# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.60991706
_cell_length_b   10.46510328
_cell_length_c   49.29284360
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.97789593
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe140 C56'
_cell_volume   3396.66672053
_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  0.253671  0.232569  0.272593  1
  Fe  Fe2  1  0.506979  0.704188  0.306703  1
  Fe  Fe3  1  0.249776  0.022812  0.293259  1
  Fe  Fe4  1  0.515893  0.504134  0.327281  1
  Fe  Fe5  1  0.916255  0.348875  0.275697  1
  Fe  Fe6  1  0.183986  0.826786  0.309104  1
  Fe  Fe7  1  0.564417  0.330200  0.293207  1
  Fe  Fe8  1  0.829787  0.814182  0.327152  1
  Fe  Fe9  1  0.927291  0.912651  0.273457  1
  Fe  Fe10  1  0.192949  0.397998  0.307039  1
  Fe  Fe11  1  0.086822  0.200855  0.316538  1
  Fe  Fe12  1  0.826820  0.711810  0.282849  1
  Fe  Fe13  1  0.612951  0.115743  0.298503  1
  Fe  Fe14  1  0.874558  0.597607  0.331591  1
  Fe  Fe15  1  0.933298  0.012160  0.316963  1
  Fe  Fe16  1  0.673071  0.524086  0.283306  1
  Fe  Fe17  1  0.577004  0.901550  0.292075  1
  Fe  Fe18  1  0.840550  0.387062  0.325529  1
  Fe  Fe19  1  0.907255  0.135995  0.270847  1
  Fe  Fe20  1  0.146867  0.615382  0.300865  1
  Fe  Fe21  1  0.773254  0.190358  0.339448  1
  Fe  Fe22  1  0.035772  0.673849  0.373110  1
  Fe  Fe23  1  0.779703  0.987557  0.360294  1
  Fe  Fe24  1  0.044562  0.471213  0.393849  1
  Fe  Fe25  1  0.446656  0.307290  0.341723  1
  Fe  Fe26  1  0.709789  0.791028  0.375026  1
  Fe  Fe27  1  0.094544  0.297872  0.360424  1
  Fe  Fe28  1  0.358829  0.781214  0.393705  1
  Fe  Fe29  1  0.454991  0.880053  0.339848  1
  Fe  Fe30  1  0.721194  0.363268  0.373285  1
  Fe  Fe31  1  0.615813  0.166600  0.383127  1
  Fe  Fe32  1  0.351059  0.683150  0.349862  1
  Fe  Fe33  1  0.140452  0.080567  0.364626  1
  Fe  Fe34  1  0.404451  0.564361  0.398217  1
  Fe  Fe35  1  0.463920  0.977285  0.383571  1
  Fe  Fe36  1  0.199673  0.494382  0.350572  1
  Fe  Fe37  1  0.107645  0.870976  0.358398  1
  Fe  Fe38  1  0.370664  0.353138  0.392054  1
  Fe  Fe39  1  0.410077  0.096238  0.335445  1
  Fe  Fe40  1  0.675355  0.580139  0.368918  1
  Fe  Fe41  1  0.300189  0.156509  0.406446  1
  Fe  Fe42  1  0.564470  0.640097  0.439824  1
  Fe  Fe43  1  0.308458  0.954294  0.426992  1
  Fe  Fe44  1  0.573232  0.437721  0.460427  1
  Fe  Fe45  1  0.972566  0.273836  0.408095  1
  Fe  Fe46  1  0.237679  0.757594  0.441584  1
  Fe  Fe47  1  0.623414  0.264167  0.426934  1
  Fe  Fe48  1  0.887966  0.747655  0.460334  1
  Fe  Fe49  1  0.985232  0.846894  0.406485  1
  Fe  Fe50  1  0.250200  0.329829  0.439909  1
  Fe  Fe51  1  0.144858  0.133442  0.449795  1
  Fe  Fe52  1  0.880248  0.649842  0.416486  1
  Fe  Fe53  1  0.669266  0.047411  0.431435  1
  Fe  Fe54  1  0.933669  0.530826  0.464808  1
  Fe  Fe55  1  0.993147  0.944203  0.450316  1
  Fe  Fe56  1  0.728581  0.461106  0.417164  1
  Fe  Fe57  1  0.635884  0.837031  0.425240  1
  Fe  Fe58  1  0.899824  0.319907  0.458683  1
  Fe  Fe59  1  0.939698  0.063622  0.401966  1
  Fe  Fe60  1  0.203809  0.546935  0.435368  1
  Fe  Fe61  1  0.829503  0.123201  0.473105  1
