# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79293614
_cell_length_b   17.11443448
_cell_length_c   50.02016634
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.74082662
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe150 C60'
_cell_volume   4065.68442543
_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  0.961953  0.591087  0.362569  1
  Fe  Fe2  1  0.598802  0.852506  0.306833  1
  Fe  Fe3  1  0.280883  0.221315  0.334776  1
  Fe  Fe4  1  0.159556  0.674550  0.327685  1
  Fe  Fe5  1  0.845417  0.043475  0.356054  1
  Fe  Fe6  1  0.468926  0.303241  0.299861  1
  Fe  Fe7  1  0.597091  0.492023  0.347749  1
  Fe  Fe8  1  0.237642  0.753750  0.291407  1
  Fe  Fe9  1  0.915586  0.122088  0.319370  1
  Fe  Fe10  1  0.347956  0.438813  0.305575  1
  Fe  Fe11  1  0.042220  0.807539  0.333730  1
  Fe  Fe12  1  0.726021  0.176973  0.360603  1
  Fe  Fe13  1  0.720642  0.719007  0.301603  1
  Fe  Fe14  1  0.397073  0.087804  0.329911  1
  Fe  Fe15  1  0.082687  0.457837  0.357535  1
  Fe  Fe16  1  0.085582  0.541087  0.320509  1
  Fe  Fe17  1  0.772540  0.907114  0.348747  1
  Fe  Fe18  1  0.407567  0.160145  0.292846  1
  Fe  Fe19  1  0.545588  0.659760  0.365979  1
  Fe  Fe20  1  0.175986  0.920788  0.310103  1
  Fe  Fe21  1  0.857101  0.289763  0.338533  1
  Fe  Fe22  1  0.035160  0.727231  0.369761  1
  Fe  Fe23  1  0.668301  0.988540  0.313615  1
  Fe  Fe24  1  0.349903  0.358233  0.342350  1
  Fe  Fe25  1  0.524449  0.773154  0.343452  1
  Fe  Fe26  1  0.209530  0.142478  0.371264  1
  Fe  Fe27  1  0.841432  0.404698  0.315752  1
  Fe  Fe28  1  0.579511  0.603457  0.324283  1
  Fe  Fe29  1  0.263549  0.974875  0.352525  1
  Fe  Fe30  1  0.892416  0.238040  0.296669  1
  Fe  Fe31  1  0.017583  0.701006  0.445923  1
  Fe  Fe32  1  0.648586  0.960384  0.390376  1
  Fe  Fe33  1  0.333018  0.330645  0.418131  1
  Fe  Fe34  1  0.214436  0.783760  0.411451  1
  Fe  Fe35  1  0.898884  0.153756  0.439318  1
  Fe  Fe36  1  0.528077  0.413282  0.383748  1
  Fe  Fe37  1  0.654700  0.602104  0.430723  1
  Fe  Fe38  1  0.285974  0.862010  0.374684  1
  Fe  Fe39  1  0.970611  0.231984  0.402825  1
  Fe  Fe40  1  0.408804  0.547454  0.388634  1
  Fe  Fe41  1  0.094653  0.917229  0.416780  1
  Fe  Fe42  1  0.779601  0.287423  0.444423  1
  Fe  Fe43  1  0.766996  0.827101  0.385094  1
  Fe  Fe44  1  0.453345  0.197186  0.412954  1
  Fe  Fe45  1  0.136739  0.567291  0.440774  1
  Fe  Fe46  1  0.141279  0.646459  0.404261  1
  Fe  Fe47  1  0.827514  0.016459  0.432029  1
  Fe  Fe48  1  0.457955  0.276153  0.376324  1
  Fe  Fe49  1  0.599931  0.769841  0.449381  1
  Fe  Fe50  1  0.229078  0.029611  0.393965  1
  Fe  Fe51  1  0.913214  0.399610  0.421711  1
  Fe  Fe52  1  0.089010  0.838125  0.453167  1
  Fe  Fe53  1  0.719939  0.098106  0.397818  1
  Fe  Fe54  1  0.403797  0.468323  0.425508  1
  Fe  Fe55  1  0.576519  0.882234  0.426826  1
  Fe  Fe56  1  0.261725  0.252547  0.454639  1
  Fe  Fe57  1  0.892279  0.512567  0.399047  1
  Fe  Fe58  1  0.632209  0.714776  0.408014  1
  Fe  Fe59  1  0.317178  0.084785  0.435816  1
  Fe  Fe60  1  0.946897  0.344753  0.380155  1
  Fe  Fe61  1  0.072351  0.811347  0.529309  1
  Fe  Fe62  1  0.702607  0.070976  0.473727  1
  Fe  Fe63  1  0.387277  0.441201  0.501522  1
  Fe  Fe64  1  0.268106  0.893948  0.494921  1
  Fe  Fe65  1  0.952776  0.264173  0.522716  1
  Fe  Fe66  1  0.583032  0.523802  0.467133  1
