# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.61623105
_cell_length_b   7.82126512
_cell_length_c   48.99413644
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.16630196
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe160 C64'
_cell_volume   4067.66800468
_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  0.365135  0.006658  0.328085  1
  Fe  Fe2  1  0.953574  0.207645  0.298924  1
  Fe  Fe3  1  0.053847  0.430181  0.322152  1
  Fe  Fe4  1  0.645354  0.626171  0.293098  1
  Fe  Fe5  1  0.282470  0.072231  0.283284  1
  Fe  Fe6  1  0.704182  0.891184  0.312342  1
  Fe  Fe7  1  0.111536  0.931395  0.306121  1
  Fe  Fe8  1  0.524033  0.734474  0.333647  1
  Fe  Fe9  1  0.513497  0.896837  0.287438  1
  Fe  Fe10  1  0.898862  0.707004  0.318758  1
  Fe  Fe11  1  0.520474  0.174866  0.303907  1
  Fe  Fe12  1  0.929337  0.977052  0.332864  1
  Fe  Fe13  1  0.153812  0.124910  0.338774  1
  Fe  Fe14  1  0.741888  0.325480  0.310377  1
  Fe  Fe15  1  0.085877  0.645221  0.289052  1
  Fe  Fe16  1  0.492763  0.458921  0.317573  1
  Fe  Fe17  1  0.306099  0.752201  0.309900  1
  Fe  Fe18  1  0.718638  0.551400  0.339156  1
  Fe  Fe19  1  0.264525  0.318416  0.311894  1
  Fe  Fe20  1  0.864806  0.522072  0.284390  1
  Fe  Fe21  1  0.185233  0.611716  0.384189  1
  Fe  Fe22  1  0.774971  0.810754  0.356564  1
  Fe  Fe23  1  0.874729  0.036034  0.377656  1
  Fe  Fe24  1  0.465144  0.232851  0.349888  1
  Fe  Fe25  1  0.111129  0.690568  0.339805  1
  Fe  Fe26  1  0.521942  0.492440  0.367413  1
  Fe  Fe27  1  0.932633  0.534649  0.361468  1
  Fe  Fe28  1  0.342836  0.337523  0.389164  1
  Fe  Fe29  1  0.309826  0.508978  0.346016  1
  Fe  Fe30  1  0.717102  0.310937  0.372664  1
  Fe  Fe31  1  0.338738  0.779754  0.360251  1
  Fe  Fe32  1  0.747056  0.581097  0.388296  1
  Fe  Fe33  1  0.974359  0.729461  0.394226  1
  Fe  Fe34  1  0.564272  0.928480  0.366212  1
  Fe  Fe35  1  0.904393  0.266675  0.346275  1
  Fe  Fe36  1  0.313605  0.066955  0.373727  1
  Fe  Fe37  1  0.129739  0.352421  0.367094  1
  Fe  Fe38  1  0.538321  0.156421  0.394422  1
  Fe  Fe39  1  0.086159  0.917683  0.367920  1
  Fe  Fe40  1  0.674754  0.115998  0.340391  1
  Fe  Fe41  1  0.005406  0.215577  0.439753  1
  Fe  Fe42  1  0.595179  0.413809  0.411909  1
  Fe  Fe43  1  0.695393  0.640113  0.433269  1
  Fe  Fe44  1  0.285279  0.837892  0.405412  1
  Fe  Fe45  1  0.931707  0.294031  0.395390  1
  Fe  Fe46  1  0.341679  0.096251  0.423073  1
  Fe  Fe47  1  0.752642  0.139196  0.417036  1
  Fe  Fe48  1  0.162907  0.941540  0.444750  1
  Fe  Fe49  1  0.128892  0.112461  0.400640  1
  Fe  Fe50  1  0.537953  0.914491  0.428319  1
  Fe  Fe51  1  0.157395  0.383241  0.416019  1
