# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74155717
_cell_length_b   15.69396270
_cell_length_c   48.95131887
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.54057082
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe180 C72'
_cell_volume   4410.75306853
_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  0.786024  0.629977  0.328242  1
  Fe  Fe2  1  0.651269  0.862877  0.275256  1
  Fe  Fe3  1  0.231060  0.249299  0.301977  1
  Fe  Fe4  1  0.954747  0.880541  0.311763  1
  Fe  Fe5  1  0.510960  0.261847  0.337211  1
  Fe  Fe6  1  0.405694  0.502252  0.284861  1
  Fe  Fe7  1  0.283839  0.867405  0.337759  1
  Fe  Fe8  1  0.163564  0.102744  0.286676  1
  Fe  Fe9  1  0.731846  0.488074  0.312357  1
  Fe  Fe10  1  0.753465  0.578823  0.269575  1
  Fe  Fe11  1  0.302336  0.956558  0.295089  1
  Fe  Fe12  1  0.859802  0.336958  0.320789  1
  Fe  Fe13  1  0.321466  0.796577  0.293793  1
  Fe  Fe14  1  0.885512  0.173034  0.319017  1
  Fe  Fe15  1  0.439684  0.552264  0.343421  1
  Fe  Fe16  1  0.683683  0.772515  0.314155  1
  Fe  Fe17  1  0.237178  0.151304  0.339478  1
  Fe  Fe18  1  0.123579  0.392105  0.288009  1
  Fe  Fe19  1  0.085392  0.621764  0.291747  1
  Fe  Fe20  1  0.633598  0.999905  0.317436  1
  Fe  Fe21  1  0.187279  0.380643  0.342695  1
  Fe  Fe22  1  0.061939  0.739019  0.325655  1
  Fe  Fe23  1  0.915722  0.973769  0.274925  1
  Fe  Fe24  1  0.525678  0.360218  0.298875  1
  Fe  Fe25  1  0.463605  0.644411  0.301580  1
  Fe  Fe26  1  0.013432  0.022501  0.327311  1
  Fe  Fe27  1  0.899148  0.258597  0.275084  1
  Fe  Fe28  1  0.002277  0.749227  0.270301  1
  Fe  Fe29  1  0.559136  0.133339  0.296408  1
  Fe  Fe30  1  0.111434  0.509834  0.321817  1
  Fe  Fe31  1  0.438820  0.770038  0.404942  1
  Fe  Fe32  1  0.334111  0.010424  0.353378  1
  Fe  Fe33  1  0.886544  0.389477  0.379203  1
  Fe  Fe34  1  0.616092  0.020703  0.388314  1
  Fe  Fe35  1  0.167783  0.400210  0.413676  1
  Fe  Fe36  1  0.064589  0.640279  0.362541  1
  Fe  Fe37  1  0.939812  0.007102  0.414662  1
  Fe  Fe38  1  0.836671  0.247083  0.363333  1
  Fe  Fe39  1  0.386117  0.627222  0.389200  1
  Fe  Fe40  1  0.411889  0.717221  0.346515  1
  Fe  Fe41  1  0.962232  0.096942  0.372128  1
  Fe  Fe42  1  0.513186  0.476848  0.397836  1
  Fe  Fe43  1  0.989271  0.933727  0.369942  1
  Fe  Fe44  1  0.540703  0.313976  0.395313  1
  Fe  Fe45  1  0.092783  0.693091  0.420858  1
  Fe  Fe46  1  0.338121  0.911519  0.391075  1
  Fe  Fe47  1  0.888397  0.291002  0.416657  1
  Fe  Fe48  1  0.785906  0.530982  0.365354  1
  Fe  Fe49  1  0.736997  0.760482  0.368709  1
  Fe  Fe50  1  0.289948  0.140775  0.394216  1
  Fe  Fe51  1  0.840914  0.520350  0.419853  1
  Fe  Fe52  1  0.716706  0.878973  0.402234  1
  Fe  Fe53  1  0.610326  0.118275  0.351203  1
  Fe  Fe54  1  0.166951  0.499541  0.376161  1
  Fe  Fe55  1  0.118077  0.782491  0.378600  1
  Fe  Fe56  1  0.668760  0.163081  0.404092  1
  Fe  Fe57  1  0.561848  0.404380  0.352227  1
  Fe  Fe58  1  0.661537  0.889387  0.347322  1
