# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56334668
_cell_length_b   17.53283143
_cell_length_c   46.68513327
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.29099863
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe150 C60'
_cell_volume   3732.21666482
_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  0.542962  0.011523  0.306857  1
  Fe  Fe2  1  0.604617  0.273154  0.279355  1
  Fe  Fe3  1  0.504480  0.755701  0.340959  1
  Fe  Fe4  1  0.728239  0.762596  0.294991  1
  Fe  Fe5  1  0.645258  0.238421  0.356420  1
  Fe  Fe6  1  0.692650  0.499978  0.325798  1
  Fe  Fe7  1  0.838323  0.955642  0.344904  1
  Fe  Fe8  1  0.892449  0.211995  0.314830  1
  Fe  Fe9  1  0.938267  0.474994  0.284073  1
  Fe  Fe10  1  0.331410  0.898277  0.351874  1
  Fe  Fe11  1  0.377049  0.155811  0.322430  1
  Fe  Fe12  1  0.427218  0.417926  0.291281  1
  Fe  Fe13  1  0.817093  0.096153  0.345805  1
  Fe  Fe14  1  0.866122  0.357618  0.315304  1
  Fe  Fe15  1  0.905293  0.618100  0.284957  1
  Fe  Fe16  1  0.057930  0.051386  0.301998  1
  Fe  Fe17  1  0.111649  0.312942  0.274273  1
  Fe  Fe18  1  0.010420  0.794270  0.336647  1
  Fe  Fe19  1  0.379942  0.879618  0.304767  1
  Fe  Fe20  1  0.450142  0.141813  0.275082  1
  Fe  Fe21  1  0.347760  0.619577  0.334370  1
  Fe  Fe22  1  0.226212  0.721063  0.300156  1
  Fe  Fe23  1  0.137049  0.199043  0.361599  1
  Fe  Fe24  1  0.184966  0.460729  0.331581  1
  Fe  Fe25  1  0.303493  0.040308  0.352359  1
  Fe  Fe26  1  0.353772  0.301144  0.322112  1
  Fe  Fe27  1  0.399031  0.564193  0.291083  1
  Fe  Fe28  1  0.887735  0.897911  0.302552  1
  Fe  Fe29  1  0.805827  0.373006  0.363237  1
  Fe  Fe30  1  0.852635  0.633421  0.332836  1
  Fe  Fe31  1  0.416746  0.232237  0.401851  1
  Fe  Fe32  1  0.461640  0.493263  0.371391  1
  Fe  Fe33  1  0.371418  0.970953  0.431815  1
  Fe  Fe34  1  0.598382  0.977724  0.386943  1
  Fe  Fe35  1  0.511066  0.455693  0.447186  1
  Fe  Fe36  1  0.555097  0.716751  0.416839  1
  Fe  Fe37  1  0.709587  0.170101  0.436415  1
  Fe  Fe38  1  0.754419  0.431090  0.405967  1
  Fe  Fe39  1  0.799645  0.692190  0.375428  1
  Fe  Fe40  1  0.198355  0.113003  0.443101  1
  Fe  Fe41  1  0.243388  0.373947  0.412656  1
  Fe  Fe42  1  0.288391  0.635515  0.382118  1
  Fe  Fe43  1  0.684606  0.313647  0.436304  1
  Fe  Fe44  1  0.729242  0.574766  0.405876  1
  Fe  Fe45  1  0.773436  0.835911  0.375621  1
  Fe  Fe46  1  0.924277  0.271318  0.396837  1
  Fe  Fe47  1  0.968523  0.532212  0.366371  1
  Fe  Fe48  1  0.880112  0.010499  0.427433  1
  Fe  Fe49  1  0.257343  0.097339  0.395330  1
  Fe  Fe50  1  0.304021  0.359136  0.364580  1
  Fe  Fe51  1  0.213117  0.836350  0.425083  1
  Fe  Fe52  1  0.090221  0.937814  0.391631  1
  Fe  Fe53  1  0.003531  0.416429  0.452035  1
  Fe  Fe54  1  0.047936  0.677426  0.421745  1
  Fe  Fe55  1  0.173353  0.256698  0.443009  1
  Fe  Fe56  1  0.217905  0.517705  0.412569  1
  Fe  Fe57  1  0.262120  0.778461  0.382225  1
  Fe  Fe58  1  0.758837  0.112941  0.393815  1
  Fe  Fe59  1  0.669593  0.590179  0.453893  1
  Fe  Fe60  1  0.714128  0.851076  0.423621  1
  Fe  Fe61  1  0.282451  0.449039  0.492390  1
  Fe  Fe62  1  0.327294  0.709906  0.462094  1
  Fe  Fe63  1  0.238062  0.187803  0.522639  1
  Fe  Fe64  1  0.466532  0.194300  0.477524  1
  Fe  Fe65  1  0.377300  0.672197  0.538068  1
  Fe  Fe66  1  0.422143  0.933064  0.507773  1
