# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.08194503
_cell_length_b   6.87679295
_cell_length_c   49.03070869
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.12076773
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe180 C72'
_cell_volume   4409.29674309
_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  0.642454  0.199465  0.316523  1
  Fe  Fe2  1  0.972498  0.079536  0.290063  1
  Fe  Fe3  1  0.313121  0.316446  0.342136  1
  Fe  Fe4  1  0.418187  0.734948  0.297319  1
  Fe  Fe5  1  0.755124  0.600824  0.271358  1
  Fe  Fe6  1  0.090317  0.850827  0.323577  1
  Fe  Fe7  1  0.499506  0.527791  0.335523  1
  Fe  Fe8  1  0.829417  0.408360  0.310272  1
  Fe  Fe9  1  0.161471  0.283196  0.284109  1
  Fe  Fe10  1  0.425261  0.375597  0.302401  1
  Fe  Fe11  1  0.752087  0.264106  0.276828  1
  Fe  Fe12  1  0.093487  0.491182  0.328369  1
  Fe  Fe13  1  0.638532  0.558711  0.311975  1
  Fe  Fe14  1  0.968831  0.438632  0.285415  1
  Fe  Fe15  1  0.309371  0.677199  0.337485  1
  Fe  Fe16  1  0.687752  0.997766  0.273802  1
  Fe  Fe17  1  0.027286  0.240563  0.325625  1
  Fe  Fe18  1  0.354583  0.126556  0.298601  1
  Fe  Fe19  1  0.523953  0.058898  0.327192  1
  Fe  Fe20  1  0.853241  0.934990  0.301387  1
  Fe  Fe21  1  0.183729  0.820770  0.275859  1
  Fe  Fe22  1  0.375366  0.929399  0.340010  1
  Fe  Fe23  1  0.705345  0.809491  0.314456  1
  Fe  Fe24  1  0.038168  0.685623  0.288498  1
  Fe  Fe25  1  0.562612  0.406678  0.278333  1
  Fe  Fe26  1  0.903790  0.641067  0.329877  1
  Fe  Fe27  1  0.231971  0.523819  0.305278  1
  Fe  Fe28  1  0.540619  0.870459  0.286380  1
  Fe  Fe29  1  0.879073  0.109627  0.338278  1
  Fe  Fe30  1  0.209701  0.990093  0.312799  1
  Fe  Fe31  1  0.651732  0.558819  0.393512  1
  Fe  Fe32  1  0.982610  0.437618  0.368083  1
  Fe  Fe33  1  0.322199  0.677267  0.419304  1
  Fe  Fe34  1  0.430744  0.088969  0.374680  1
  Fe  Fe35  1  0.760724  0.968716  0.349051  1
  Fe  Fe36  1  0.100480  0.208726  0.400597  1
  Fe  Fe37  1  0.509964  0.884445  0.412710  1
  Fe  Fe38  1  0.839658  0.765150  0.387057  1
  Fe  Fe39  1  0.169910  0.645833  0.361326  1
  Fe  Fe40  1  0.433818  0.731105  0.379659  1
  Fe  Fe41  1  0.763513  0.610508  0.354026  1
  Fe  Fe42  1  0.103826  0.849773  0.405499  1
  Fe  Fe43  1  0.649555  0.915823  0.388725  1
  Fe  Fe44  1  0.979162  0.795990  0.362504  1
  Fe  Fe45  1  0.319340  0.035810  0.414386  1
  Fe  Fe46  1  0.697457  0.357716  0.351101  1
  Fe  Fe47  1  0.037095  0.599613  0.402615  1
  Fe  Fe48  1  0.367200  0.478733  0.376743  1
  Fe  Fe49  1  0.534166  0.416607  0.404245  1
  Fe  Fe50  1  0.863822  0.296412  0.378818  1
  Fe  Fe51  1  0.193965  0.177678  0.353046  1
  Fe  Fe52  1  0.385839  0.286931  0.417233  1
  Fe  Fe53  1  0.715910  0.167744  0.391484  1
  Fe  Fe54  1  0.045424  0.046472  0.365816  1
  Fe  Fe55  1  0.572215  0.762864  0.354964  1
  Fe  Fe56  1  0.912926  0.000728  0.407031  1
  Fe  Fe57  1  0.243105  0.881695  0.381463  1
  Fe  Fe58  1  0.548482  0.230765  0.363995  1