  Fe  Fe59  1  0.213738  0.269669  0.373001  1
  Fe  Fe60  1  0.765326  0.649604  0.398904  1
  Fe  Fe61  1  0.093061  0.909799  0.481896  1
  Fe  Fe62  1  0.990193  0.149952  0.430581  1
  Fe  Fe63  1  0.541457  0.529763  0.456256  1
  Fe  Fe64  1  0.270498  0.160627  0.465092  1
  Fe  Fe65  1  0.822022  0.540355  0.490740  1
  Fe  Fe66  1  0.719019  0.780515  0.439503  1
  Fe  Fe67  1  0.592595  0.147257  0.491642  1
  Fe  Fe68  1  0.489808  0.386998  0.440329  1
  Fe  Fe69  1  0.041316  0.767073  0.466026  1
  Fe  Fe70  1  0.065814  0.856982  0.423477  1
  Fe  Fe71  1  0.616570  0.236898  0.449150  1
  Fe  Fe72  1  0.167826  0.616787  0.474784  1
  Fe  Fe73  1  0.644210  0.073645  0.446608  1
  Fe  Fe74  1  0.195584  0.453384  0.472167  1
  Fe  Fe75  1  0.746735  0.833389  0.497830  1
  Fe  Fe76  1  0.991657  0.051117  0.467998  1
  Fe  Fe77  1  0.542986  0.431039  0.493670  1
  Fe  Fe78  1  0.440386  0.671020  0.442344  1
  Fe  Fe79  1  0.392570  0.900554  0.445507  1
  Fe  Fe80  1  0.943787  0.280670  0.471136  1
  Fe  Fe81  1  0.495073  0.660451  0.496785  1
  Fe  Fe82  1  0.371876  0.019306  0.479000  1
  Fe  Fe83  1  0.268795  0.259277  0.427633  1
  Fe  Fe84  1  0.820348  0.639153  0.453356  1
  Fe  Fe85  1  0.771483  0.922997  0.455382  1
  Fe  Fe86  1  0.321918  0.303366  0.480909  1
  Fe  Fe87  1  0.219513  0.543094  0.429673  1
  Fe  Fe88  1  0.317332  0.029789  0.424487  1
  Fe  Fe89  1  0.867954  0.409715  0.450102  1
  Fe  Fe90  1  0.419645  0.789711  0.475842  1
  Fe  Fe91  1  0.747084  0.049790  0.558766  1
  Fe  Fe92  1  0.644081  0.289949  0.507529  1
  Fe  Fe93  1  0.195605  0.669677  0.533177  1
  Fe  Fe94  1  0.924647  0.300541  0.542013  1
  Fe  Fe95  1  0.475911  0.680352  0.567688  1
  Fe  Fe96  1  0.373042  0.920505  0.516373  1
  Fe  Fe97  1  0.246591  0.287210  0.568596  1
  Fe  Fe98  1  0.144185  0.526938  0.517360  1
  Fe  Fe99  1  0.694621  0.907307  0.542887  1
  Fe  Fe100  1  0.719369  0.996915  0.500439  1
  Fe  Fe101  1  0.270519  0.376920  0.526103  1
  Fe  Fe102  1  0.821894  0.756659  0.551661  1
  Fe  Fe103  1  0.298278  0.213517  0.523485  1
  Fe  Fe104  1  0.849533  0.593406  0.549119  1
  Fe  Fe105  1  0.400289  0.973322  0.574792  1
  Fe  Fe106  1  0.645755  0.191151  0.544913  1
  Fe  Fe107  1  0.197308  0.571027  0.570636  1
  Fe  Fe108  1  0.094228  0.810999  0.519269  1
  Fe  Fe109  1  0.046458  0.040593  0.522427  1
  Fe  Fe110  1  0.598149  0.420589  0.548167  1
  Fe  Fe111  1  0.148771  0.800515  0.573782  1
  Fe  Fe112  1  0.025718  0.159284  0.555925  1
  Fe  Fe113  1  0.923117  0.399265  0.504599  1
  Fe  Fe114  1  0.474447  0.779187  0.530271  1
  Fe  Fe115  1  0.424787  0.063231  0.532243  1
  Fe  Fe116  1  0.976295  0.443306  0.557940  1
  Fe  Fe117  1  0.873508  0.683047  0.506627  1
  Fe  Fe118  1  0.971030  0.169853  0.501484  1
  Fe  Fe119  1  0.522316  0.549634  0.527133  1
  Fe  Fe120  1  0.073533  0.929750  0.552762  1
  Fe  Fe121  1  0.401515  0.190025  0.635728  1
  Fe  Fe122  1  0.298320  0.430094  0.584593  1
