# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46810356
_cell_length_b   6.60895379
_cell_length_c   49.30418973
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.21363342
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe140 C56'
_cell_volume   3396.9101775
_cell_formula_units_Z   28
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  0.770135  0.613241  0.311013  1
  Fe  Fe2  1  0.468068  0.043614  0.300083  1
  Fe  Fe3  1  0.597481  0.566761  0.277280  1
  Fe  Fe4  1  0.651967  0.289885  0.309210  1
  Fe  Fe5  1  0.661518  0.933900  0.290007  1
  Fe  Fe6  1  0.573829  0.683929  0.325588  1
  Fe  Fe7  1  0.787654  0.455300  0.266690  1
  Fe  Fe8  1  0.453393  0.356783  0.323390  1
  Fe  Fe9  1  0.877085  0.981982  0.285625  1
  Fe  Fe10  1  0.862879  0.255395  0.315013  1
  Fe  Fe11  1  0.292604  0.878084  0.276799  1
  Fe  Fe12  1  0.948302  0.780201  0.333077  1
  Fe  Fe13  1  0.078640  0.302327  0.309933  1
  Fe  Fe14  1  0.167880  0.552904  0.275397  1
  Fe  Fe15  1  0.146481  0.677931  0.322731  1
  Fe  Fe16  1  0.090919  0.950695  0.291704  1
  Fe  Fe17  1  0.273765  0.197428  0.298998  1
  Fe  Fe18  1  0.971282  0.619276  0.289688  1
  Fe  Fe19  1  0.361359  0.720493  0.319183  1
  Fe  Fe20  1  0.381426  0.519064  0.282091  1
  Fe  Fe21  1  0.736928  0.086234  0.377427  1
  Fe  Fe22  1  0.433016  0.514049  0.366796  1
  Fe  Fe23  1  0.563799  0.035910  0.344134  1
  Fe  Fe24  1  0.618845  0.759449  0.375660  1
  Fe  Fe25  1  0.629303  0.408333  0.356857  1
  Fe  Fe26  1  0.539832  0.156702  0.391874  1
  Fe  Fe27  1  0.760239  0.930330  0.334068  1
  Fe  Fe28  1  0.421307  0.829499  0.390050  1
  Fe  Fe29  1  0.846221  0.455326  0.352218  1
  Fe  Fe30  1  0.830190  0.725126  0.381770  1
  Fe  Fe31  1  0.253611  0.350408  0.343706  1
  Fe  Fe32  1  0.915424  0.249641  0.399773  1
  Fe  Fe33  1  0.047069  0.771778  0.377002  1
  Fe  Fe34  1  0.137403  0.022730  0.341584  1
  Fe  Fe35  1  0.112482  0.144939  0.389762  1
  Fe  Fe36  1  0.056865  0.420639  0.358318  1
  Fe  Fe37  1  0.242293  0.666576  0.366783  1
  Fe  Fe38  1  0.940074  0.094264  0.356314  1
  Fe  Fe39  1  0.328704  0.190665  0.385628  1
  Fe  Fe40  1  0.346794  0.989943  0.348080  1
  Fe  Fe41  1  0.703181  0.557163  0.443998  1
  Fe  Fe42  1  0.399390  0.984994  0.433413  1
  Fe  Fe43  1  0.530110  0.507023  0.410621  1
  Fe  Fe44  1  0.585575  0.230027  0.442234  1
  Fe  Fe45  1  0.595597  0.879731  0.423477  1
  Fe  Fe46  1  0.506189  0.627734  0.458476  1
  Fe  Fe47  1  0.727120  0.402067  0.400756  1
  Fe  Fe48  1  0.388369  0.300294  0.456669  1
  Fe  Fe49  1  0.812884  0.927130  0.418660  1
  Fe  Fe50  1  0.796351  0.195269  0.448359  1
  Fe  Fe51  1  0.220246  0.822531  0.410297  1
  Fe  Fe52  1  0.881888  0.719947  0.466391  1
  Fe  Fe53  1  0.013245  0.242227  0.443611  1
  Fe  Fe54  1  0.102800  0.494252  0.408580  1
  Fe  Fe55  1  0.078729  0.615254  0.456456  1
  Fe  Fe56  1  0.023163  0.892792  0.424809  1
  Fe  Fe57  1  0.209429  0.137229  0.433607  1
  Fe  Fe58  1  0.905944  0.565228  0.423103  1
  Fe  Fe59  1  0.295310  0.661551  0.452228  1
  Fe  Fe60  1  0.313386  0.460566  0.414858  1
  Fe  Fe61  1  0.669416  0.027752  0.510624  1