  Fe  Fe59  1  0.888596  0.469336  0.415462  1
  Fe  Fe60  1  0.219014  0.349502  0.389787  1
  Fe  Fe61  1  0.661895  0.917026  0.470719  1
  Fe  Fe62  1  0.992008  0.797345  0.445009  1
  Fe  Fe63  1  0.331969  0.036497  0.496464  1
  Fe  Fe64  1  0.440727  0.447612  0.451920  1
  Fe  Fe65  1  0.770758  0.327820  0.426208  1
  Fe  Fe66  1  0.110649  0.567229  0.477690  1
  Fe  Fe67  1  0.519704  0.243570  0.489919  1
  Fe  Fe68  1  0.849655  0.124011  0.464194  1
  Fe  Fe69  1  0.179846  0.004116  0.438474  1
  Fe  Fe70  1  0.443300  0.089547  0.456899  1
  Fe  Fe71  1  0.773327  0.969983  0.431167  1
  Fe  Fe72  1  0.113459  0.209128  0.482619  1
  Fe  Fe73  1  0.659256  0.275041  0.465753  1
  Fe  Fe74  1  0.989360  0.155241  0.440122  1
  Fe  Fe75  1  0.329318  0.394601  0.491514  1
  Fe  Fe76  1  0.707061  0.718133  0.428337  1
  Fe  Fe77  1  0.046993  0.957689  0.479792  1
  Fe  Fe78  1  0.377024  0.837854  0.453968  1
  Fe  Fe79  1  0.543974  0.775542  0.481488  1
  Fe  Fe80  1  0.874036  0.655882  0.455765  1
  Fe  Fe81  1  0.204130  0.536261  0.430065  1
  Fe  Fe82  1  0.395617  0.646136  0.494384  1
  Fe  Fe83  1  0.725596  0.526570  0.468651  1
  Fe  Fe84  1  0.055581  0.406939  0.442924  1
  Fe  Fe85  1  0.582922  0.121106  0.432707  1
  Fe  Fe86  1  0.922848  0.360330  0.484204  1
  Fe  Fe87  1  0.252970  0.240580  0.458499  1
  Fe  Fe88  1  0.558529  0.589097  0.441176  1
  Fe  Fe89  1  0.898495  0.828349  0.492631  1
  Fe  Fe90  1  0.228731  0.708538  0.466915  1
  Fe  Fe91  1  0.671798  0.275900  0.547925  1
  Fe  Fe92  1  0.001875  0.156283  0.522155  1
  Fe  Fe93  1  0.341767  0.395693  0.573637  1
  Fe  Fe94  1  0.450630  0.806487  0.529126  1
  Fe  Fe95  1  0.780556  0.687015  0.503381  1
  Fe  Fe96  1  0.120516  0.926168  0.554836  1
  Fe  Fe97  1  0.529602  0.602406  0.567138  1
  Fe  Fe98  1  0.859555  0.482933  0.541346  1
  Fe  Fe99  1  0.189676  0.363182  0.515641  1
  Fe  Fe100  1  0.453269  0.448471  0.534092  1
  Fe  Fe101  1  0.783207  0.328911  0.508331  1
  Fe  Fe102  1  0.123165  0.568272  0.559723  1
  Fe  Fe103  1  0.669224  0.633965  0.542946  1
  Fe  Fe104  1  0.999065  0.514384  0.517226  1
  Fe  Fe105  1  0.339198  0.753529  0.568678  1
  Fe  Fe106  1  0.716908  0.077377  0.505461  1
  Fe  Fe107  1  0.056943  0.316573  0.556921  1
  Fe  Fe108  1  0.386929  0.196942  0.531194  1
  Fe  Fe109  1  0.553996  0.134415  0.558669  1
  Fe  Fe110  1  0.883793  0.014974  0.532930  1
  Fe  Fe111  1  0.214030  0.895164  0.507214  1
  Fe  Fe112  1  0.405464  0.005379  0.571508  1
  Fe  Fe113  1  0.735500  0.885658  0.545877  1
  Fe  Fe114  1  0.065531  0.765824  0.520053  1
  Fe  Fe115  1  0.592821  0.479942  0.509926  1
  Fe  Fe116  1  0.932679  0.719397  0.561371  1
  Fe  Fe117  1  0.262869  0.599501  0.535651  1
  Fe  Fe118  1  0.568551  0.947971  0.518357  1
  Fe  Fe119  1  0.908395  0.187251  0.569780  1
  Fe  Fe120  1  0.238489  0.067630  0.544080  1
  Fe  Fe121  1  0.681780  0.634543  0.625165  1
  Fe  Fe122  1  0.012045  0.514786  0.599248  1