  Fe  Fe62  1  0.093807  0.606704  0.506476  1
  Fe  Fe63  1  0.837961  0.920901  0.493706  1
  Fe  Fe64  1  0.102265  0.404403  0.527077  1
  Fe  Fe65  1  0.502506  0.240820  0.474865  1
  Fe  Fe66  1  0.766838  0.724070  0.508262  1
  Fe  Fe67  1  0.152599  0.230967  0.493641  1
  Fe  Fe68  1  0.417271  0.714243  0.527016  1
  Fe  Fe69  1  0.514497  0.813361  0.473166  1
  Fe  Fe70  1  0.779169  0.296638  0.506540  1
  Fe  Fe71  1  0.674050  0.099963  0.516439  1
  Fe  Fe72  1  0.409365  0.616726  0.483160  1
  Fe  Fe73  1  0.198458  0.014074  0.498111  1
  Fe  Fe74  1  0.462822  0.497502  0.531466  1
  Fe  Fe75  1  0.522403  0.910878  0.517022  1
  Fe  Fe76  1  0.257719  0.427642  0.483743  1
  Fe  Fe77  1  0.164930  0.803534  0.491920  1
  Fe  Fe78  1  0.429262  0.286785  0.525317  1
  Fe  Fe79  1  0.468946  0.030102  0.468716  1
  Fe  Fe80  1  0.733310  0.513531  0.502071  1
  Fe  Fe81  1  0.358536  0.089884  0.539755  1
  Fe  Fe82  1  0.623310  0.573311  0.573190  1
  Fe  Fe83  1  0.367298  0.887508  0.560358  1
  Fe  Fe84  1  0.631579  0.371096  0.593736  1
  Fe  Fe85  1  0.031944  0.207698  0.541499  1
  Fe  Fe86  1  0.295884  0.690574  0.574941  1
  Fe  Fe87  1  0.681568  0.197776  0.560272  1
  Fe  Fe88  1  0.946536  0.680710  0.593697  1
  Fe  Fe89  1  0.043802  0.779949  0.539848  1
  Fe  Fe90  1  0.308354  0.263437  0.573247  1
  Fe  Fe91  1  0.203187  0.066499  0.583017  1
  Fe  Fe92  1  0.938621  0.583401  0.549866  1
  Fe  Fe93  1  0.727959  0.980669  0.564814  1
  Fe  Fe94  1  0.992070  0.463982  0.598215  1
  Fe  Fe95  1  0.051520  0.877763  0.583696  1
  Fe  Fe96  1  0.786910  0.394163  0.550387  1
  Fe  Fe97  1  0.694089  0.770010  0.558598  1
  Fe  Fe98  1  0.959202  0.253769  0.592087  1
  Fe  Fe99  1  0.998099  0.996779  0.535374  1
  Fe  Fe100  1  0.262502  0.480194  0.568747  1
  Fe  Fe101  1  0.887206  0.056392  0.606333  1
  Fe  Fe102  1  0.152065  0.540048  0.639888  1
  Fe  Fe103  1  0.895996  0.853756  0.627071  1
  Fe  Fe104  1  0.158514  0.337247  0.660734  1
  Fe  Fe105  1  0.561104  0.174466  0.608128  1
  Fe  Fe106  1  0.824123  0.656629  0.641784  1
  Fe  Fe107  1  0.210574  0.164336  0.626896  1
  Fe  Fe108  1  0.476777  0.647551  0.660333  1
  Fe  Fe109  1  0.572939  0.746390  0.606477  1
  Fe  Fe110  1  0.837224  0.229733  0.639758  1
  Fe  Fe111  1  0.732095  0.033222  0.649610  1
  Fe  Fe112  1  0.467848  0.550320  0.616611  1
  Fe  Fe113  1  0.256413  0.947465  0.631263  1
  Fe  Fe114  1  0.521692  0.431367  0.664737  1
  Fe  Fe115  1  0.580709  0.844454  0.650319  1
  Fe  Fe116  1  0.315955  0.361005  0.617054  1
  Fe  Fe117  1  0.221979  0.736577  0.625156  1
  Fe  Fe118  1  0.485112  0.220314  0.658459  1
  Fe  Fe119  1  0.527317  0.963244  0.601965  1
  Fe  Fe120  1  0.791317  0.447038  0.635555  1
  Fe  Fe121  1  0.415875  0.023471  0.672901  1
  Fe  Fe122  1  0.681993  0.504793  0.706922  1
  Fe  Fe123  1  0.424789  0.823417  0.693478  1
  Fe  Fe124  1  0.678097  0.295036  0.727589  1
  Fe  Fe125  1  0.091218  0.140542  0.674653  1
  Fe  Fe126  1  0.354764  0.626055  0.708107  1
  Fe  Fe127  1  0.738819  0.129606  0.693143  1
  Fe  Fe128  1  0.004478  0.614954  0.726725  1