  Fe  Fe62  1  0.365672  0.455577  0.500043  1
  Fe  Fe63  1  0.496492  0.977599  0.477245  1
  Fe  Fe64  1  0.552008  0.700446  0.508854  1
  Fe  Fe65  1  0.561952  0.350543  0.490091  1
  Fe  Fe66  1  0.472403  0.098543  0.525132  1
  Fe  Fe67  1  0.693385  0.872814  0.467336  1
  Fe  Fe68  1  0.354867  0.770959  0.523315  1
  Fe  Fe69  1  0.778915  0.397468  0.485364  1
  Fe  Fe70  1  0.762640  0.665767  0.514987  1
  Fe  Fe71  1  0.186688  0.292277  0.477037  1
  Fe  Fe72  1  0.848170  0.190421  0.533016  1
  Fe  Fe73  1  0.979603  0.712693  0.510260  1
  Fe  Fe74  1  0.069152  0.964692  0.475219  1
  Fe  Fe75  1  0.045063  0.085636  0.523107  1
  Fe  Fe76  1  0.989547  0.362790  0.491498  1
  Fe  Fe77  1  0.175883  0.607658  0.500309  1
  Fe  Fe78  1  0.872139  0.035483  0.489728  1
  Fe  Fe79  1  0.261828  0.132141  0.518866  1
  Fe  Fe80  1  0.279727  0.931094  0.481485  1
  Fe  Fe81  1  0.635611  0.498007  0.577249  1
  Fe  Fe82  1  0.332126  0.926007  0.566744  1
  Fe  Fe83  1  0.462826  0.447982  0.543895  1
  Fe  Fe84  1  0.518392  0.170444  0.575542  1
  Fe  Fe85  1  0.528310  0.821008  0.556741  1
  Fe  Fe86  1  0.438755  0.568983  0.591772  1
  Fe  Fe87  1  0.659667  0.343288  0.533960  1
  Fe  Fe88  1  0.321309  0.240705  0.590055  1
  Fe  Fe89  1  0.745204  0.867966  0.551993  1
  Fe  Fe90  1  0.728671  0.136105  0.581691  1
  Fe  Fe91  1  0.153186  0.762942  0.543683  1
  Fe  Fe92  1  0.814435  0.661168  0.599596  1
  Fe  Fe93  1  0.945959  0.183504  0.576875  1
  Fe  Fe94  1  0.035366  0.435501  0.541876  1
  Fe  Fe95  1  0.011445  0.556212  0.589731  1
  Fe  Fe96  1  0.955980  0.833208  0.558118  1
  Fe  Fe97  1  0.142165  0.078242  0.566938  1
  Fe  Fe98  1  0.838374  0.506073  0.556354  1
  Fe  Fe99  1  0.228169  0.602670  0.585494  1
  Fe  Fe100  1  0.246245  0.401684  0.548124  1
  Fe  Fe101  1  0.601481  0.968971  0.644038  1
  Fe  Fe102  1  0.299262  0.396659  0.633569  1
  Fe  Fe103  1  0.429073  0.918297  0.610590  1
  Fe  Fe104  1  0.484690  0.642596  0.642034  1
  Fe  Fe105  1  0.494486  0.291457  0.623350  1
  Fe  Fe106  1  0.404152  0.040505  0.658768  1
  Fe  Fe107  1  0.626131  0.813594  0.600578  1
  Fe  Fe108  1  0.287945  0.712827  0.656646  1
  Fe  Fe109  1  0.711366  0.338110  0.618582  1
  Fe  Fe110  1  0.695334  0.607910  0.648134  1
  Fe  Fe111  1  0.120248  0.233737  0.610302  1
  Fe  Fe112  1  0.781316  0.132905  0.666284  1
  Fe  Fe113  1  0.912252  0.654903  0.643495  1
  Fe  Fe114  1  0.001723  0.906534  0.608478  1
  Fe  Fe115  1  0.977756  0.027326  0.656218  1
  Fe  Fe116  1  0.922710  0.303787  0.624692  1
  Fe  Fe117  1  0.108539  0.549187  0.633556  1
  Fe  Fe118  1  0.804627  0.977001  0.622925  1
  Fe  Fe119  1  0.194761  0.073293  0.652272  1
  Fe  Fe120  1  0.212851  0.872571  0.614724  1
  Fe  Fe121  1  0.570273  0.443960  0.710664  1
  Fe  Fe122  1  0.267790  0.865807  0.701354  1
  Fe  Fe123  1  0.395074  0.385305  0.677620  1
  Fe  Fe124  1  0.450636  0.112540  0.708648  1
  Fe  Fe125  1  0.462915  0.760909  0.690419  1
  Fe  Fe126  1  0.373675  0.510332  0.724954  1
  Fe  Fe127  1  0.593253  0.283034  0.667275  1