  Fe  Fe123  1  0.351800  0.754796  0.650793  1
  Fe  Fe124  1  0.460792  0.164693  0.606333  1
  Fe  Fe125  1  0.790325  0.046246  0.580541  1
  Fe  Fe126  1  0.129915  0.285894  0.631762  1
  Fe  Fe127  1  0.540310  0.960648  0.644881  1
  Fe  Fe128  1  0.869420  0.841817  0.618382  1
  Fe  Fe129  1  0.199599  0.722784  0.592814  1
  Fe  Fe130  1  0.462970  0.807689  0.611120  1
  Fe  Fe131  1  0.793185  0.687702  0.585459  1
  Fe  Fe132  1  0.133363  0.927523  0.637341  1
  Fe  Fe133  1  0.678707  0.992407  0.620186  1
  Fe  Fe134  1  0.008699  0.873739  0.594346  1
  Fe  Fe135  1  0.349011  0.113005  0.645819  1
  Fe  Fe136  1  0.726686  0.436581  0.582612  1
  Fe  Fe137  1  0.067101  0.677040  0.634029  1
  Fe  Fe138  1  0.396615  0.555768  0.608361  1
  Fe  Fe139  1  0.564043  0.492747  0.635850  1
  Fe  Fe140  1  0.893510  0.374010  0.610058  1
  Fe  Fe141  1  0.223928  0.254176  0.584383  1
  Fe  Fe142  1  0.415068  0.365796  0.648744  1
  Fe  Fe143  1  0.745325  0.244780  0.623102  1
  Fe  Fe144  1  0.075430  0.123899  0.597230  1
  Fe  Fe145  1  0.602561  0.839067  0.587135  1
  Fe  Fe146  1  0.942615  0.077679  0.638519  1
  Fe  Fe147  1  0.272867  0.958362  0.612788  1
  Fe  Fe148  1  0.578359  0.306905  0.595600  1
  Fe  Fe149  1  0.918560  0.545834  0.646799  1
  Fe  Fe150  1  0.248702  0.427101  0.621027  1
  Fe  Fe151  1  0.694337  0.988564  0.702526  1
  Fe  Fe152  1  0.022207  0.872685  0.676268  1
  Fe  Fe153  1  0.357401  0.122688  0.728487  1
  Fe  Fe154  1  0.470071  0.524048  0.683322  1
  Fe  Fe155  1  0.799403  0.407067  0.657709  1
  Fe  Fe156  1  0.140026  0.643976  0.709782  1
  Fe  Fe157  1  0.549913  0.316835  0.721512  1
  Fe  Fe158  1  0.880554  0.199693  0.694567  1
  Fe  Fe159  1  0.208735  0.082445  0.669968  1
  Fe  Fe160  1  0.473993  0.164801  0.687870  1
  Fe  Fe161  1  0.803154  0.046314  0.662360  1
  Fe  Fe162  1  0.143694  0.284880  0.714430  1
  Fe  Fe163  1  0.687263  0.347915  0.697444  1
  Fe  Fe164  1  0.019037  0.232330  0.671476  1
  Fe  Fe165  1  0.360438  0.459407  0.723017  1
  Fe  Fe166  1  0.737159  0.794113  0.659835  1
  Fe  Fe167  1  0.074357  0.037889  0.711347  1
  Fe  Fe168  1  0.407180  0.914022  0.685388  1
  Fe  Fe169  1  0.571905  0.853053  0.713465  1
  Fe  Fe170  1  0.902824  0.733419  0.687046  1
  Fe  Fe171  1  0.233452  0.613885  0.661567  1
  Fe  Fe172  1  0.424772  0.725746  0.726043  1
  Fe  Fe173  1  0.757941  0.596956  0.701244  1
  Fe  Fe174  1  0.085239  0.482949  0.674220  1
  Fe  Fe175  1  0.613019  0.195721  0.664322  1
  Fe  Fe176  1  0.951053  0.440317  0.715736  1
  Fe  Fe177  1  0.283108  0.315152  0.689573  1
  Fe  Fe178  1  0.588572  0.664614  0.672653  1
  Fe  Fe179  1  0.928796  0.902742  0.723986  1
  Fe  Fe180  1  0.259284  0.788523  0.698458  1
  C  C181  1  0.558921  0.135909  0.292691  1
  C  C182  1  0.898296  0.375357  0.344373  1
  C  C183  1  0.227987  0.256061  0.318496  1
  C  C184  1  0.637506  0.562007  0.272785  1
  C  C185  1  0.975274  0.802671  0.323295  1
  C  C186  1  0.304293  0.682944  0.298306  1
