# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.06881642
_cell_length_b   7.77286596
_cell_length_c   46.75568248
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.16915136
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe180 C72'
_cell_volume   4750.75986857
_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  0.343121  0.673099  0.350035  1
  Fe  Fe2  1  0.665512  0.955592  0.302459  1
  Fe  Fe3  1  0.002633  0.814954  0.327077  1
  Fe  Fe4  1  0.117309  0.479663  0.318754  1
  Fe  Fe5  1  0.451664  0.340062  0.343459  1
  Fe  Fe6  1  0.779594  0.612647  0.294786  1
  Fe  Fe7  1  0.186166  0.144484  0.309273  1
  Fe  Fe8  1  0.526764  0.010814  0.334963  1
  Fe  Fe9  1  0.863305  0.872638  0.358178  1
  Fe  Fe10  1  0.117492  0.973947  0.340946  1
  Fe  Fe11  1  0.448045  0.239734  0.293336  1
  Fe  Fe12  1  0.781283  0.110493  0.317447  1
  Fe  Fe13  1  0.333860  0.184171  0.328625  1
  Fe  Fe14  1  0.671853  0.045743  0.352873  1
  Fe  Fe15  1  0.990000  0.325226  0.305250  1
  Fe  Fe16  1  0.380364  0.867772  0.318843  1
  Fe  Fe17  1  0.721213  0.727098  0.342893  1
  Fe  Fe18  1  0.049026  0.974843  0.292661  1
  Fe  Fe19  1  0.213258  0.683298  0.316579  1
  Fe  Fe20  1  0.550065  0.546314  0.340883  1
  Fe  Fe21  1  0.876220  0.823057  0.292680  1
  Fe  Fe22  1  0.070813  0.291849  0.351345  1
  Fe  Fe23  1  0.383535  0.579711  0.300401  1
  Fe  Fe24  1  0.729040  0.430749  0.325830  1
  Fe  Fe25  1  0.259217  0.402947  0.287664  1
  Fe  Fe26  1  0.590516  0.286321  0.311994  1
  Fe  Fe27  1  0.929059  0.147138  0.335907  1
  Fe  Fe28  1  0.241381  0.468178  0.353311  1
  Fe  Fe29  1  0.567256  0.738526  0.305557  1
  Fe  Fe30  1  0.903145  0.608448  0.330563  1
  Fe  Fe31  1  0.355857  0.262411  0.422105  1
  Fe  Fe32  1  0.680260  0.537679  0.374150  1
  Fe  Fe33  1  0.017051  0.400702  0.398559  1
  Fe  Fe34  1  0.129954  0.063458  0.390511  1
  Fe  Fe35  1  0.467852  0.925682  0.414401  1
  Fe  Fe36  1  0.790378  0.202315  0.367073  1
  Fe  Fe37  1  0.202433  0.733658  0.381964  1
  Fe  Fe38  1  0.541350  0.595969  0.405658  1
  Fe  Fe39  1  0.879247  0.457478  0.429505  1
  Fe  Fe40  1  0.136389  0.556732  0.412236  1
  Fe  Fe41  1  0.459432  0.833652  0.364994  1
  Fe  Fe42  1  0.797400  0.695856  0.388595  1
  Fe  Fe43  1  0.348945  0.769753  0.400366  1
  Fe  Fe44  1  0.687633  0.630873  0.424277  1
  Fe  Fe45  1  0.010990  0.906914  0.376735  1
  Fe  Fe46  1  0.399312  0.448171  0.390345  1
  Fe  Fe47  1  0.737991  0.309348  0.413974  1
  Fe  Fe48  1  0.061175  0.583891  0.365901  1
  Fe  Fe49  1  0.228307  0.270237  0.387522  1
  Fe  Fe50  1  0.567126  0.132363  0.411731  1
  Fe  Fe51  1  0.889866  0.409408  0.364581  1
  Fe  Fe52  1  0.086066  0.878203  0.422727  1
  Fe  Fe53  1  0.408989  0.154839  0.374808  1
  Fe  Fe54  1  0.747777  0.016370  0.398978  1
  Fe  Fe55  1  0.267465  0.006391  0.359680  1
  Fe  Fe56  1  0.606086  0.868304  0.383387  1
  Fe  Fe57  1  0.944816  0.730206  0.407178  1
  Fe  Fe58  1  0.256996  0.055477  0.424903  1