  Fe  Fe128  1  0.248952  0.185152  0.723553  1
  Fe  Fe129  1  0.678676  0.807841  0.685339  1
  Fe  Fe130  1  0.664470  0.081253  0.714727  1
  Fe  Fe131  1  0.088163  0.706452  0.676962  1
  Fe  Fe132  1  0.753901  0.607935  0.733662  1
  Fe  Fe133  1  0.880038  0.129336  0.710345  1
  Fe  Fe134  1  0.967726  0.379306  0.674764  1
  Fe  Fe135  1  0.944074  0.496474  0.723072  1
  Fe  Fe136  1  0.889588  0.773351  0.691142  1
  Fe  Fe137  1  0.073487  0.019622  0.700268  1
  Fe  Fe138  1  0.771420  0.449994  0.689339  1
  Fe  Fe139  1  0.160129  0.544172  0.718261  1
  Fe  Fe140  1  0.180197  0.342742  0.681169  1
  C  C141  1  0.495361  0.765468  0.292594  1
  C  C142  1  0.759139  0.186839  0.281754  1
  C  C143  1  0.764779  0.733029  0.275582  1
  C  C144  1  0.499791  0.315247  0.286213  1
  C  C145  1  0.978740  0.503618  0.325353  1
  C  C146  1  0.246247  0.927790  0.313792  1
  C  C147  1  0.246508  0.472471  0.308433  1
  C  C148  1  0.981002  0.050765  0.318875  1
  C  C149  1  0.461501  0.237061  0.358794  1
  C  C150  1  0.728008  0.659793  0.348304  1
  C  C151  1  0.731204  0.207121  0.342060  1
  C  C152  1  0.464334  0.785263  0.352748  1
  C  C153  1  0.945158  0.973278  0.391696  1
  C  C154  1  0.211439  0.395811  0.381028  1
  C  C155  1  0.213995  0.943432  0.374922  1
  C  C156  1  0.948401  0.520751  0.385774  1
  C  C157  1  0.428028  0.708113  0.425377  1
  C  C158  1  0.694192  0.130885  0.414734  1
  C  C159  1  0.697670  0.678826  0.408672  1
  C  C160  1  0.431203  0.256111  0.419352  1
  C  C161  1  0.911270  0.443259  0.458416  1
  C  C162  1  0.177593  0.866043  0.447645  1
  C  C163  1  0.180688  0.413963  0.441714  1
  C  C164  1  0.914698  0.991125  0.452401  1
  C  C165  1  0.394474  0.178771  0.491999  1
  C  C166  1  0.660573  0.601618  0.481318  1
  C  C167  1  0.663967  0.149507  0.475301  1
  C  C168  1  0.397587  0.726719  0.485993  1
  C  C169  1  0.877588  0.913729  0.525051  1
  C  C170  1  0.143969  0.336517  0.514359  1
  C  C171  1  0.147081  0.884465  0.508353  1
  C  C172  1  0.880983  0.461618  0.519033  1
  C  C173  1  0.360867  0.649272  0.558638  1
  C  C174  1  0.626857  0.072110  0.547950  1
  C  C175  1  0.630285  0.619977  0.541936  1
  C  C176  1  0.363963  0.197193  0.552707  1
  C  C177  1  0.843885  0.384409  0.591680  1
  C  C178  1  0.110353  0.807124  0.581000  1
  C  C179  1  0.113527  0.355123  0.574974  1
  C  C180  1  0.847363  0.932351  0.585618  1
  C  C181  1  0.327560  0.119803  0.625430  1
  C  C182  1  0.593155  0.542484  0.614578  1
  C  C183  1  0.596397  0.089958  0.608656  1
  C  C184  1  0.330116  0.667425  0.619324  1
  C  C185  1  0.810351  0.856115  0.658292  1
  C  C186  1  0.077221  0.277973  0.647604  1
  C  C187  1  0.080054  0.826174  0.641558  1
  C  C188  1  0.813547  0.403442  0.652048  1
  C  C189  1  0.295047  0.590764  0.691919  1
  C  C190  1  0.560553  0.012471  0.681477  1
  C  C191  1  0.562815  0.559617  0.674999  1
  C  C192  1  0.295309  0.135446  0.686560  1
  C  C193  1  0.776776  0.330206  0.724770  1
  C  C194  1  0.041764  0.747988  0.714138  1
  C  C195  1  0.046195  0.297767  0.707758  1
  C  C196  1  0.782416  0.876397  0.718598  1