  Fe  Fe67  1  0.575305  0.386838  0.526897  1
  Fe  Fe68  1  0.620674  0.647899  0.496732  1
  Fe  Fe69  1  0.665204  0.908797  0.466508  1
  Fe  Fe70  1  0.064831  0.329796  0.533531  1
  Fe  Fe71  1  0.109072  0.590847  0.503404  1
  Fe  Fe72  1  0.153923  0.851575  0.473187  1
  Fe  Fe73  1  0.550671  0.530528  0.526975  1
  Fe  Fe74  1  0.595522  0.791256  0.496759  1
  Fe  Fe75  1  0.639763  0.052307  0.466632  1
  Fe  Fe76  1  0.790050  0.488273  0.487456  1
  Fe  Fe77  1  0.834763  0.749048  0.457164  1
  Fe  Fe78  1  0.745873  0.226991  0.517815  1
  Fe  Fe79  1  0.123830  0.314397  0.485676  1
  Fe  Fe80  1  0.168821  0.575500  0.455313  1
  Fe  Fe81  1  0.079314  0.052841  0.515987  1
  Fe  Fe82  1  0.958721  0.155112  0.482347  1
  Fe  Fe83  1  0.869831  0.633055  0.542999  1
  Fe  Fe84  1  0.914544  0.893830  0.512707  1
  Fe  Fe85  1  0.039390  0.473306  0.533655  1
  Fe  Fe86  1  0.083920  0.734204  0.503431  1
  Fe  Fe87  1  0.129289  0.995265  0.473265  1
  Fe  Fe88  1  0.625280  0.329262  0.484176  1
  Fe  Fe89  1  0.535773  0.806603  0.544849  1
  Fe  Fe90  1  0.580764  0.067706  0.514487  1
  Fe  Fe91  1  0.149497  0.665352  0.583324  1
  Fe  Fe92  1  0.193528  0.926410  0.552977  1
  Fe  Fe93  1  0.106212  0.404379  0.613220  1
  Fe  Fe94  1  0.333176  0.411150  0.568348  1
  Fe  Fe95  1  0.242954  0.888840  0.628772  1
  Fe  Fe96  1  0.287848  0.149866  0.598312  1
  Fe  Fe97  1  0.442474  0.603642  0.617938  1
  Fe  Fe98  1  0.486689  0.864398  0.587593  1
  Fe  Fe99  1  0.531241  0.125405  0.557154  1
  Fe  Fe100  1  0.931158  0.546192  0.624541  1
  Fe  Fe101  1  0.975352  0.807338  0.594287  1
  Fe  Fe102  1  0.019988  0.068456  0.563859  1
  Fe  Fe103  1  0.416203  0.746588  0.618045  1
  Fe  Fe104  1  0.461206  0.008156  0.587507  1
  Fe  Fe105  1  0.506239  0.269100  0.557062  1
  Fe  Fe106  1  0.656658  0.704677  0.578418  1
  Fe  Fe107  1  0.701063  0.965674  0.548128  1
  Fe  Fe108  1  0.614373  0.444289  0.608532  1
  Fe  Fe109  1  0.990466  0.531027  0.576542  1
  Fe  Fe110  1  0.035001  0.791924  0.546270  1
  Fe  Fe111  1  0.945757  0.269162  0.606348  1
  Fe  Fe112  1  0.824482  0.371604  0.572730  1
  Fe  Fe113  1  0.736071  0.849891  0.633791  1
  Fe  Fe114  1  0.780317  0.110785  0.603325  1
  Fe  Fe115  1  0.904949  0.689913  0.624735  1
  Fe  Fe116  1  0.950175  0.951013  0.594196  1
  Fe  Fe117  1  0.995007  0.212002  0.563748  1
  Fe  Fe118  1  0.491477  0.545753  0.575080  1
  Fe  Fe119  1  0.400573  0.022967  0.635583  1
  Fe  Fe120  1  0.447251  0.284764  0.604833  1
  Fe  Fe121  1  0.011944  0.882125  0.674365  1
  Fe  Fe122  1  0.059336  0.143682  0.643743  1
  Fe  Fe123  1  0.976355  0.619507  0.705172  1
  Fe  Fe124  1  0.200114  0.626402  0.659203  1
  Fe  Fe125  1  0.099977  0.108949  0.720807  1
  Fe  Fe126  1  0.161632  0.370580  0.693306  1
  Fe  Fe127  1  0.305563  0.817910  0.709080  1
  Fe  Fe128  1  0.350822  0.080959  0.678051  1
  Fe  Fe129  1  0.401101  0.341795  0.647804  1
  Fe  Fe130  1  0.799301  0.764003  0.715206  1
  Fe  Fe131  1  0.838472  0.024485  0.684859  1
  Fe  Fe132  1  0.887501  0.285950  0.654358  1
  Fe  Fe133  1  0.277376  0.964177  0.708882  1
  Fe  Fe134  1  0.327545  0.226292  0.677733  1
  Fe  Fe135  1  0.373184  0.483826  0.648289  1
  Fe  Fe136  1  0.519628  0.921374  0.668582  1
  Fe  Fe137  1  0.567545  0.183060  0.638563  1
