# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74757746
_cell_length_b   10.32002860
_cell_length_c   50.92033264
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.99686629
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe120 C48'
_cell_volume   2942.89938483
_cell_formula_units_Z   24
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  0.630627  0.314948  0.271345  1
  Fe  Fe2  1  0.111101  0.688368  0.309991  1
  Fe  Fe3  1  0.896989  0.519691  0.308341  1
  Fe  Fe4  1  0.390162  0.907842  0.347039  1
  Fe  Fe5  1  0.631722  0.394953  0.315418  1
  Fe  Fe6  1  0.124253  0.009420  0.276606  1
  Fe  Fe7  1  0.520482  0.588713  0.284316  1
  Fe  Fe8  1  0.015608  0.980884  0.323404  1
  Fe  Fe9  1  0.993932  0.236318  0.296368  1
  Fe  Fe10  1  0.484680  0.622077  0.334214  1
  Fe  Fe11  1  0.671805  0.133162  0.302756  1
  Fe  Fe12  1  0.182569  0.517912  0.343135  1
  Fe  Fe13  1  0.184910  0.484715  0.275559  1
  Fe  Fe14  1  0.734352  0.868458  0.310226  1
  Fe  Fe15  1  0.828343  0.699589  0.275989  1
  Fe  Fe16  1  0.324133  0.077772  0.315346  1
  Fe  Fe17  1  0.876026  0.205000  0.342614  1
  Fe  Fe18  1  0.380346  0.814731  0.303841  1
  Fe  Fe19  1  0.279466  0.340531  0.309555  1
  Fe  Fe20  1  0.760842  0.730294  0.346718  1
  Fe  Fe21  1  0.602978  0.076714  0.348646  1
  Fe  Fe22  1  0.095350  0.463114  0.386639  1
  Fe  Fe23  1  0.885590  0.295935  0.386076  1
  Fe  Fe24  1  0.377736  0.682324  0.424284  1
  Fe  Fe25  1  0.615125  0.166915  0.391333  1
  Fe  Fe26  1  0.119815  0.781357  0.353188  1
  Fe  Fe27  1  0.515913  0.361716  0.361360  1
  Fe  Fe28  1  0.003060  0.752748  0.399788  1
  Fe  Fe29  1  0.975045  0.007078  0.373025  1
  Fe  Fe30  1  0.469030  0.394766  0.411358  1
  Fe  Fe31  1  0.670431  0.905541  0.380850  1
  Fe  Fe32  1  0.166203  0.291647  0.419420  1
  Fe  Fe33  1  0.237892  0.252939  0.349205  1
  Fe  Fe34  1  0.724811  0.641003  0.387418  1
  Fe  Fe35  1  0.814546  0.468249  0.353277  1
  Fe  Fe36  1  0.308554  0.853091  0.391755  1
  Fe  Fe37  1  0.859107  0.978402  0.419755  1
  Fe  Fe38  1  0.365780  0.591934  0.381353  1
  Fe  Fe39  1  0.254713  0.118511  0.385464  1
  Fe  Fe40  1  0.746782  0.505081  0.423651  1
  Fe  Fe41  1  0.588425  0.850212  0.425216  1
  Fe  Fe42  1  0.080840  0.237034  0.463481  1
  Fe  Fe43  1  0.870393  0.069185  0.462734  1
  Fe  Fe44  1  0.362940  0.456038  0.501105  1
  Fe  Fe45  1  0.599676  0.940935  0.468140  1
  Fe  Fe46  1  0.107124  0.554229  0.429756  1
  Fe  Fe47  1  0.497323  0.138118  0.438163  1
  Fe  Fe48  1  0.989615  0.524865  0.476459  1
  Fe  Fe49  1  0.961621  0.781370  0.449723  1
  Fe  Fe50  1  0.454057  0.168202  0.488088  1
  Fe  Fe51  1  0.658669  0.678850  0.457731  1