  Fe  Fe59  1  0.579836  0.332733  0.377578  1
  Fe  Fe60  1  0.917977  0.194307  0.401299  1
  Fe  Fe61  1  0.371047  0.847377  0.493445  1
  Fe  Fe62  1  0.694022  0.124225  0.445981  1
  Fe  Fe63  1  0.032495  0.985676  0.469775  1
  Fe  Fe64  1  0.145310  0.648757  0.461843  1
  Fe  Fe65  1  0.483519  0.510420  0.485585  1
  Fe  Fe66  1  0.806523  0.787037  0.438103  1
  Fe  Fe67  1  0.217908  0.318970  0.453090  1
  Fe  Fe68  1  0.556220  0.180607  0.476916  1
  Fe  Fe69  1  0.894504  0.042488  0.500682  1
  Fe  Fe70  1  0.151365  0.142241  0.483526  1
  Fe  Fe71  1  0.474766  0.418598  0.436131  1
  Fe  Fe72  1  0.813049  0.280379  0.459872  1
  Fe  Fe73  1  0.364745  0.354116  0.471773  1
  Fe  Fe74  1  0.703156  0.215900  0.495521  1
  Fe  Fe75  1  0.026323  0.492215  0.448054  1
  Fe  Fe76  1  0.414660  0.033089  0.461472  1
  Fe  Fe77  1  0.753186  0.894651  0.485218  1
  Fe  Fe78  1  0.076143  0.171627  0.437593  1
  Fe  Fe79  1  0.244030  0.855477  0.459119  1
  Fe  Fe80  1  0.582482  0.717219  0.482905  1
  Fe  Fe81  1  0.905687  0.993679  0.435408  1
  Fe  Fe82  1  0.101542  0.463088  0.493978  1
  Fe  Fe83  1  0.424430  0.739974  0.446328  1
  Fe  Fe84  1  0.763033  0.601607  0.470173  1
  Fe  Fe85  1  0.283100  0.592078  0.430838  1
  Fe  Fe86  1  0.621592  0.454118  0.454682  1
  Fe  Fe87  1  0.959940  0.315684  0.478448  1
  Fe  Fe88  1  0.272143  0.640698  0.496186  1
  Fe  Fe89  1  0.595223  0.917575  0.448718  1
  Fe  Fe90  1  0.933723  0.779138  0.472479  1
  Fe  Fe91  1  0.386572  0.432564  0.564764  1
  Fe  Fe92  1  0.709577  0.709181  0.517282  1
  Fe  Fe93  1  0.047786  0.570843  0.541024  1
  Fe  Fe94  1  0.160601  0.233925  0.533092  1
  Fe  Fe95  1  0.499074  0.095375  0.556886  1
  Fe  Fe96  1  0.822049  0.372224  0.509423  1
  Fe  Fe97  1  0.233156  0.903916  0.524419  1
  Fe  Fe98  1  0.571504  0.765482  0.548185  1
  Fe  Fe99  1  0.909996  0.627522  0.572029  1
  Fe  Fe100  1  0.166773  0.727385  0.554813  1
  Fe  Fe101  1  0.489940  0.003700  0.507346  1
  Fe  Fe102  1  0.828351  0.865485  0.531094  1
  Fe  Fe103  1  0.380047  0.939221  0.542995  1
  Fe  Fe104  1  0.718330  0.801002  0.566736  1
  Fe  Fe105  1  0.041730  0.077360  0.519341  1
  Fe  Fe106  1  0.430063  0.617994  0.532694  1
  Fe  Fe107  1  0.768665  0.479626  0.556539  1
  Fe  Fe108  1  0.091554  0.756512  0.508889  1
  Fe  Fe109  1  0.259372  0.440463  0.530388  1
  Fe  Fe110  1  0.597873  0.302025  0.554149  1
  Fe  Fe111  1  0.920953  0.578903  0.506681  1
  Fe  Fe112  1  0.116952  0.047973  0.565274  1
  Fe  Fe113  1  0.439909  0.324949  0.517649  1
  Fe  Fe114  1  0.778436  0.186511  0.541395  1
  Fe  Fe115  1  0.298592  0.177112  0.502185  1
  Fe  Fe116  1  0.636876  0.038993  0.525951  1
  Fe  Fe117  1  0.975187  0.900631  0.549777  1
  Fe  Fe118  1  0.287409  0.225922  0.567459  1
  Fe  Fe119  1  0.610614  0.502381  0.519962  1
  Fe  Fe120  1  0.949066  0.364123  0.543748  1
  Fe  Fe121  1  0.402718  0.017285  0.635794  1
  Fe  Fe122  1  0.725243  0.293919  0.588466  1
