# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74193324
_cell_length_b   10.17637659
_cell_length_c   48.12735764
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.89236865
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe100 C40'
_cell_volume   2714.98654769
_cell_formula_units_Z   20
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  0.436198  0.791110  0.357364  1
  Fe  Fe2  1  0.143019  0.202522  0.315085  1
  Fe  Fe3  1  0.429710  0.199764  0.350859  1
  Fe  Fe4  1  0.135614  0.612988  0.308489  1
  Fe  Fe5  1  0.182948  0.976356  0.293389  1
  Fe  Fe6  1  0.478457  0.576019  0.335929  1
  Fe  Fe7  1  0.424836  0.744090  0.296416  1
  Fe  Fe8  1  0.718936  0.329688  0.338125  1
  Fe  Fe9  1  0.860741  0.072386  0.328846  1
  Fe  Fe10  1  0.150099  0.657687  0.369706  1
  Fe  Fe11  1  0.231422  0.023034  0.349370  1
  Fe  Fe12  1  0.934234  0.436950  0.307248  1
  Fe  Fe13  1  0.731265  0.797851  0.320416  1
  Fe  Fe14  1  0.020569  0.385641  0.361750  1
  Fe  Fe15  1  0.636754  0.965538  0.359140  1
  Fe  Fe16  1  0.360817  0.382627  0.316698  1
  Fe  Fe17  1  0.097831  0.828179  0.331182  1
  Fe  Fe18  1  0.382462  0.416464  0.372411  1
  Fe  Fe19  1  0.553997  0.019124  0.304881  1
  Fe  Fe20  1  0.846540  0.603502  0.346227  1
  Fe  Fe21  1  0.012447  0.963026  0.440730  1
  Fe  Fe22  1  0.724523  0.376187  0.398999  1
  Fe  Fe23  1  0.006512  0.371790  0.434064  1
  Fe  Fe24  1  0.717617  0.785766  0.392542  1
  Fe  Fe25  1  0.771508  0.160802  0.376990  1
  Fe  Fe26  1  0.057345  0.747206  0.418801  1
  Fe  Fe27  1  0.006225  0.916738  0.379685  1
  Fe  Fe28  1  0.293731  0.503141  0.421357  1
  Fe  Fe29  1  0.436723  0.246087  0.411889  1
  Fe  Fe30  1  0.724611  0.831928  0.453459  1
  Fe  Fe31  1  0.805270  0.196037  0.432579  1
  Fe  Fe32  1  0.518311  0.609528  0.390920  1
  Fe  Fe33  1  0.307996  0.971936  0.403534  1
  Fe  Fe34  1  0.595750  0.558266  0.445199  1
  Fe  Fe35  1  0.213122  0.139134  0.442252  1
  Fe  Fe36  1  0.925726  0.552860  0.400530  1
  Fe  Fe37  1  0.673441  0.001288  0.414432  1
  Fe  Fe38  1  0.961286  0.587695  0.456100  1
  Fe  Fe39  1  0.135514  0.190305  0.387971  1
  Fe  Fe40  1  0.422968  0.776629  0.429573  1
  Fe  Fe41  1  0.587779  0.136049  0.524066  1
  Fe  Fe42  1  0.300105  0.549583  0.482409  1
  Fe  Fe43  1  0.581602  0.544978  0.517473  1
  Fe  Fe44  1  0.293928  0.958511  0.475817  1
  Fe  Fe45  1  0.345359  0.333730  0.460428  1
  Fe  Fe46  1  0.633142  0.920170  0.502142  1
  Fe  Fe47  1  0.581640  0.089566  0.463057  1
  Fe  Fe48  1  0.869272  0.676080  0.504739  1
  Fe  Fe49  1  0.012434  0.418480  0.495144  1
  Fe  Fe50  1  0.300067  0.004994  0.536826  1
  Fe  Fe51  1  0.380876  0.369030  0.515927  1
  Fe  Fe52  1  0.093218  0.782472  0.474251  1
  Fe  Fe53  1  0.883349  0.144897  0.486884  1
  Fe  Fe54  1  0.171136  0.731344  0.528596  1
  Fe  Fe55  1  0.788488  0.312088  0.525632  1
  Fe  Fe56  1  0.500831  0.725530  0.483956  1
  Fe  Fe57  1  0.248565  0.174390  0.497740  1
  Fe  Fe58  1  0.536347  0.760830  0.539455  1
  Fe  Fe59  1  0.710571  0.363216  0.471286  1
  Fe  Fe60  1  0.998358  0.949663  0.512998  1
  Fe  Fe61  1  0.164089  0.308794  0.607341  1
  Fe  Fe62  1  0.875195  0.722771  0.565819  1
  Fe  Fe63  1  0.157184  0.718373  0.600884  1
  Fe  Fe64  1  0.869259  0.131534  0.559152  1
  Fe  Fe65  1  0.920420  0.506865  0.543783  1
  Fe  Fe66  1  0.208266  0.093272  0.585451  1
