# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.93414158
_cell_length_b   5.31207568
_cell_length_c   48.19645821
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.08003488
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe120 C60'
_cell_volume   3554.31956504
_cell_formula_units_Z   60
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  0.943011  0.232003  0.309673  1
  Fe  Fe2  1  0.290528  0.385750  0.279490  1
  Fe  Fe3  1  0.616830  0.306840  0.294556  1
  Fe  Fe4  1  0.052192  0.856301  0.293687  1
  Fe  Fe5  1  0.377507  0.782505  0.308364  1
  Fe  Fe6  1  0.724556  0.934118  0.279138  1
  Fe  Fe7  1  0.117654  0.342780  0.296676  1
  Fe  Fe8  1  0.441818  0.268937  0.312099  1
  Fe  Fe9  1  0.792777  0.416295  0.281846  1
  Fe  Fe10  1  0.877905  0.746722  0.306688  1
  Fe  Fe11  1  0.238816  0.909848  0.277436  1
  Fe  Fe12  1  0.555696  0.830872  0.291921  1
  Fe  Fe13  1  0.917497  0.013186  0.355102  1
  Fe  Fe14  1  0.268163  0.159760  0.324985  1
  Fe  Fe15  1  0.592982  0.086125  0.339895  1
  Fe  Fe16  1  0.026543  0.636880  0.338758  1
  Fe  Fe17  1  0.350440  0.565634  0.354346  1
  Fe  Fe18  1  0.701666  0.710446  0.323636  1
  Fe  Fe19  1  0.091622  0.122988  0.341885  1
  Fe  Fe20  1  0.416294  0.051203  0.357541  1
  Fe  Fe21  1  0.766697  0.194914  0.326642  1
  Fe  Fe22  1  0.852118  0.527235  0.352023  1
  Fe  Fe23  1  0.202133  0.673670  0.321814  1
  Fe  Fe24  1  0.527422  0.599817  0.336969  1
  Fe  Fe25  1  0.891875  0.794024  0.400615  1
  Fe  Fe26  1  0.242050  0.940320  0.370333  1
  Fe  Fe27  1  0.567225  0.866613  0.385472  1
  Fe  Fe28  1  0.000426  0.418855  0.384502  1
  Fe  Fe29  1  0.325029  0.346338  0.399854  1
  Fe  Fe30  1  0.675647  0.491622  0.369349  1
  Fe  Fe31  1  0.066146  0.904466  0.387662  1
  Fe  Fe32  1  0.390761  0.830783  0.402714  1
  Fe  Fe33  1  0.741329  0.977326  0.372448  1
  Fe  Fe34  1  0.826444  0.308451  0.397517  1
  Fe  Fe35  1  0.176425  0.454757  0.367218  1
  Fe  Fe36  1  0.501817  0.381946  0.382405  1
  Fe  Fe37  1  0.866453  0.574630  0.446069  1
  Fe  Fe38  1  0.216754  0.720736  0.415776  1
  Fe  Fe39  1  0.541827  0.647554  0.430922  1
  Fe  Fe40  1  0.975027  0.199418  0.429951  1
  Fe  Fe41  1  0.299804  0.126516  0.445166  1
  Fe  Fe42  1  0.650250  0.272448  0.414760  1
  Fe  Fe43  1  0.040506  0.685016  0.433099  1
  Fe  Fe44  1  0.365356  0.611766  0.448220  1
  Fe  Fe45  1  0.715614  0.757686  0.417812  1
  Fe  Fe46  1  0.800870  0.089239  0.442990  1
  Fe  Fe47  1  0.151286  0.235571  0.412726  1
  Fe  Fe48  1  0.476142  0.162331  0.427867  1
  Fe  Fe49  1  0.841003  0.355329  0.491525  1
  Fe  Fe50  1  0.191272  0.501578  0.461245  1
  Fe  Fe51  1  0.516170  0.428483  0.476407  1
  Fe  Fe52  1  0.949471  0.980360  0.475453  1
  Fe  Fe53  1  0.274308  0.907295  0.490611  1
  Fe  Fe54  1  0.624571  0.053538  0.460305  1
  Fe  Fe55  1  0.014972  0.465782  0.478546  1
