# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74840424
_cell_length_b   13.58876369
_cell_length_c   47.87140536
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.19106446
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe150 C60'
_cell_volume   3733.61480669
_cell_formula_units_Z   30
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  0.022330  0.724962  0.320578  1
  Fe  Fe2  1  0.327568  0.424105  0.350806  1
  Fe  Fe3  1  0.726573  0.027338  0.289254  1
  Fe  Fe4  1  0.432321  0.939478  0.315054  1
  Fe  Fe5  1  0.732595  0.637501  0.345660  1
  Fe  Fe6  1  0.129531  0.243056  0.284300  1
  Fe  Fe7  1  0.100348  0.888654  0.338553  1
  Fe  Fe8  1  0.499586  0.496120  0.278388  1
  Fe  Fe9  1  0.801644  0.194506  0.308701  1
  Fe  Fe10  1  0.084061  0.908322  0.286837  1
  Fe  Fe11  1  0.383602  0.607760  0.317164  1
  Fe  Fe12  1  0.685949  0.303351  0.347110  1
  Fe  Fe13  1  0.375864  0.756720  0.349058  1
  Fe  Fe14  1  0.769524  0.365025  0.288777  1
  Fe  Fe15  1  0.071722  0.061154  0.318617  1
  Fe  Fe16  1  0.115290  0.634032  0.278832  1
  Fe  Fe17  1  0.419731  0.333396  0.309564  1
  Fe  Fe18  1  0.719233  0.028645  0.340094  1
  Fe  Fe19  1  0.741919  0.819618  0.294460  1
  Fe  Fe20  1  0.043873  0.516784  0.324867  1
  Fe  Fe21  1  0.345746  0.213445  0.354827  1
  Fe  Fe22  1  0.338794  0.031527  0.355844  1
  Fe  Fe23  1  0.724162  0.638278  0.294034  1
  Fe  Fe24  1  0.040862  0.335553  0.326070  1
  Fe  Fe25  1  0.352974  0.775751  0.297272  1
  Fe  Fe26  1  0.657826  0.475138  0.327544  1
  Fe  Fe27  1  0.962826  0.171352  0.357017  1
  Fe  Fe28  1  0.714196  0.847734  0.341199  1
  Fe  Fe29  1  0.108860  0.453334  0.281194  1
  Fe  Fe30  1  0.413646  0.149990  0.310348  1
  Fe  Fe31  1  0.932443  0.817942  0.411330  1
  Fe  Fe32  1  0.234132  0.514987  0.441735  1
  Fe  Fe33  1  0.630026  0.120909  0.380958  1
  Fe  Fe34  1  0.336598  0.031271  0.405942  1
  Fe  Fe35  1  0.639211  0.728389  0.436367  1
  Fe  Fe36  1  0.034635  0.333631  0.375620  1
  Fe  Fe37  1  0.006440  0.980545  0.429397  1
  Fe  Fe38  1  0.403038  0.586516  0.369026  1
  Fe  Fe39  1  0.704126  0.283076  0.399040  1
  Fe  Fe40  1  0.987142  1.001089  0.377188  1
  Fe  Fe41  1  0.289872  0.697893  0.407732  1
  Fe  Fe42  1  0.591246  0.395030  0.437813  1
  Fe  Fe43  1  0.282201  0.848018  0.440061  1
  Fe  Fe44  1  0.677044  0.453964  0.379637  1
  Fe  Fe45  1  0.979869  0.150710  0.409668  1
  Fe  Fe46  1  0.022427  0.726095  0.370751  1
  Fe  Fe47  1  0.324138  0.422924  0.400677  1
  Fe  Fe48  1  0.627165  0.120091  0.430999  1
  Fe  Fe49  1  0.648273  0.910252  0.385167  1
  Fe  Fe50  1  0.951041  0.607328  0.415599  1
  Fe  Fe51  1  0.252898  0.304086  0.445723  1
  Fe  Fe52  1  0.246608  0.123002  0.446761  1
  Fe  Fe53  1  0.642178  0.728883  0.386290  1
  Fe  Fe54  1  0.944614  0.425701  0.416710  1
  Fe  Fe55  1  0.262670  0.868440  0.387869  1
  Fe  Fe56  1  0.564387  0.565568  0.418341  1
  Fe  Fe57  1  0.867089  0.262455  0.448448  1
  Fe  Fe58  1  0.620741  0.938967  0.432086  1
  Fe  Fe59  1  0.016139  0.544116  0.371876  1
  Fe  Fe60  1  0.318113  0.241652  0.401778  1
  Fe  Fe61  1  0.839164  0.909054  0.502188  1
  Fe  Fe62  1  0.140986  0.606273  0.532516  1
  Fe  Fe63  1  0.536671  0.211756  0.471836  1
  Fe  Fe64  1  0.243321  0.122028  0.496877  1
  Fe  Fe65  1  0.545814  0.819327  0.527229  1