  Fe  Fe129  1  0.101981  0.713423  0.673029  1
  Fe  Fe130  1  0.367351  0.197405  0.706975  1
  Fe  Fe131  1  0.258697  0.003519  0.716875  1
  Fe  Fe132  1  0.998470  0.515445  0.683219  1
  Fe  Fe133  1  0.784901  0.912222  0.699317  1
  Fe  Fe134  1  0.024513  0.391609  0.729335  1
  Fe  Fe135  1  0.104948  0.815795  0.717333  1
  Fe  Fe136  1  0.844946  0.326750  0.683644  1
  Fe  Fe137  1  0.747782  0.700819  0.691078  1
  Fe  Fe138  1  0.015514  0.178730  0.724484  1
  Fe  Fe139  1  0.057211  0.929998  0.668591  1
  Fe  Fe140  1  0.318817  0.411861  0.701679  1
  C  C141  1  0.817211  0.234625  0.302165  1
  C  C142  1  0.554500  0.746416  0.269442  1
  C  C143  1  0.657207  0.981404  0.325017  1
  C  C144  1  0.395908  0.497770  0.291862  1
  C  C145  1  0.364042  0.229374  0.308684  1
  C  C146  1  0.098401  0.754713  0.275588  1
  C  C147  1  0.205392  0.978528  0.330529  1
  C  C148  1  0.941971  0.496253  0.298273  1
  C  C149  1  0.344890  0.198811  0.369097  1
  C  C150  1  0.080401  0.715093  0.335706  1
  C  C151  1  0.186985  0.948593  0.391640  1
  C  C152  1  0.922634  0.465496  0.358537  1
  C  C153  1  0.892447  0.195554  0.374961  1
  C  C154  1  0.628083  0.712514  0.342013  1
  C  C155  1  0.734838  0.945554  0.397655  1
  C  C156  1  0.470562  0.462023  0.364617  1
  C  C157  1  0.873914  0.165616  0.435756  1
  C  C158  1  0.609264  0.682495  0.402487  1
  C  C159  1  0.716335  0.915135  0.458369  1
  C  C160  1  0.451661  0.431824  0.425090  1
  C  C161  1  0.421788  0.162380  0.441785  1
  C  C162  1  0.156915  0.679441  0.408478  1
  C  C163  1  0.264108  0.912059  0.464353  1
  C  C164  1  0.999570  0.428365  0.431153  1
  C  C165  1  0.403099  0.132301  0.502412  1
  C  C166  1  0.138411  0.648973  0.469125  1
  C  C167  1  0.245551  0.881729  0.525030  1
  C  C168  1  0.980834  0.398504  0.491729  1
  C  C169  1  0.950934  0.129101  0.508453  1
  C  C170  1  0.686217  0.645876  0.475152  1
  C  C171  1  0.793357  0.878631  0.531057  1
  C  C172  1  0.528669  0.395304  0.497769  1
  C  C173  1  0.932198  0.099240  0.569029  1
  C  C174  1  0.667660  0.615546  0.535829  1
  C  C175  1  0.774854  0.848164  0.591704  1
  C  C176  1  0.509980  0.365225  0.558396  1
  C  C177  1  0.480107  0.095781  0.575092  1
  C  C178  1  0.215433  0.612469  0.541813  1
  C  C179  1  0.322505  0.845110  0.597695  1
  C  C180  1  0.057854  0.361988  0.564426  1
  C  C181  1  0.461207  0.065582  0.635565  1
  C  C182  1  0.196930  0.582051  0.602527  1
  C  C183  1  0.303685  0.815090  0.658169  1
  C  C184  1  0.039321  0.332051  0.625221  1
  C  C185  1  0.009134  0.062109  0.641645  1
  C  C186  1  0.744783  0.579012  0.608541  1
  C  C187  1  0.851367  0.812512  0.664476  1
  C  C188  1  0.586878  0.328794  0.631084  1
  C  C189  1  0.989797  0.031352  0.701909  1
  C  C190  1  0.726376  0.549077  0.669653  1
  C  C191  1  0.833367  0.772892  0.724594  1
  C  C192  1  0.567726  0.298231  0.691497  1
  C  C193  1  0.535860  0.029834  0.708320  1
  C  C194  1  0.274561  0.546201  0.675165  1
  C  C195  1  0.377268  0.781189  0.730740  1
  C  C196  1  0.114557  0.292979  0.698017  1