  Fe  Fe67  1  0.709523  0.712459  0.514036  1
  Fe  Fe68  1  0.339885  0.972185  0.458444  1
  Fe  Fe69  1  0.024678  0.342416  0.486217  1
  Fe  Fe70  1  0.464110  0.657632  0.472265  1
  Fe  Fe71  1  0.148804  0.027720  0.500107  1
  Fe  Fe72  1  0.833687  0.397997  0.527892  1
  Fe  Fe73  1  0.821697  0.937153  0.468550  1
  Fe  Fe74  1  0.506579  0.307430  0.496335  1
  Fe  Fe75  1  0.191273  0.677518  0.524177  1
  Fe  Fe76  1  0.196893  0.756572  0.487623  1
  Fe  Fe77  1  0.881684  0.126742  0.515399  1
  Fe  Fe78  1  0.512255  0.386438  0.459807  1
  Fe  Fe79  1  0.653747  0.880193  0.532845  1
  Fe  Fe80  1  0.284003  0.139962  0.477233  1
  Fe  Fe81  1  0.968489  0.510093  0.505039  1
  Fe  Fe82  1  0.143128  0.948711  0.536635  1
  Fe  Fe83  1  0.773699  0.208407  0.481043  1
  Fe  Fe84  1  0.458490  0.578577  0.508819  1
  Fe  Fe85  1  0.630705  0.992733  0.510226  1
  Fe  Fe86  1  0.315498  0.362965  0.537998  1
  Fe  Fe87  1  0.945860  0.622691  0.482407  1
  Fe  Fe88  1  0.686894  0.825056  0.491404  1
  Fe  Fe89  1  0.371380  0.195188  0.519209  1
  Fe  Fe90  1  0.001636  0.454956  0.463597  1
  Fe  Fe91  1  0.127306  0.921868  0.612694  1
  Fe  Fe92  1  0.756499  0.181393  0.557124  1
  Fe  Fe93  1  0.440947  0.551389  0.584992  1
  Fe  Fe94  1  0.322365  0.004504  0.578312  1
  Fe  Fe95  1  0.006797  0.374765  0.606067  1
  Fe  Fe96  1  0.637800  0.634143  0.550519  1
  Fe  Fe97  1  0.763104  0.822582  0.597395  1
  Fe  Fe98  1  0.393658  0.082602  0.541804  1
  Fe  Fe99  1  0.078864  0.452915  0.569616  1
  Fe  Fe100  1  0.518644  0.767858  0.555669  1
  Fe  Fe101  1  0.202038  0.137963  0.583489  1
  Fe  Fe102  1  0.888387  0.508048  0.611349  1
  Fe  Fe103  1  0.875782  0.047726  0.552020  1
  Fe  Fe104  1  0.560730  0.417920  0.579663  1
  Fe  Fe105  1  0.246579  0.787696  0.607809  1
  Fe  Fe106  1  0.251586  0.866826  0.570934  1
  Fe  Fe107  1  0.935444  0.237043  0.598625  1
  Fe  Fe108  1  0.566373  0.497025  0.543276  1
  Fe  Fe109  1  0.708486  0.990396  0.616288  1
  Fe  Fe110  1  0.338205  0.250365  0.560627  1
  Fe  Fe111  1  0.023174  0.620373  0.588428  1
  Fe  Fe112  1  0.197428  0.058996  0.620119  1
  Fe  Fe113  1  0.827869  0.318691  0.564414  1
  Fe  Fe114  1  0.514104  0.688691  0.592182  1
  Fe  Fe115  1  0.684772  0.103166  0.593617  1
  Fe  Fe116  1  0.369409  0.473139  0.621759  1
  Fe  Fe117  1  1.000683  0.733046  0.565719  1
  Fe  Fe118  1  0.742169  0.935539  0.574731  1
  Fe  Fe119  1  0.426305  0.305538  0.602478  1
  Fe  Fe120  1  0.055452  0.565308  0.547061  1
  Fe  Fe121  1  0.186457  0.031909  0.696581  1
  Fe  Fe122  1  0.809966  0.291674  0.640388  1
  Fe  Fe123  1  0.495827  0.660599  0.668757  1
  Fe  Fe124  1  0.374500  0.113835  0.661667  1
  Fe  Fe125  1  0.056581  0.482643  0.689609  1
  Fe  Fe126  1  0.693430  0.744063  0.633873  1
  Fe  Fe127  1  0.813951  0.930451  0.680690  1
  Fe  Fe128  1  0.445853  0.192672  0.625178  1
  Fe  Fe129  1  0.130934  0.561995  0.652991  1
  Fe  Fe130  1  0.572696  0.877312  0.638907  1
  Fe  Fe131  1  0.258311  0.247345  0.666532  1
  Fe  Fe132  1  0.934741  0.616142  0.694839  1
  Fe  Fe133  1  0.929362  0.158176  0.635840  1
  Fe  Fe134  1  0.613163  0.527610  0.662712  1
  Fe  Fe135  1  0.307427  0.896337  0.690868  1
  Fe  Fe136  1  0.305480  0.976916  0.654093  1
  Fe  Fe137  1  0.987082  0.346609  0.682828  1