  Fe  Fe52  1  0.151144  0.065417  0.496138  1
  Fe  Fe53  1  0.218939  0.027666  0.425781  1
  Fe  Fe54  1  0.711620  0.414336  0.464139  1
  Fe  Fe55  1  0.799896  0.240544  0.430056  1
  Fe  Fe56  1  0.292417  0.627457  0.468483  1
  Fe  Fe57  1  0.843816  0.752129  0.496518  1
  Fe  Fe58  1  0.351552  0.365333  0.458108  1
  Fe  Fe59  1  0.239463  0.891926  0.462097  1
  Fe  Fe60  1  0.731844  0.278762  0.500448  1
  Fe  Fe61  1  0.573132  0.623675  0.501856  1
  Fe  Fe62  1  0.065679  0.010528  0.540226  1
  Fe  Fe63  1  0.855233  0.842679  0.539480  1
  Fe  Fe64  1  0.347648  0.229500  0.577745  1
  Fe  Fe65  1  0.584520  0.714380  0.544853  1
  Fe  Fe66  1  0.092256  0.327584  0.506443  1
  Fe  Fe67  1  0.482015  0.911511  0.514873  1
  Fe  Fe68  1  0.974451  0.298343  0.553238  1
  Fe  Fe69  1  0.946458  0.554848  0.526502  1
  Fe  Fe70  1  0.438749  0.941595  0.564798  1
  Fe  Fe71  1  0.643656  0.452256  0.534478  1
  Fe  Fe72  1  0.136176  0.839169  0.572905  1
  Fe  Fe73  1  0.204229  0.800951  0.502513  1
  Fe  Fe74  1  0.696610  0.187787  0.540864  1
  Fe  Fe75  1  0.784928  0.014296  0.506823  1
  Fe  Fe76  1  0.277403  0.400863  0.545230  1
  Fe  Fe77  1  0.828948  0.525484  0.573205  1
  Fe  Fe78  1  0.336396  0.138778  0.534821  1
  Fe  Fe79  1  0.224453  0.665377  0.538822  1
  Fe  Fe80  1  0.717133  0.052046  0.577180  1
  Fe  Fe81  1  0.558336  0.397389  0.578677  1
  Fe  Fe82  1  0.050482  0.783778  0.616885  1
  Fe  Fe83  1  0.840723  0.616599  0.616322  1
  Fe  Fe84  1  0.333094  0.002999  0.654315  1
  Fe  Fe85  1  0.570293  0.487779  0.621608  1
  Fe  Fe86  1  0.076965  0.101311  0.583206  1
  Fe  Fe87  1  0.467043  0.684947  0.591603  1
  Fe  Fe88  1  0.961028  0.072634  0.629935  1
  Fe  Fe89  1  0.933012  0.326965  0.603173  1
  Fe  Fe90  1  0.420159  0.717997  0.641601  1
  Fe  Fe91  1  0.627518  0.226622  0.611205  1
  Fe  Fe92  1  0.121527  0.611464  0.649684  1
  Fe  Fe93  1  0.189290  0.574632  0.579310  1
  Fe  Fe94  1  0.681359  0.961202  0.617497  1
  Fe  Fe95  1  0.769869  0.788066  0.583541  1
  Fe  Fe96  1  0.265641  0.174172  0.622111  1
  Fe  Fe97  1  0.816257  0.298356  0.649773  1
  Fe  Fe98  1  0.320947  0.912798  0.611628  1
  Fe  Fe99  1  0.211262  0.438710  0.615543  1
  Fe  Fe100  1  0.698181  0.826774  0.653756  1
  Fe  Fe101  1  0.545910  0.171870  0.655922  1
  Fe  Fe102  1  0.039083  0.560022  0.694620  1
  Fe  Fe103  1  0.824971  0.391345  0.692970  1
  Fe  Fe104  1  0.305446  0.764765  0.731616  1
  Fe  Fe105  1  0.555727  0.264982  0.699120  1
  Fe  Fe106  1  0.060046  0.874712  0.660347  1
  Fe  Fe107  1  0.451393  0.457636  0.668747  1
  Fe  Fe108  1  0.942140  0.843395  0.706593  1
  Fe  Fe109  1  0.920465  0.098829  0.679557  1