  Fe  Fe123  1  0.850011  0.809601  0.609955  1
  Fe  Fe124  1  0.579559  0.440827  0.619066  1
  Fe  Fe125  1  0.131992  0.819880  0.644891  1
  Fe  Fe126  1  0.027283  0.060266  0.593327  1
  Fe  Fe127  1  0.904255  0.425925  0.646042  1
  Fe  Fe128  1  0.797343  0.667223  0.594177  1
  Fe  Fe129  1  0.348026  0.047813  0.619669  1
  Fe  Fe130  1  0.373320  0.137213  0.577411  1
  Fe  Fe131  1  0.925401  0.516328  0.602956  1
  Fe  Fe132  1  0.476833  0.896577  0.628327  1
  Fe  Fe133  1  0.952917  0.353456  0.600433  1
  Fe  Fe134  1  0.503872  0.733362  0.626141  1
  Fe  Fe135  1  0.054214  0.113083  0.651754  1
  Fe  Fe136  1  0.299152  0.330763  0.622108  1
  Fe  Fe137  1  0.855777  0.712029  0.647066  1
  Fe  Fe138  1  0.749397  0.951331  0.596035  1
  Fe  Fe139  1  0.700777  0.180700  0.599365  1
  Fe  Fe140  1  0.252365  0.560635  0.625268  1
  Fe  Fe141  1  0.804566  0.940917  0.650947  1
  Fe  Fe142  1  0.680197  0.299322  0.632915  1
  Fe  Fe143  1  0.577707  0.539302  0.581612  1
  Fe  Fe144  1  0.127982  0.918785  0.607194  1
  Fe  Fe145  1  0.079986  0.203082  0.609069  1
  Fe  Fe146  1  0.629432  0.583222  0.634936  1
  Fe  Fe147  1  0.526291  0.823202  0.583607  1
  Fe  Fe148  1  0.625189  0.309954  0.578416  1
  Fe  Fe149  1  0.176156  0.689530  0.604053  1
  Fe  Fe150  1  0.729106  0.069822  0.629560  1
  Fe  Fe151  1  0.060410  0.328052  0.713408  1
  Fe  Fe152  1  0.955143  0.568457  0.661058  1
  Fe  Fe153  1  0.511356  0.949763  0.686506  1
  Fe  Fe154  1  0.235043  0.581005  0.696292  1
  Fe  Fe155  1  0.814835  0.967427  0.723013  1
  Fe  Fe156  1  0.680079  0.200327  0.670027  1
  Fe  Fe157  1  0.566955  0.571707  0.723185  1
  Fe  Fe158  1  0.452672  0.807803  0.670958  1
  Fe  Fe159  1  0.002498  0.185893  0.696689  1
  Fe  Fe160  1  0.026419  0.278040  0.654848  1
  Fe  Fe161  1  0.580591  0.657270  0.679252  1
  Fe  Fe162  1  0.144638  0.033727  0.704476  1
  Fe  Fe163  1  0.606301  0.493346  0.677480  1
  Fe  Fe164  1  0.163767  0.873746  0.703180  1
  Fe  Fe165  1  0.712638  0.251481  0.728694  1
  Fe  Fe166  1  0.940425  0.470086  0.699394  1
  Fe  Fe167  1  0.550381  0.856535  0.723344  1
  Fe  Fe168  1  0.404164  0.091285  0.672614  1
  Fe  Fe169  1  0.354669  0.320470  0.676452  1
  Fe  Fe170  1  0.906968  0.696965  0.701861  1
  Fe  Fe171  1  0.463826  0.081077  0.727968  1
  Fe  Fe172  1  0.342525  0.438199  0.710260  1
  Fe  Fe173  1  0.228925  0.679000  0.658791  1
  Fe  Fe174  1  0.782421  0.057790  0.684114  1
  Fe  Fe175  1  0.734258  0.342230  0.685912  1
  Fe  Fe176  1  0.302539  0.727560  0.711593  1
  Fe  Fe177  1  0.182264  0.962899  0.660510  1
  Fe  Fe178  1  0.278824  0.449661  0.655574  1
  Fe  Fe179  1  0.832506  0.830399  0.680833  1
  Fe  Fe180  1  0.380711  0.208540  0.706522  1
  C  C181  1  0.786898  0.678148  0.292149  1
  C  C182  1  0.336479  0.057247  0.317068  1
  C  C183  1  0.888922  0.437217  0.343045  1
  C  C184  1  0.217288  0.630280  0.327741  1
  C  C185  1  0.095080  0.869876  0.276579  1
  C  C186  1  0.660875  0.248270  0.302401  1