  Fe  Fe138  1  0.478382  0.661040  0.700007  1
  Fe  Fe139  1  0.851959  0.748682  0.667327  1
  Fe  Fe140  1  0.898767  0.009097  0.636926  1
  Fe  Fe141  1  0.816859  0.484192  0.697610  1
  Fe  Fe142  1  0.694174  0.587833  0.663516  1
  Fe  Fe143  1  0.592945  0.069161  0.725890  1
  Fe  Fe144  1  0.646664  0.330717  0.698165  1
  Fe  Fe145  1  0.766327  0.907109  0.716090  1
  Fe  Fe146  1  0.812145  0.170108  0.685333  1
  Fe  Fe147  1  0.866271  0.426461  0.655259  1
  Fe  Fe148  1  0.356834  0.762526  0.665792  1
  Fe  Fe149  1  0.254452  0.240290  0.725081  1
  Fe  Fe150  1  0.324652  0.502485  0.695396  1
  C  C151  1  0.190648  0.963855  0.322328  1
  C  C152  1  0.248362  0.223388  0.292975  1
  C  C153  1  0.149803  0.701383  0.352571  1
  C  C154  1  0.476750  0.137840  0.363203  1
  C  C155  1  0.524469  0.399312  0.332450  1
  C  C156  1  0.569578  0.661417  0.302635  1
  C  C157  1  0.673674  0.856555  0.334870  1
  C  C158  1  0.720802  0.112729  0.306275  1
  C  C159  1  0.773675  0.374858  0.275724  1
  C  C160  1  0.091416  0.815719  0.285328  1
  C  C161  1  0.002706  0.291368  0.344805  1
  C  C162  1  0.051211  0.552390  0.314191  1
  C  C163  1  0.060186  0.179126  0.413627  1
  C  C164  1  0.105185  0.440139  0.383206  1
  C  C165  1  0.015643  0.917611  0.443689  1
  C  C166  1  0.342497  0.354903  0.453500  1
  C  C167  1  0.386949  0.615899  0.423082  1
  C  C168  1  0.430351  0.876697  0.392787  1
  C  C169  1  0.540749  0.071857  0.425926  1
  C  C170  1  0.585543  0.332925  0.395382  1
  C  C171  1  0.630207  0.593996  0.364952  1
  C  C172  1  0.955815  0.031048  0.375579  1
  C  C173  1  0.867591  0.508824  0.435405  1
  C  C174  1  0.911884  0.769760  0.405077  1
  C  C175  1  0.925735  0.395858  0.504084  1
  C  C176  1  0.970777  0.656750  0.473861  1
  C  C177  1  0.881698  0.134455  0.534345  1
  C  C178  1  0.208500  0.571398  0.544300  1
  C  C179  1  0.253449  0.832272  0.514050  1
  C  C180  1  0.297549  0.093533  0.483816  1
  C  C181  1  0.407045  0.288570  0.516346  1
  C  C182  1  0.451145  0.549831  0.486113  1
  C  C183  1  0.496094  0.810705  0.455863  1
  C  C184  1  0.822896  0.247648  0.465818  1
  C  C185  1  0.733817  0.725353  0.526302  1
  C  C186  1  0.778859  0.986245  0.496079  1
  C  C187  1  0.792710  0.612343  0.595085  1
  C  C188  1  0.837003  0.873279  0.564758  1
  C  C189  1  0.748779  0.351055  0.624584  1
  C  C190  1  0.074387  0.788107  0.635211  1
  C  C191  1  0.119051  0.049178  0.604781  1
  C  C192  1  0.163845  0.310246  0.574237  1
  C  C193  1  0.274243  0.505406  0.607376  1
  C  C194  1  0.317645  0.766204  0.577081  1
  C  C195  1  0.362097  0.027200  0.546663  1
  C  C196  1  0.688951  0.464492  0.556473  1
  C  C197  1  0.599409  0.941964  0.616957  1
  C  C198  1  0.644408  0.202977  0.586535  1
  C  C199  1  0.653383  0.829713  0.685972  1
  C  C200  1  0.701888  0.090735  0.655358  1
  C  C201  1  0.613178  0.566384  0.714835  1
  C  C202  1  0.930919  0.007245  0.724439  1
  C  C203  1  0.983792  0.269374  0.693888  1
  C  C204  1  0.030920  0.525548  0.665293  1
  C  C205  1  0.135016  0.720686  0.697528  1
  C  C206  1  0.180125  0.982791  0.667713  1
  C  C207  1  0.227844  0.244263  0.636960  1
  C  C208  1  0.554791  0.680720  0.647592  1
  C  C209  1  0.456232  0.158715  0.707188  1
  C  C210  1  0.513946  0.418248  0.677835  1