  Fe  Fe123  1  0.063141  0.156142  0.612356  1
  Fe  Fe124  1  0.176045  0.818899  0.604308  1
  Fe  Fe125  1  0.512836  0.681921  0.628717  1
  Fe  Fe126  1  0.837238  0.957190  0.580762  1
  Fe  Fe127  1  0.248280  0.489394  0.595689  1
  Fe  Fe128  1  0.587010  0.351297  0.619480  1
  Fe  Fe129  1  0.925631  0.213209  0.643187  1
  Fe  Fe130  1  0.182105  0.312686  0.626132  1
  Fe  Fe131  1  0.505463  0.588727  0.578590  1
  Fe  Fe132  1  0.844151  0.449847  0.602501  1
  Fe  Fe133  1  0.395696  0.523745  0.614272  1
  Fe  Fe134  1  0.733664  0.385948  0.637873  1
  Fe  Fe135  1  0.056706  0.662869  0.590631  1
  Fe  Fe136  1  0.445318  0.203230  0.603889  1
  Fe  Fe137  1  0.784107  0.064761  0.628060  1
  Fe  Fe138  1  0.107030  0.341398  0.580140  1
  Fe  Fe139  1  0.275119  0.025294  0.601568  1
  Fe  Fe140  1  0.613260  0.886868  0.625289  1
  Fe  Fe141  1  0.936099  0.164123  0.577964  1
  Fe  Fe142  1  0.131920  0.635709  0.636966  1
  Fe  Fe143  1  0.455105  0.910253  0.588893  1
  Fe  Fe144  1  0.793784  0.771430  0.612522  1
  Fe  Fe145  1  0.313849  0.762122  0.573362  1
  Fe  Fe146  1  0.651746  0.623632  0.597209  1
  Fe  Fe147  1  0.990662  0.485942  0.620903  1
  Fe  Fe148  1  0.303230  0.810192  0.638286  1
  Fe  Fe149  1  0.625970  0.087238  0.591136  1
  Fe  Fe150  1  0.964789  0.949364  0.615345  1
  Fe  Fe151  1  0.413502  0.606953  0.708082  1
  Fe  Fe152  1  0.741432  0.879538  0.659408  1
  Fe  Fe153  1  0.075787  0.739938  0.684113  1
  Fe  Fe154  1  0.190463  0.404647  0.675790  1
  Fe  Fe155  1  0.527584  0.264009  0.700408  1
  Fe  Fe156  1  0.849975  0.546501  0.652832  1
  Fe  Fe157  1  0.264037  0.072462  0.666960  1
  Fe  Fe158  1  0.602580  0.933280  0.690873  1
  Fe  Fe159  1  0.933879  0.816653  0.715203  1
  Fe  Fe160  1  0.203096  0.894375  0.697617  1
  Fe  Fe161  1  0.521243  0.173858  0.649994  1
  Fe  Fe162  1  0.859236  0.035429  0.674242  1
  Fe  Fe163  1  0.411813  0.109107  0.685420  1
  Fe  Fe164  1  0.745051  0.979867  0.709531  1
  Fe  Fe165  1  0.075604  0.245653  0.661921  1
  Fe  Fe166  1  0.464055  0.788852  0.677037  1
  Fe  Fe167  1  0.809560  0.639889  0.702466  1
  Fe  Fe168  1  0.122283  0.927751  0.651522  1
  Fe  Fe169  1  0.289951  0.611153  0.672304  1
  Fe  Fe170  1  0.625839  0.481075  0.697310  1
  Fe  Fe171  1  0.951715  0.751422  0.649556  1
  Fe  Fe172  1  0.144069  0.244757  0.710206  1
  Fe  Fe173  1  0.471883  0.492502  0.659974  1
  Fe  Fe174  1  0.812732  0.351828  0.684024  1
  Fe  Fe175  1  0.329790  0.346962  0.644689  1
  Fe  Fe176  1  0.666332  0.208787  0.667904  1
  Fe  Fe177  1  0.006929  0.075117  0.693594  1
  Fe  Fe178  1  0.316876  0.396544  0.710187  1
  Fe  Fe179  1  0.643031  0.673287  0.661984  1
  Fe  Fe180  1  0.979837  0.536302  0.686288  1
  C  C181  1  0.251013  0.880747  0.324803  1
  C  C182  1  0.591402  0.740226  0.347769  1
  C  C183  1  0.914114  0.020213  0.300995  1
  C  C184  1  0.333478  0.425738  0.319487  1
  C  C185  1  0.670170  0.288728  0.343932  1
  C  C186  1  0.993941  0.563879  0.297198  1