  Fe  Fe56  1  0.339830  0.392619  0.493690  1
  Fe  Fe57  1  0.690177  0.538749  0.463345  1
  Fe  Fe58  1  0.775386  0.870154  0.488485  1
  Fe  Fe59  1  0.125794  0.016240  0.458170  1
  Fe  Fe60  1  0.450617  0.943113  0.473334  1
  Fe  Fe61  1  0.815535  0.136003  0.536970  1
  Fe  Fe62  1  0.165769  0.282438  0.506723  1
  Fe  Fe63  1  0.490611  0.209315  0.521884  1
  Fe  Fe64  1  0.923943  0.761141  0.520909  1
  Fe  Fe65  1  0.248816  0.688130  0.536081  1
  Fe  Fe66  1  0.599055  0.834289  0.505771  1
  Fe  Fe67  1  0.989457  0.246587  0.523985  1
  Fe  Fe68  1  0.314311  0.173437  0.539154  1
  Fe  Fe69  1  0.664662  0.319487  0.508829  1
  Fe  Fe70  1  0.749894  0.650945  0.533980  1
  Fe  Fe71  1  0.100256  0.797045  0.503630  1
  Fe  Fe72  1  0.425097  0.723903  0.518782  1
  Fe  Fe73  1  0.789827  0.917175  0.582539  1
  Fe  Fe74  1  0.140236  0.063285  0.552175  1
  Fe  Fe75  1  0.464989  0.990341  0.567411  1
  Fe  Fe76  1  0.898209  0.542122  0.566373  1
  Fe  Fe77  1  0.223325  0.469019  0.581558  1
  Fe  Fe78  1  0.573586  0.615009  0.551251  1
  Fe  Fe79  1  0.963947  0.027418  0.569450  1
  Fe  Fe80  1  0.288918  0.954191  0.584622  1
  Fe  Fe81  1  0.639128  0.100370  0.554317  1
  Fe  Fe82  1  0.724450  0.431975  0.579497  1
  Fe  Fe83  1  0.074716  0.577829  0.549068  1
  Fe  Fe84  1  0.399526  0.504660  0.564238  1
  Fe  Fe85  1  0.764405  0.697894  0.627979  1
  Fe  Fe86  1  0.114938  0.843537  0.597462  1
  Fe  Fe87  1  0.439564  0.771037  0.612866  1
  Fe  Fe88  1  0.872593  0.323111  0.611815  1
  Fe  Fe89  1  0.198169  0.249188  0.627007  1
  Fe  Fe90  1  0.548090  0.395839  0.596723  1
  Fe  Fe91  1  0.938255  0.807797  0.614877  1
  Fe  Fe92  1  0.263771  0.735265  0.630131  1
  Fe  Fe93  1  0.613492  0.881236  0.599788  1
  Fe  Fe94  1  0.698747  0.212410  0.624845  1
  Fe  Fe95  1  0.049316  0.358666  0.594514  1
  Fe  Fe96  1  0.374043  0.285885  0.609875  1
  Fe  Fe97  1  0.738541  0.479242  0.673658  1
  Fe  Fe98  1  0.089746  0.623501  0.642779  1
  Fe  Fe99  1  0.413751  0.552468  0.658559  1
  Fe  Fe100  1  0.847226  0.103563  0.657393  1
  Fe  Fe101  1  0.172125  0.030787  0.672288  1
  Fe  Fe102  1  0.522572  0.176566  0.642259  1
  Fe  Fe103  1  0.912715  0.589459  0.660273  1
  Fe  Fe104  1  0.237485  0.514225  0.675739  1
  Fe  Fe105  1  0.588155  0.662386  0.645321  1
  Fe  Fe106  1  0.673536  0.994598  0.670674  1
  Fe  Fe107  1  0.023738  0.138389  0.639699  1
  Fe  Fe108  1  0.348594  0.066625  0.655342  1
  Fe  Fe109  1  0.715696  0.256281  0.718197  1
  Fe  Fe110  1  0.063223  0.406919  0.688659  1
  Fe  Fe111  1  0.388393  0.332311  0.703665  1
  Fe  Fe112  1  0.823646  0.883187  0.702728  1
  Fe  Fe113  1  0.149047  0.803989  0.717658  1
  Fe  Fe114  1  0.497594  0.956611  0.687693  1
  Fe  Fe115  1  0.885807  0.362107  0.705461  1
  Fe  Fe116  1  0.202954  0.281452  0.720028  1
  Fe  Fe117  1  0.562565  0.442588  0.690684  1