  Fe  Fe66  1  0.941498  0.424809  0.466549  1
  Fe  Fe67  1  0.912864  0.071503  0.520331  1
  Fe  Fe68  1  0.308987  0.677638  0.459749  1
  Fe  Fe69  1  0.611333  0.374272  0.489960  1
  Fe  Fe70  1  0.893641  0.092195  0.468100  1
  Fe  Fe71  1  0.196038  0.789124  0.498485  1
  Fe  Fe72  1  0.498264  0.486043  0.528673  1
  Fe  Fe73  1  0.188844  0.938888  0.530965  1
  Fe  Fe74  1  0.584220  0.545040  0.470392  1
  Fe  Fe75  1  0.886446  0.241958  0.500581  1
  Fe  Fe76  1  0.928952  0.817179  0.461412  1
  Fe  Fe77  1  0.231121  0.514169  0.491548  1
  Fe  Fe78  1  0.533452  0.211058  0.521897  1
  Fe  Fe79  1  0.555099  1.001216  0.476046  1
  Fe  Fe80  1  0.857518  0.698481  0.506360  1
  Fe  Fe81  1  0.159674  0.395231  0.536600  1
  Fe  Fe82  1  0.153533  0.213904  0.537653  1
  Fe  Fe83  1  0.549033  0.820025  0.477168  1
  Fe  Fe84  1  0.851364  0.516914  0.507517  1
  Fe  Fe85  1  0.169621  0.959579  0.478735  1
  Fe  Fe86  1  0.471151  0.656811  0.509105  1
  Fe  Fe87  1  0.773498  0.353444  0.539317  1
  Fe  Fe88  1  0.527386  0.029867  0.523019  1
  Fe  Fe89  1  0.922811  0.635852  0.462465  1
  Fe  Fe90  1  0.224967  0.332601  0.492705  1
  Fe  Fe91  1  0.745886  0.999812  0.593124  1
  Fe  Fe92  1  0.047850  0.697452  0.623446  1
  Fe  Fe93  1  0.443274  0.302693  0.562698  1
  Fe  Fe94  1  0.150041  0.213141  0.587736  1
  Fe  Fe95  1  0.452458  0.910174  0.618107  1
  Fe  Fe96  1  0.848353  0.516096  0.557330  1
  Fe  Fe97  1  0.819815  0.162643  0.611196  1
  Fe  Fe98  1  0.215396  0.768628  0.550617  1
  Fe  Fe99  1  0.518098  0.465515  0.580725  1
  Fe  Fe100  1  0.800284  0.183065  0.559005  1
  Fe  Fe101  1  0.102616  0.880373  0.589398  1
  Fe  Fe102  1  0.405441  0.577119  0.619428  1
  Fe  Fe103  1  0.095343  0.029994  0.621877  1
  Fe  Fe104  1  0.491239  0.636053  0.561252  1
  Fe  Fe105  1  0.792612  0.333190  0.591333  1
  Fe  Fe106  1  0.835877  0.908081  0.552305  1
  Fe  Fe107  1  0.137871  0.605382  0.582355  1
  Fe  Fe108  1  0.440307  0.302200  0.612775  1
  Fe  Fe109  1  0.461743  0.092116  0.566979  1
  Fe  Fe110  1  0.764372  0.789431  0.597288  1
  Fe  Fe111  1  0.066346  0.486966  0.627189  1
  Fe  Fe112  1  0.060057  0.304987  0.628314  1
  Fe  Fe113  1  0.455320  0.910991  0.568066  1
  Fe  Fe114  1  0.758346  0.608159  0.598388  1
  Fe  Fe115  1  0.076045  0.050538  0.569668  1
  Fe  Fe116  1  0.378359  0.748007  0.600026  1
  Fe  Fe117  1  0.679447  0.444567  0.630039  1
  Fe  Fe118  1  0.434212  0.120831  0.613898  1
  Fe  Fe119  1  0.829587  0.726997  0.553342  1
  Fe  Fe120  1  0.131444  0.423754  0.583466  1
  Fe  Fe121  1  0.650164  0.091605  0.684011  1
  Fe  Fe122  1  0.952954  0.788027  0.714765  1
  Fe  Fe123  1  0.349889  0.393581  0.653406  1
  Fe  Fe124  1  0.060155  0.306121  0.678488  1
  Fe  Fe125  1  0.355912  0.003744  0.709811  1
  Fe  Fe126  1  0.754916  0.606978  0.648259  1
  Fe  Fe127  1  0.729511  0.255332  0.701793  1
  Fe  Fe128  1  0.119659  0.859731  0.642048  1
  Fe  Fe129  1  0.424659  0.555945  0.671521  1
  Fe  Fe130  1  0.706621  0.274363  0.650007  1
  Fe  Fe131  1  0.010762  0.969929  0.680449  1
  Fe  Fe132  1  0.312961  0.666058  0.710289  1
  Fe  Fe133  1  0.998424  0.122761  0.712228  1
  Fe  Fe134  1  0.396536  0.727732  0.651956  1
  Fe  Fe135  1  0.698882  0.423322  0.681901  1
  Fe  Fe136  1  0.743691  0.999556  0.643221  1
  Fe  Fe137  1  0.041623  0.695529  0.672995  1