  Fe  Fe67  1  0.157095  0.262632  0.546424  1
  Fe  Fe68  1  0.444984  0.848473  0.587993  1
  Fe  Fe69  1  0.587976  0.591419  0.578526  1
  Fe  Fe70  1  0.875482  0.177822  0.620198  1
  Fe  Fe71  1  0.955981  0.541700  0.599353  1
  Fe  Fe72  1  0.668585  0.955426  0.557631  1
  Fe  Fe73  1  0.458739  0.317931  0.570309  1
  Fe  Fe74  1  0.746193  0.904255  0.611911  1
  Fe  Fe75  1  0.363396  0.485033  0.608963  1
  Fe  Fe76  1  0.076436  0.898523  0.567304  1
  Fe  Fe77  1  0.824362  0.347354  0.581082  1
  Fe  Fe78  1  0.110198  0.933758  0.622892  1
  Fe  Fe79  1  0.285957  0.536294  0.554683  1
  Fe  Fe80  1  0.573711  0.122624  0.596348  1
  Fe  Fe81  1  0.746093  0.481572  0.691393  1
  Fe  Fe82  1  0.451997  0.894796  0.649024  1
  Fe  Fe83  1  0.738687  0.892038  0.684798  1
  Fe  Fe84  1  0.445509  0.303450  0.642518  1
  Fe  Fe85  1  0.499244  0.678096  0.627471  1
  Fe  Fe86  1  0.783876  0.266381  0.668700  1
  Fe  Fe87  1  0.731608  0.436873  0.630176  1
  Fe  Fe88  1  0.020966  0.022174  0.671037  1
  Fe  Fe89  1  0.162771  0.764873  0.661758  1
  Fe  Fe90  1  0.456871  0.350470  0.703467  1
  Fe  Fe91  1  0.520890  0.711934  0.683184  1
  Fe  Fe92  1  0.244953  0.129022  0.640743  1
  Fe  Fe93  1  0.035166  0.491059  0.653656  1
  Fe  Fe94  1  0.327710  0.075436  0.695002  1
  Fe  Fe95  1  0.947473  0.657610  0.692635  1
  Fe  Fe96  1  0.650284  0.071526  0.650513  1
  Fe  Fe97  1  0.403250  0.518541  0.663954  1
  Fe  Fe98  1  0.698759  0.118204  0.706494  1
  Fe  Fe99  1  0.861138  0.708919  0.638132  1
  Fe  Fe100  1  0.150442  0.296709  0.679466  1
  C  C101  1  0.393767  0.889370  0.322816  1
  C  C102  1  0.682304  0.475234  0.364560  1
  C  C103  1  0.867857  0.791077  0.357031  1
  C  C104  1  0.579865  0.204113  0.315317  1
  C  C105  1  0.001781  0.198013  0.351178  1
  C  C106  1  0.706553  0.612330  0.309741  1
  C  C107  1  0.891297  0.926796  0.302523  1
  C  C108  1  0.184344  0.513681  0.342927  1
  C  C109  1  0.969758  0.061749  0.406245  1
  C  C110  1  0.257565  0.648177  0.447908  1
  C  C111  1  0.443149  0.964284  0.440254  1
  C  C112  1  0.155415  0.377916  0.398490  1
  C  C113  1  0.575270  0.370904  0.434574  1
  C  C114  1  0.287165  0.783996  0.392891  1
  C  C115  1  0.474012  0.101013  0.385340  1
  C  C116  1  0.761186  0.686597  0.426971  1
  C  C117  1  0.545124  0.234749  0.489578  1
  C  C118  1  0.832888  0.821135  0.531288  1
  C  C119  1  0.018618  0.137279  0.523597  1
  C  C120  1  0.730925  0.550711  0.481915  1
  C  C121  1  0.150782  0.543849  0.517968  1
  C  C122  1  0.863088  0.957281  0.476286  1
  C  C123  1  0.048819  0.273425  0.468595  1
  C  C124  1  0.336583  0.859811  0.510305  1
  C  C125  1  0.120520  0.407963  0.572912  1
  C  C126  1  0.407695  0.993547  0.614543  1
  C  C127  1  0.594541  0.310564  0.606992  1
  C  C128  1  0.306437  0.723656  0.565309  1
  C  C129  1  0.726292  0.716645  0.601392  1
  C  C130  1  0.438558  0.130277  0.559629  1
  C  C131  1  0.624142  0.446384  0.551974  1
  C  C132  1  0.911949  0.032811  0.593638  1
  C  C133  1  0.697363  0.580880  0.656955  1
  C  C134  1  0.990410  0.167764  0.697360  1
  C  C135  1  0.175154  0.482230  0.690141  1
  C  C136  1  0.879926  0.896547  0.648704  1
  C  C137  1  0.301841  0.890447  0.684566  1
  C  C138  1  0.013849  0.303483  0.642851  1
  C  C139  1  0.199403  0.619326  0.635322  1
  C  C140  1  0.487940  0.205190  0.677067  1