  Fe  Fe118  1  0.647742  0.772867  0.715472  1
  Fe  Fe119  1  0.998194  0.920772  0.685314  1
  Fe  Fe120  1  0.322406  0.844748  0.700650  1
  C  C121  1  0.835397  0.080107  0.293798  1
  C  C122  1  0.160554  0.008194  0.309086  1
  C  C123  1  0.508152  0.159479  0.278686  1
  C  C124  1  0.997397  0.543792  0.301352  1
  C  C125  1  0.322205  0.472478  0.316889  1
  C  C126  1  0.672374  0.617066  0.286250  1
  C  C127  1  0.809348  0.861668  0.339537  1
  C  C128  1  0.133907  0.789248  0.354694  1
  C  C129  1  0.484298  0.934570  0.324671  1
  C  C130  1  0.971982  0.325357  0.347070  1
  C  C131  1  0.296388  0.252984  0.362435  1
  C  C132  1  0.647352  0.398504  0.331895  1
  C  C133  1  0.783901  0.642688  0.384914  1
  C  C134  1  0.108528  0.569830  0.400170  1
  C  C135  1  0.459023  0.716025  0.369803  1
  C  C136  1  0.946229  0.106280  0.392530  1
  C  C137  1  0.271042  0.033199  0.407749  1
  C  C138  1  0.621406  0.179041  0.377351  1
  C  C139  1  0.758312  0.423600  0.430431  1
  C  C140  1  0.083079  0.350572  0.445631  1
  C  C141  1  0.433589  0.496734  0.415318  1
  C  C142  1  0.920686  0.887146  0.438035  1
  C  C143  1  0.245568  0.813979  0.453192  1
  C  C144  1  0.595943  0.960209  0.422880  1
  C  C145  1  0.732792  0.204444  0.475910  1
  C  C146  1  0.057634  0.131398  0.491079  1
  C  C147  1  0.408003  0.277465  0.460782  1
  C  C148  1  0.895161  0.667948  0.483490  1
  C  C149  1  0.220048  0.594846  0.498663  1
  C  C150  1  0.570406  0.740948  0.468348  1
  C  C151  1  0.707239  0.985179  0.521401  1
  C  C152  1  0.032089  0.912244  0.536537  1
  C  C153  1  0.382467  0.058291  0.506245  1
  C  C154  1  0.869644  0.448713  0.528947  1
  C  C155  1  0.194546  0.375707  0.544141  1
  C  C156  1  0.544897  0.521718  0.513828  1
  C  C157  1  0.681720  0.766074  0.566889  1
  C  C158  1  0.006476  0.692895  0.581967  1
  C  C159  1  0.357005  0.839116  0.551700  1
  C  C160  1  0.844097  0.229417  0.574396  1
  C  C161  1  0.169134  0.156441  0.589588  1
  C  C162  1  0.519347  0.302543  0.559305  1
  C  C163  1  0.656144  0.547063  0.612388  1
  C  C164  1  0.980966  0.473439  0.627408  1
  C  C165  1  0.331551  0.619840  0.597175  1
  C  C166  1  0.818622  0.010451  0.619956  1
  C  C167  1  0.143701  0.936653  0.634882  1
  C  C168  1  0.493772  0.083588  0.604830  1
  C  C169  1  0.630849  0.327830  0.657784  1
  C  C170  1  0.955965  0.254915  0.672613  1
  C  C171  1  0.305912  0.400964  0.642794  1
  C  C172  1  0.792908  0.791158  0.665415  1
  C  C173  1  0.117816  0.718098  0.680196  1
  C  C174  1  0.468277  0.864133  0.650293  1
  C  C175  1  0.605065  0.109156  0.703564  1
  C  C176  1  0.931861  0.032213  0.718657  1
  C  C177  1  0.280148  0.179845  0.688273  1
  C  C178  1  0.768256  0.572694  0.711011  1
  C  C179  1  0.088345  0.502011  0.726270  1
  C  C180  1  0.442951  0.645093  0.695973  1