  C  C187  1  0.122895  0.728040  0.350221  1
  C  C188  1  0.448981  -0.001045  0.303229  1
  C  C189  1  0.784156  0.866447  0.326362  1
  C  C190  1  0.201417  0.273434  0.345300  1
  C  C191  1  0.516159  0.558437  0.299807  1
  C  C192  1  0.859329  0.418594  0.323317  1
  C  C193  1  0.268842  0.464264  0.395374  1
  C  C194  1  0.607248  0.327250  0.419363  1
  C  C195  1  0.930194  0.604201  0.372022  1
  C  C196  1  0.347659  0.012145  0.391242  1
  C  C197  1  0.686051  0.873392  0.415069  1
  C  C198  1  0.008795  0.150362  0.367771  1
  C  C199  1  0.137956  0.314153  0.421393  1
  C  C200  1  0.460700  0.591367  0.374136  1
  C  C201  1  0.799087  0.453255  0.397825  1
  C  C202  1  0.216601  0.861045  0.417220  1
  C  C203  1  0.539796  0.137735  0.369965  1
  C  C204  1  0.878388  -0.001093  0.393463  1
  C  C205  1  0.284040  0.050395  0.466859  1
  C  C206  1  0.622586  0.911972  0.490666  1
  C  C207  1  0.945658  0.188638  0.443167  1
  C  C208  1  0.363066  0.596712  0.462548  1
  C  C209  1  0.701559  0.458567  0.486401  1
  C  C210  1  0.024669  0.734889  0.438905  1
  C  C211  1  0.153147  0.899488  0.492711  1
  C  C212  1  0.476091  0.176175  0.445239  1
  C  C213  1  0.814604  0.037719  0.468966  1
  C  C214  1  0.232111  0.445796  0.488456  1
  C  C215  1  0.555019  0.722919  0.440996  1
  C  C216  1  0.893616  0.584384  0.464724  1
  C  C217  1  0.299479  0.635217  0.538143  1
  C  C218  1  0.638077  0.496681  0.561871  1
  C  C219  1  0.960984  0.773805  0.514411  1
  C  C220  1  0.378492  0.181881  0.533901  1
  C  C221  1  0.717005  0.043425  0.557628  1
  C  C222  1  0.039948  0.320112  0.510156  1
  C  C223  1  0.168427  0.484712  0.563962  1
  C  C224  1  0.491536  0.761033  0.516466  1
  C  C225  1  0.830029  0.622889  0.540320  1
  C  C226  1  0.247438  0.030963  0.559700  1
  C  C227  1  0.570510  0.307628  0.512201  1
  C  C228  1  0.909056  0.169205  0.536008  1
  C  C229  1  0.314707  0.220694  0.609404  1
  C  C230  1  0.653299  0.081866  0.632902  1
  C  C231  1  0.976494  0.358555  0.585647  1
  C  C232  1  0.394009  0.766345  0.605042  1
  C  C233  1  0.732396  0.628234  0.628731  1
  C  C234  1  0.055140  0.905447  0.581474  1
  C  C235  1  0.184301  0.069238  0.635096  1
  C  C236  1  0.507044  0.346208  0.587798  1
  C  C237  1  0.845436  0.207455  0.611625  1
  C  C238  1  0.262902  0.615399  0.630845  1
  C  C239  1  0.585848  0.892350  0.583504  1
  C  C240  1  0.924254  0.755336  0.607493  1
  C  C241  1  0.333767  0.801007  0.679550  1
  C  C242  1  0.676937  0.661164  0.703060  1
  C  C243  1  0.991679  0.946166  0.657567  1
  C  C244  1  0.408939  0.353153  0.676505  1
  C  C245  1  0.744115  0.220646  0.699638  1
  C  C246  1  0.070200  0.491561  0.652646  1
  C  C247  1  0.199155  0.655721  0.705669  1
  C  C248  1  0.522925  0.930872  0.658935  1
  C  C249  1  0.859618  0.793863  0.683380  1
  C  C250  1  0.278982  0.199387  0.701872  1
  C  C251  1  0.601693  0.479374  0.655098  1
  C  C252  1  0.942083  0.338853  0.678064  1
