  1
  C  C220  1  0.411067  0.875674  0.573044  1
  C  C221  1  0.099564  0.255948  0.547665  1
  C  C222  1  0.790572  0.636406  0.521868  1
  C  C223  1  0.953265  0.783556  0.536592  1
  C  C224  1  0.643412  0.163871  0.511023  1
  C  C225  1  0.261937  0.403041  0.562268  1
  C  C226  1  0.035822  0.946258  0.534703  1
  C  C227  1  0.724366  0.326521  0.509324  1
  C  C228  1  0.344356  0.565999  0.560391  1
  C  C229  1  0.255410  0.571722  0.651562  1
  C  C230  1  0.949206  0.952615  0.626017  1
  C  C231  1  0.637410  0.332372  0.600662  1
  C  C232  1  0.341421  0.734476  0.649547  1
  C  C233  1  0.028777  0.114693  0.624610  1
  C  C234  1  0.718764  0.495285  0.598582  1
  C  C235  1  0.881573  0.642533  0.613447  1
  C  C236  1  0.573928  0.022877  0.587686  1
  C  C237  1  0.191510  0.261584  0.638794  1
  C  C238  1  0.966712  0.805406  0.611423  1
  C  C239  1  0.653066  0.185117  0.586041  1
  C  C240  1  0.273133  0.424773  0.637071  1
  C  C241  1  0.178033  0.429911  0.728014  1
  C  C242  1  0.880179  0.811614  0.702273  1
  C  C243  1  0.563953  0.192084  0.677455  1
  C  C244  1  0.282406  0.592463  0.725171  1
  C  C245  1  0.961481  0.973346  0.701603  1
  C  C246  1  0.644834  0.354298  0.675205  1
  C  C247  1  0.813522  0.502251  0.689951  1
  C  C248  1  0.505836  0.882464  0.664411  1
  C  C249  1  0.123926  0.121565  0.715472  1
  C  C250  1  0.896588  0.665124  0.688523  1
  C  C251  1  0.583964  0.044171  0.662867  1
  C  C252  1  0.189644  0.282807  0.712652  1