  Fe  Fe52  1  0.567036  0.184964  0.443738  1
  Fe  Fe53  1  0.794591  0.333635  0.449656  1
  Fe  Fe54  1  0.384372  0.531859  0.421772  1
  Fe  Fe55  1  0.723472  0.869472  0.401617  1
  Fe  Fe56  1  0.133508  0.671007  0.429349  1
  Fe  Fe57  1  0.949109  0.957738  0.422303  1
  Fe  Fe58  1  0.359192  0.759961  0.449959  1
  Fe  Fe59  1  0.906057  0.522192  0.423381  1
  Fe  Fe60  1  0.495613  0.720137  0.395593  1
  Fe  Fe61  1  0.825648  0.819593  0.495265  1
  Fe  Fe62  1  0.415465  0.017811  0.467490  1
  Fe  Fe63  1  0.515780  0.244168  0.488844  1
  Fe  Fe64  1  0.105670  0.442378  0.461082  1
  Fe  Fe65  1  0.751774  0.898086  0.450836  1
  Fe  Fe66  1  0.161983  0.700025  0.478587  1
  Fe  Fe67  1  0.572933  0.743361  0.472490  1
  Fe  Fe68  1  0.983088  0.545252  0.500271  1
  Fe  Fe69  1  0.948117  0.716485  0.456065  1
  Fe  Fe70  1  0.358400  0.518517  0.483802  1
  Fe  Fe71  1  0.977450  0.986965  0.471519  1
  Fe  Fe72  1  0.387484  0.788862  0.499262  1
  Fe  Fe73  1  0.614911  0.937558  0.505170  1
  Fe  Fe74  1  0.204779  0.135613  0.477434  1
  Fe  Fe75  1  0.543814  0.472903  0.457038  1
  Fe  Fe76  1  0.953977  0.274893  0.484827  1
  Fe  Fe77  1  0.769325  0.561791  0.477727  1
  Fe  Fe78  1  0.179438  0.363817  0.505485  1
  Fe  Fe79  1  0.726485  0.126225  0.478913  1
  Fe  Fe80  1  0.316577  0.324394  0.451155  1
  Fe  Fe81  1  0.645877  0.423343  0.550748  1
  Fe  Fe82  1  0.235767  0.621552  0.522987  1
  Fe  Fe83  1  0.336081  0.847909  0.544340  1
  Fe  Fe84  1  0.925899  0.046127  0.516565  1
  Fe  Fe85  1  0.572109  0.501903  0.506345  1
  Fe  Fe86  1  0.982222  0.303929  0.534104  1
  Fe  Fe87  1  0.393147  0.347203  0.528029  1
  Fe  Fe88  1  0.803430  0.149235  0.555765  1
  Fe  Fe89  1  0.768459  0.320468  0.511560  1
  Fe  Fe90  1  0.178613  0.122360  0.539340  1
  Fe  Fe91  1  0.797570  0.590828  0.527003  1
  Fe  Fe92  1  0.207733  0.392818  0.554792  1
  Fe  Fe93  1  0.434970  0.541326  0.560675  1
  Fe  Fe94  1  0.025062  0.739496  0.532918  1
  Fe  Fe95  1  0.364063  0.076859  0.512568  1
  Fe  Fe96  1  0.774097  0.878755  0.540311  1
  Fe  Fe97  1  0.589564  0.165695  0.533243  1
  Fe  Fe98  1  -0.000228  0.967635  0.560994  1
  Fe  Fe99  1  0.546768  0.730108  0.534396  1
  Fe  Fe100  1  0.136636  0.928163  0.506660  1
  Fe  Fe101  1  0.466268  0.027828  0.606418  1
  Fe  Fe102  1  0.056154  0.225607  0.578561  1
  Fe  Fe103  1  0.156367  0.451911  0.599921  1
  Fe  Fe104  1  0.746141  0.650144  0.572077  1
  Fe  Fe105  1  0.392355  0.105759  0.561871  1
  Fe  Fe106  1  0.802438  0.907983  0.589527  1
  Fe  Fe107  1  0.213594  0.951229  0.583511  1
  Fe  Fe108  1  0.622655  0.753260  0.611190  1