  C  C187  1  0.427722  0.366151  0.341601  1
  C  C188  1  0.758118  0.245284  0.315964  1
  C  C189  1  0.088354  0.125048  0.290640  1
  C  C190  1  0.503363  0.796738  0.320778  1
  C  C191  1  0.834649  0.671402  0.295855  1
  C  C192  1  0.168618  0.548853  0.270469  1
  C  C193  1  0.568054  0.495411  0.369700  1
  C  C194  1  0.907805  0.735151  0.421236  1
  C  C195  1  0.238182  0.614646  0.395517  1
  C  C196  1  0.644843  0.923458  0.349544  1
  C  C197  1  0.985318  0.160943  0.400930  1
  C  C198  1  0.315363  0.042003  0.375193  1
  C  C199  1  0.437563  0.724292  0.418859  1
  C  C200  1  0.767439  0.604613  0.393216  1
  C  C201  1  0.097834  0.485116  0.367558  1
  C  C202  1  0.514930  0.150778  0.398507  1
  C  C203  1  0.845101  0.030572  0.372798  1
  C  C204  1  0.174845  0.912602  0.347283  1
  C  C205  1  0.577738  0.854681  0.446949  1
  C  C206  1  0.917663  0.093998  0.498399  1
  C  C207  1  0.247880  0.974108  0.472674  1
  C  C208  1  0.655141  0.281665  0.426559  1
  C  C209  1  0.995135  0.520704  0.478031  1
  C  C210  1  0.325251  0.400959  0.452321  1
  C  C211  1  0.447449  0.083130  0.496093  1
  C  C212  1  0.777411  0.963540  0.470360  1
  C  C213  1  0.107522  0.843882  0.444694  1
  C  C214  1  0.524831  0.509888  0.475720  1
  C  C215  1  0.854846  0.390190  0.450002  1
  C  C216  1  0.184883  0.270818  0.424303  1
  C  C217  1  0.587694  0.213624  0.524125  1
  C  C218  1  0.927642  0.452694  0.575542  1
  C  C219  1  0.257678  0.333323  0.549843  1
  C  C220  1  0.665076  0.640382  0.503752  1
  C  C221  1  0.005003  0.879630  0.555151  1
  C  C222  1  0.335114  0.759972  0.529485  1
  C  C223  1  0.457383  0.441847  0.573286  1
  C  C224  1  0.787274  0.322553  0.547524  1
  C  C225  1  0.117390  0.202808  0.521814  1
  C  C226  1  0.534787  0.868831  0.552896  1
  C  C227  1  0.864645  0.749405  0.527171  1
  C  C228  1  0.194862  0.629514  0.501446  1
  C  C229  1  0.597595  0.572734  0.601338  1
  C  C230  1  0.937680  0.810910  0.652562  1
  C  C231  1  0.267424  0.692941  0.627047  1
  C  C232  1  0.674961  0.999221  0.580986  1
  C  C233  1  0.014691  0.238396  0.632287  1
  C  C234  1  0.345086  0.118899  0.606629  1
  C  C235  1  0.467681  0.800054  0.650301  1
  C  C236  1  0.797162  0.681509  0.624652  1
  C  C237  1  0.127207  0.562569  0.598915  1
  C  C238  1  0.544470  0.228101  0.630145  1
  C  C239  1  0.874342  0.108866  0.604328  1
  C  C240  1  0.204720  0.988362  0.578609  1
  C  C241  1  0.609161  0.926774  0.679067  1
  C  C242  1  0.943907  0.174659  0.729376  1
  C  C243  1  0.277875  0.052110  0.703990  1
  C  C244  1  0.684803  0.357361  0.658244  1
  C  C245  1  0.024171  0.598464  0.709205  1
  C  C246  1  0.354407  0.478228  0.683881  1
  C  C247  1  0.475019  0.161505  0.727060  1
  C  C248  1  0.808232  0.040568  0.701539  1
  C  C249  1  0.137251  0.920842  0.676550  1
  C  C250  1  0.553603  0.587603  0.707154  1
  C  C251  1  0.884538  0.467451  0.681349  1
  C  C252  1  0.214228  0.348155  0.655472  1