  C  C187  1  0.528536  0.881134  0.311348  1
  C  C188  1  0.082245  0.260053  0.336995  1
  C  C189  1  0.976161  0.502291  0.285956  1
  C  C190  1  0.306102  0.696727  0.271172  1
  C  C191  1  0.851581  0.072755  0.296867  1
  C  C192  1  0.409034  0.452787  0.320812  1
  C  C193  1  0.439373  0.817592  0.368743  1
  C  C194  1  0.991487  0.197260  0.394352  1
  C  C195  1  0.542917  0.577178  0.420046  1
  C  C196  1  0.870112  0.769920  0.404628  1
  C  C197  1  0.765924  0.009599  0.353388  1
  C  C198  1  0.318196  0.390143  0.378736  1
  C  C199  1  0.186075  0.020767  0.388456  1
  C  C200  1  0.736117  0.400231  0.414115  1
  C  C201  1  0.632448  0.640044  0.362974  1
  C  C202  1  0.960142  0.832987  0.347925  1
  C  C203  1  0.512408  0.213310  0.373250  1
  C  C204  1  0.063097  0.592610  0.398714  1
  C  C205  1  0.094489  0.957324  0.445700  1
  C  C206  1  0.645569  0.337344  0.471315  1
  C  C207  1  0.196921  0.717169  0.496979  1
  C  C208  1  0.524280  0.910090  0.481497  1
  C  C209  1  0.421610  0.150160  0.430212  1
  C  C210  1  0.972772  0.529939  0.455834  1
  C  C211  1  0.839425  0.160361  0.465488  1
  C  C212  1  0.390469  0.540222  0.491145  1
  C  C213  1  0.287947  0.780230  0.439849  1
  C  C214  1  0.615531  0.973090  0.424490  1
  C  C215  1  0.166252  0.353102  0.449930  1
  C  C216  1  0.717681  0.732903  0.475683  1
  C  C217  1  0.748422  0.097401  0.522586  1
  C  C218  1  0.299852  0.477202  0.548339  1
  C  C219  1  0.850572  0.857214  0.573779  1
  C  C220  1  0.178157  0.050074  0.558420  1
  C  C221  1  0.075634  0.290082  0.507124  1
  C  C222  1  0.626679  0.669943  0.532781  1
  C  C223  1  0.493332  0.300365  0.542435  1
  C  C224  1  0.044493  0.680144  0.568057  1
  C  C225  1  0.941823  0.920214  0.516772  1
  C  C226  1  0.269182  0.113135  0.501290  1
  C  C227  1  0.820534  0.492961  0.526954  1
  C  C228  1  0.371614  0.872980  0.552569  1
  C  C229  1  0.403007  0.237694  0.599555  1
  C  C230  1  0.953695  0.616994  0.625019  1
  C  C231  1  0.505961  0.997317  0.650344  1
  C  C232  1  0.833656  0.190260  0.635295  1
  C  C233  1  0.729987  0.430073  0.584154  1
  C  C234  1  0.280028  0.809537  0.609813  1
  C  C235  1  0.147907  0.440161  0.619533  1
  C  C236  1  0.700179  0.820705  0.644881  1
  C  C237  1  0.595992  0.060384  0.593641  1
  C  C238  1  0.923187  0.253127  0.578223  1
  C  C239  1  0.474616  0.633044  0.603917  1
  C  C240  1  0.026730  0.012712  0.629526  1
  C  C241  1  0.057070  0.377517  0.677457  1
  C  C242  1  0.614523  0.757549  0.701402  1
  C  C243  1  0.160002  0.133577  0.727097  1
  C  C244  1  0.489943  0.328013  0.712313  1
  C  C245  1  0.383858  0.570251  0.661274  1
  C  C246  1  0.937567  0.949170  0.686921  1
  C  C247  1  0.805229  0.582034  0.695868  1
  C  C248  1  0.371023  0.960428  0.721690  1
  C  C249  1  0.248816  0.200024  0.670528  1
  C  C250  1  0.577182  0.393087  0.655224  1
  C  C251  1  0.129624  0.773057  0.681201  1
  C  C252  1  0.679205  0.152156  0.706120  1