  Fe  Fe138  1  0.358323  0.392805  0.705031  1
  Fe  Fe139  1  0.368289  0.183349  0.657866  1
  Fe  Fe140  1  0.668839  0.881093  0.688717  1
  Fe  Fe141  1  0.973625  0.577749  0.717871  1
  Fe  Fe142  1  0.967194  0.397051  0.720234  1
  Fe  Fe143  1  0.363252  0.002438  0.658972  1
  Fe  Fe144  1  0.662754  0.697687  0.689502  1
  Fe  Fe145  1  0.982136  0.142429  0.660512  1
  Fe  Fe146  1  0.280841  0.836577  0.690364  1
  Fe  Fe147  1  0.582899  0.534963  0.720677  1
  Fe  Fe148  1  0.340566  0.211465  0.704605  1
  Fe  Fe149  1  0.736738  0.817638  0.644239  1
  Fe  Fe150  1  0.038611  0.514299  0.674198  1
  C  C151  1  0.030106  0.768286  0.282361  1
  C  C152  1  0.334171  0.467678  0.312603  1
  C  C153  1  0.635020  0.163220  0.342640  1
  C  C154  1  0.595257  0.727342  0.320331  1
  C  C155  1  0.896456  0.425163  0.350871  1
  C  C156  1  0.291549  0.029745  0.290160  1
  C  C157  1  0.862561  0.939067  0.315184  1
  C  C158  1  0.162710  0.635736  0.345818  1
  C  C159  1  0.563858  0.243020  0.284975  1
  C  C160  1  0.423754  0.897017  0.353364  1
  C  C161  1  0.820964  0.505141  0.293265  1
  C  C162  1  0.125838  0.201295  0.322694  1
  C  C163  1  0.938596  0.860762  0.373050  1
  C  C164  1  0.241049  0.557620  0.403448  1
  C  C165  1  0.543260  0.254714  0.433570  1
  C  C166  1  0.501314  0.818924  0.411285  1
  C  C167  1  0.803542  0.515895  0.441646  1
  C  C168  1  0.198689  0.121773  0.380845  1
  C  C169  1  0.768064  0.030186  0.405965  1
  C  C170  1  0.070076  0.727286  0.436400  1
  C  C171  1  0.465517  0.332971  0.375691  1
  C  C172  1  0.330338  0.988358  0.444215  1
  C  C173  1  0.726222  0.594234  0.383895  1
  C  C174  1  0.027691  0.291020  0.413911  1
  C  C175  1  0.845527  0.951872  0.463909  1
  C  C176  1  0.147615  0.648832  0.494219  1
  C  C177  1  0.449879  0.345734  0.524440  1
  C  C178  1  0.407988  0.909972  0.502176  1
  C  C179  1  0.710128  0.607123  0.532435  1
  C  C180  1  0.105741  0.212780  0.471833  1
  C  C181  1  0.674497  0.121111  0.496889  1
  C  C182  1  0.976744  0.818303  0.527232  1
  C  C183  1  0.372357  0.423959  0.466630  1
  C  C184  1  0.236958  0.079211  0.535157  1
  C  C185  1  0.632605  0.685349  0.474625  1
  C  C186  1  0.934869  0.382251  0.504846  1
  C  C187  1  0.752146  0.042725  0.554850  1
  C  C188  1  0.054794  0.740063  0.585154  1
  C  C189  1  0.356263  0.436848  0.615170  1
  C  C190  1  0.314421  1.000897  0.593100  1
  C  C191  1  0.616968  0.698111  0.623374  1
  C  C192  1  0.012409  0.303796  0.562665  1
  C  C193  1  0.581171  0.212158  0.587780  1
  C  C194  1  0.883796  0.909310  0.618220  1
  C  C195  1  0.278942  0.515188  0.557420  1
  C  C196  1  0.143888  0.170321  0.626016  1
  C  C197  1  0.539224  0.776369  0.565495  1
  C  C198  1  0.841436  0.473463  0.595617  1
  C  C199  1  0.658731  0.134065  0.645701  1
  C  C200  1  0.956646  0.829788  0.676372  1
  C  C201  1  0.261521  0.525941  0.705800  1
  C  C202  1  0.219923  0.092015  0.683881  1
  C  C203  1  0.518627  0.788062  0.714090  1
  C  C204  1  0.919775  0.395347  0.653248  1
  C  C205  1  0.487228  0.303741  0.678734  1
  C  C206  1  0.790936  1.001338  0.708905  1
  C  C207  1  0.186029  0.605919  0.648194  1
  C  C208  1  0.052379  0.262797  0.716704  1
  C  C209  1  0.447465  0.867863  0.656425  1
  C  C210  1  0.748313  0.563405  0.686463  1