  Fe  Fe138  1  0.620223  0.607918  0.626681  1
  Fe  Fe139  1  0.762967  0.097109  0.699773  1
  Fe  Fe140  1  0.391834  0.360274  0.643917  1
  Fe  Fe141  1  0.075872  0.731693  0.672160  1
  Fe  Fe142  1  0.247816  0.175005  0.703597  1
  Fe  Fe143  1  0.882843  0.428036  0.647695  1
  Fe  Fe144  1  0.569801  0.794062  0.675934  1
  Fe  Fe145  1  0.739797  0.213061  0.677072  1
  Fe  Fe146  1  0.417741  0.581399  0.705035  1
  Fe  Fe147  1  0.058292  0.843127  0.648693  1
  Fe  Fe148  1  0.798282  0.045386  0.657909  1
  Fe  Fe149  1  0.479397  0.414361  0.686340  1
  Fe  Fe150  1  0.109795  0.675389  0.630464  1
  C  C151  1  0.702782  0.503974  0.310766  1
  C  C152  1  0.388739  0.877440  0.337709  1
  C  C153  1  0.072806  0.245972  0.365800  1
  C  C154  1  0.803183  0.703439  0.338679  1
  C  C155  1  0.488988  0.072846  0.366786  1
  C  C156  1  0.116626  0.333686  0.311430  1
  C  C157  1  0.318615  0.562185  0.351670  1
  C  C158  1  0.955127  0.821945  0.296705  1
  C  C159  1  0.635680  0.191648  0.323632  1
  C  C160  1  0.372782  0.650086  0.296985  1
  C  C161  1  0.051121  0.018333  0.324937  1
  C  C162  1  0.735385  0.388843  0.352625  1
  C  C163  1  0.756326  0.616229  0.393692  1
  C  C164  1  0.442712  0.986017  0.421432  1
  C  C165  1  0.127400  0.356280  0.449197  1
  C  C166  1  0.857929  0.813354  0.422083  1
  C  C167  1  0.542650  0.183451  0.449983  1
  C  C168  1  0.172213  0.443127  0.394500  1
  C  C169  1  0.373676  0.671200  0.435256  1
  C  C170  1  0.005368  0.931000  0.379756  1
  C  C171  1  0.689035  0.300878  0.407407  1
  C  C172  1  0.419674  0.758000  0.380379  1
  C  C173  1  0.105228  0.128490  0.408241  1
  C  C174  1  0.788852  0.498458  0.436039  1
  C  C175  1  0.812019  0.726450  0.477017  1
  C  C176  1  0.496786  0.096517  0.504801  1
  C  C177  1  0.181749  0.466786  0.532601  1
  C  C178  1  0.911944  0.923758  0.505573  1
  C  C179  1  0.596561  0.293900  0.533359  1
  C  C180  1  0.226921  0.553642  0.477784  1
  C  C181  1  0.428462  0.781507  0.518658  1
  C  C182  1  0.058822  0.041249  0.463084  1
  C  C183  1  0.743439  0.411392  0.490869  1
  C  C184  1  0.473634  0.868363  0.463842  1
  C  C185  1  0.158597  0.238632  0.491642  1
  C  C186  1  0.843364  0.608699  0.519426  1
  C  C187  1  0.866531  0.836691  0.560403  1
  C  C188  1  0.550155  0.206660  0.588201  1
  C  C189  1  0.235709  0.577149  0.616064  1
  C  C190  1  0.966348  0.034271  0.589035  1
  C  C191  1  0.650015  0.404149  0.616686  1
  C  C192  1  0.281707  0.663949  0.561187  1
  C  C193  1  0.483170  0.892022  0.601943  1
  C  C194  1  0.112733  0.151699  0.546459  1
  C  C195  1  0.797454  0.521795  0.574359  1
  C  C196  1  0.527983  0.978869  0.547245  1
  C  C197  1  0.212671  0.349133  0.575010  1
  C  C198  1  0.899057  0.718921  0.602751  1
  C  C199  1  0.919998  0.946306  0.643817  1
  C  C200  1  0.604262  0.316817  0.671505  1
  C  C201  1  0.282601  0.685063  0.699458  1
  C  C202  1  0.019703  0.143502  0.672810  1
  C  C203  1  0.700256  0.513204  0.699738  1
  C  C204  1  0.336768  0.772964  0.644773  1
  C  C205  1  0.538757  1.001463  0.685012  1
  C  C206  1  0.166395  0.262304  0.629657  1
  C  C207  1  0.852200  0.631710  0.657763  1
  C  C208  1  0.582577  0.089177  0.630642  1
  C  C209  1  0.266644  0.457709  0.658733  1
  C  C210  1  0.952601  0.831175  0.685676  1