  Fe  Fe110  1  0.415591  0.491000  0.718645  1
  Fe  Fe111  1  0.611939  0.001941  0.687615  1
  Fe  Fe112  1  0.107729  0.380124  0.726972  1
  Fe  Fe113  1  0.175230  0.349419  0.656243  1
  Fe  Fe114  1  0.656607  0.739182  0.693406  1
  Fe  Fe115  1  0.753504  0.561801  0.659826  1
  Fe  Fe116  1  0.264268  0.946551  0.700205  1
  Fe  Fe117  1  0.811820  0.070293  0.726355  1
  Fe  Fe118  1  0.304351  0.684760  0.687543  1
  Fe  Fe119  1  0.201720  0.211255  0.692735  1
  Fe  Fe120  1  0.751163  0.594998  0.727401  1
  C  C121  1  0.535355  0.246597  0.331371  1
  C  C122  1  0.039102  0.861615  0.294048  1
  C  C123  1  0.209466  0.296396  0.272879  1
  C  C124  1  0.680201  0.691144  0.309617  1
  C  C125  1  0.331798  0.518110  0.309384  1
  C  C126  1  0.821611  0.906070  0.347182  1
  C  C127  1  0.975629  0.351622  0.326292  1
  C  C128  1  0.467064  0.963989  0.287087  1
  C  C129  1  0.518479  0.021405  0.408419  1
  C  C130  1  0.024735  0.635182  0.370180  1
  C  C131  1  0.171438  0.078454  0.348938  1
  C  C132  1  0.662854  0.465472  0.386853  1
  C  C133  1  0.318365  0.293665  0.385854  1
  C  C134  1  0.809921  0.680342  0.424094  1
  C  C135  1  0.954762  0.124263  0.402690  1
  C  C136  1  0.461361  0.737533  0.364179  1
  C  C137  1  0.503426  0.794974  0.485096  1
  C  C138  1  0.010703  0.408275  0.446694  1
  C  C139  1  0.156404  0.852271  0.425360  1
  C  C140  1  0.648681  0.239032  0.463696  1
  C  C141  1  0.302567  0.067194  0.462521  1
  C  C142  1  0.795224  0.453969  0.500866  1
  C  C143  1  0.940218  0.897893  0.479502  1
  C  C144  1  0.447834  0.511255  0.441138  1
  C  C145  1  0.488238  0.568458  0.561823  1
  C  C146  1  0.995854  0.181820  0.523459  1
  C  C147  1  0.140849  0.625743  0.502095  1
  C  C148  1  0.633505  0.012519  0.540440  1
  C  C149  1  0.287391  0.840681  0.539265  1
  C  C150  1  0.779669  0.227441  0.577601  1
  C  C151  1  0.925370  0.671438  0.556267  1
  C  C152  1  0.432647  0.284739  0.517864  1
  C  C153  1  0.474711  0.342180  0.638782  1
  C  C154  1  0.981311  0.955450  0.600271  1
  C  C155  1  0.126152  0.399371  0.578867  1
  C  C156  1  0.617707  0.786048  0.617107  1
  C  C157  1  0.273218  0.614240  0.616108  1
  C  C158  1  0.764635  0.001259  0.654023  1
  C  C159  1  0.911338  0.444531  0.632781  1
  C  C160  1  0.417594  0.058308  0.594542  1
  C  C161  1  0.469009  0.115724  0.715874  1
  C  C162  1  0.960443  0.728091  0.676668  1
  C  C163  1  0.114461  0.173643  0.655779  1
  C  C164  1  0.604274  0.561602  0.693577  1
  C  C165  1  0.255872  0.388569  0.693344  1
  C  C166  1  0.726607  0.783317  0.730082  1
  C  C167  1  0.896970  0.218098  0.708913  1
  C  C168  1  0.400717  0.833116  0.671590  1