  Fe  Fe109  1  0.588640  0.924180  0.567080  1
  Fe  Fe110  1  0.998905  0.726524  0.594795  1
  Fe  Fe111  1  0.618038  0.194714  0.582482  1
  Fe  Fe112  1  0.028075  -0.003751  0.610213  1
  Fe  Fe113  1  0.255934  0.145583  0.616238  1
  Fe  Fe114  1  0.845490  0.343528  0.588450  1
  Fe  Fe115  1  0.184511  0.680757  0.568093  1
  Fe  Fe116  1  0.594152  0.482479  0.595812  1
  Fe  Fe117  1  0.409867  0.769469  0.588758  1
  Fe  Fe118  1  0.819840  0.571689  0.616441  1
  Fe  Fe119  1  0.367175  0.333861  0.590059  1
  Fe  Fe120  1  0.956955  0.532085  0.562175  1
  Fe  Fe121  1  0.286403  0.632870  0.661942  1
  Fe  Fe122  1  0.876818  0.829686  0.634174  1
  Fe  Fe123  1  0.976575  0.054966  0.655267  1
  Fe  Fe124  1  0.566314  0.254005  0.627641  1
  Fe  Fe125  1  0.213225  0.709299  0.617408  1
  Fe  Fe126  1  0.621808  0.513300  0.644736  1
  Fe  Fe127  1  0.034445  0.554783  0.639167  1
  Fe  Fe128  1  0.441721  0.356742  0.665814  1
  Fe  Fe129  1  0.408711  0.528197  0.622666  1
  Fe  Fe130  1  0.818913  0.331071  0.650362  1
  Fe  Fe131  1  0.437942  0.798765  0.638104  1
  Fe  Fe132  1  0.847154  0.599045  0.665556  1
  Fe  Fe133  1  0.076792  0.749722  0.671440  1
  Fe  Fe134  1  0.665388  0.948037  0.643910  1
  Fe  Fe135  1  0.004491  0.284623  0.623534  1
  Fe  Fe136  1  0.412809  0.085967  0.651580  1
  Fe  Fe137  1  0.229605  0.373280  0.644418  1
  Fe  Fe138  1  0.640418  0.175153  0.672025  1
  Fe  Fe139  1  0.187274  0.937240  0.645619  1
  Fe  Fe140  1  0.777188  0.136259  0.617605  1
  Fe  Fe141  1  0.106193  0.239549  0.718732  1
  Fe  Fe142  1  0.697700  0.435539  0.689678  1
  Fe  Fe143  1  0.797972  0.658075  0.712906  1
  Fe  Fe144  1  0.386412  0.859062  0.683746  1
  Fe  Fe145  1  0.032909  0.314320  0.672674  1
  Fe  Fe146  1  0.445447  0.113519  0.701930  1
  Fe  Fe147  1  0.852685  0.158716  0.693073  1
  Fe  Fe148  1  0.238049  0.968883  0.724393  1
  Fe  Fe149  1  0.227514  0.131246  0.678184  1
  Fe  Fe150  1  0.640011  0.934325  0.705710  1
  Fe  Fe151  1  0.258784  0.406799  0.694257  1
  Fe  Fe152  1  0.665669  0.220500  0.722778  1
  Fe  Fe153  1  0.886740  0.343648  0.727440  1
  Fe  Fe154  1  0.487022  0.547304  0.699937  1
  Fe  Fe155  1  0.822210  0.888668  0.678967  1
  Fe  Fe156  1  0.231072  0.690855  0.707923  1
  Fe  Fe157  1  0.047365  0.974537  0.699489  1
  Fe  Fe158  1  0.469077  0.793490  0.728547  1
  Fe  Fe159  1  0.009658  0.540240  0.701454  1
  Fe  Fe160  1  0.597735  0.740810  0.673057  1
  C  C161  1  0.213129  0.891402  0.338038  1
  C  C162  1  0.804519  0.093675  0.311122  1
  C  C163  1  0.468019  0.669169  0.297882  1
  C  C164  1  0.874654  0.466227  0.324154  1
  C  C165  1  0.133066  0.171336  0.299294  1
  C  C166  1  0.544579  0.973476  0.325919  1
  C  C167  1  0.205958  0.551601  0.314544  1
  C  C168  1  0.797391  0.751013  0.286968  1
  C  C169  1  0.032887  0.495593  0.393597  1
  C  C170  1  0.622719  0.694510  0.365967  1
  C  C171  1  0.285950  0.268687  0.351993  1
  C  C172  1  0.695591  0.071661  0.380009  1
  C  C173  1  0.954127  0.774346  0.354497  1
  C  C174  1  0.364449  0.576756  0.381787  1
  C  C175  1  0.027766  0.151614  0.368651  1
  C  C176  1  0.616991  0.350207  0.340515  1
  C  C177  1  0.852952  0.099675  0.449140  1
  C  C178  1  0.442775  0.297902  0.421321  1
  C  C179  1  0.106064  0.873120  0.407701  1
  C  C180  1  0.516106  0.674964  0.435390  1
  C  C181  1  0.774445  0.378577  0.409846  1
  C  C182  1  0.184735  0.181053  0.437657  1
  C  C183  1  0.847852  0.756222  0.423960  1
  C  C184  1  0.437753  0.954306  0.396209  1
  C  C185  1  0.673183  0.703563  0.504597  1
  C  C186  1  0.263109  0.901645  0.476859  1
  C  C187  1  0.926353  0.477000  0.463186  1
  C  C188  1  0.336498  0.279090  0.490952  1
  C  C189  1  0.594740  0.982853  0.465378  1
  C  C190  1  0.004928  0.784701  0.493131  1
  C  C191  1  0.668170  0.360200  0.479457  1
  C  C192  1  0.258118  0.558305  0.451701  1
  C  C193  1  0.493428  0.307415  0.560130  1
  C  C194  1  0.083377  0.505521  0.532373  1
  C  C195  1  0.746619  0.081019  0.518700  1
  C  C196  1  0.156806  0.882867  0.546453  1
  C  C197  1  0.415049  0.586630  0.520878  1
  C  C198  1  0.825193  0.388720  0.548645  1
  C  C199  1  0.488437  0.964075  0.534971  1
  C  C200  1  0.078364  0.162157  0.507234  1
  C  C201  1  0.313794  0.911414  0.615622  1
  C  C202  1  0.903695  0.109498  0.587870  1
  C  C203  1  0.566812  0.684667  0.574174  1
  C  C204  1  0.977102  0.487144  0.601985  1
  C  C205  1  0.235441  0.190756  0.576440  1
  C  C206  1  0.645483  0.992600  0.604130  1
  C  C207  1  0.308772  0.567818  0.590510  1
  C  C208  1  0.898595  0.766045  0.562691  1
  C  C209  1  0.134556  0.515514  0.671316  1
  C  C210  1  0.723780  0.714106  0.643180  1
  C  C211  1  0.387098  0.288964  0.630044  1
  C  C212  1  0.797420  0.091374  0.657334  1
  C  C213  1  0.055956  0.794059  0.631821  1
  C  C214  1  0.465597  0.597034  0.659838  1
  C  C215  1  0.128827  0.171210  0.645863  1
  C  C216  1  0.718659  0.370127  0.618234  1
  C  C217  1  0.954156  0.114707  0.724862  1
  C  C218  1  0.545589  0.314120  0.697286  1
  C  C219  1  0.206968  0.892245  0.685911  1
  C  C220  1  0.618481  0.694384  0.712536  1
  C  C221  1  0.876892  0.399493  0.687677  1
  C  C222  1  0.283528  0.196551  0.713948  1
  C  C223  1  0.947027  0.772046  0.700708  1
  C  C224  1  0.538418  0.974318  0.673793  1
