# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56283211
_cell_length_b   15.87174634
_cell_length_c   52.05055731
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.48737117
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe150 C60'
_cell_volume   3737.36698783
_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  0.860863  0.402623  0.328641  1
  Fe  Fe2  1  0.845617  0.053007  0.358918  1
  Fe  Fe3  1  0.879726  0.751071  0.298561  1
  Fe  Fe4  1  0.009933  0.284956  0.308905  1
  Fe  Fe5  1  0.018084  0.937740  0.339930  1
  Fe  Fe6  1  0.042052  0.626777  0.278831  1
  Fe  Fe7  1  0.191302  0.465013  0.360860  1
  Fe  Fe8  1  0.183717  0.161425  0.299420  1
  Fe  Fe9  1  0.208948  0.814117  0.331047  1
  Fe  Fe10  1  0.711240  0.502193  0.290441  1
  Fe  Fe11  1  0.688783  0.151730  0.320673  1
  Fe  Fe12  1  0.697055  0.803772  0.350890  1
  Fe  Fe13  1  0.163445  0.186188  0.347899  1
  Fe  Fe14  1  0.183932  0.883770  0.287983  1
  Fe  Fe15  1  0.181505  0.535631  0.317319  1
  Fe  Fe16  1  0.366529  0.407831  0.314540  1
  Fe  Fe17  1  0.346303  0.061066  0.345388  1
  Fe  Fe18  1  0.409322  0.768838  0.283960  1
  Fe  Fe19  1  0.698681  0.361408  0.279817  1
  Fe  Fe20  1  0.688452  0.016532  0.306514  1
  Fe  Fe21  1  0.687643  0.668277  0.337102  1
  Fe  Fe22  1  0.507291  0.277286  0.322802  1
  Fe  Fe23  1  0.508564  0.929874  0.353564  1
  Fe  Fe24  1  0.527720  0.629851  0.292823  1
  Fe  Fe25  1  0.670933  0.216025  0.277293  1
  Fe  Fe26  1  0.690264  0.873100  0.310205  1
  Fe  Fe27  1  0.673152  0.525469  0.337282  1
  Fe  Fe28  1  0.176200  0.322085  0.361138  1
  Fe  Fe29  1  0.182612  0.018106  0.301082  1
  Fe  Fe30  1  0.192642  0.672095  0.330882  1
  Fe  Fe31  1  0.836846  0.355874  0.419422  1
  Fe  Fe32  1  0.825842  0.006667  0.449838  1
  Fe  Fe33  1  0.846551  0.704878  0.389185  1
  Fe  Fe34  1  0.991182  0.238718  0.400023  1
  Fe  Fe35  1  0.988795  0.889647  0.430464  1
  Fe  Fe36  1  0.004901  0.587504  0.369722  1
  Fe  Fe37  1  0.168541  0.418140  0.451839  1
  Fe  Fe38  1  0.177903  0.116149  0.391243  1
  Fe  Fe39  1  0.178229  0.766984  0.421638  1
  Fe  Fe40  1  0.686227  0.455011  0.380556  1
  Fe  Fe41  1  0.674764  0.105972  0.411081  1
  Fe  Fe42  1  0.671179  0.757159  0.441438  1
  Fe  Fe43  1  0.142414  0.139396  0.438851  1
  Fe  Fe44  1  0.163929  0.836984  0.378268  1
  Fe  Fe45  1  0.154520  0.488358  0.408425  1
  Fe  Fe46  1  0.340828  0.362952  0.405690  1
  Fe  Fe47  1  0.329511  0.013913  0.436121  1
  Fe  Fe48  1  0.353021  0.711627  0.375412  1
  Fe  Fe49  1  0.673740  0.319037  0.367350  1
  Fe  Fe50  1  0.667282  0.970255  0.397396  1
  Fe  Fe51  1  0.662281  0.620919  0.427941  1
  Fe  Fe52  1  0.487980  0.231355  0.413732  1
  Fe  Fe53  1  0.483737  0.882765  0.444224  1
  Fe  Fe54  1  0.499944  0.580484  0.383394  1
  Fe  Fe55  1  0.659904  0.176274  0.367701  1
  Fe  Fe56  1  0.657411  0.827185  0.398158  1
  Fe  Fe57  1  0.649105  0.478299  0.428207  1
  Fe  Fe58  1  0.154508  0.275315  0.452127  1
  Fe  Fe59  1  0.169747  0.973011  0.391865  1
  Fe  Fe60  1  0.164301  0.624313  0.421932  1
  Fe  Fe61  1  0.814263  0.309031  0.510394  1
  Fe  Fe62  1  0.803169  0.960105  0.540754  1
  Fe  Fe63  1  0.820600  0.657990  0.480066  1
  Fe  Fe64  1  0.969690  0.191763  0.490979  1
  Fe  Fe65  1  0.963353  0.842804  0.521307  1
  Fe  Fe66  1  0.980783  0.540689  0.460618  1
  Fe  Fe67  1  0.145931  0.371410  0.542779  1
  Fe  Fe68  1  0.157520  0.069262  0.482209  1
  Fe  Fe69  1  0.152196  0.720295  0.512467  1
  Fe  Fe70  1  0.663500  0.408190  0.471576  1
  Fe  Fe71  1  0.652609  0.059237  0.502005  1
  Fe  Fe72  1  0.645510  0.710454  0.532291  1
  Fe  Fe73  1  0.120453  0.092604  0.529796  1
  Fe  Fe74  1  0.138443  0.790340  0.469081  1
  Fe  Fe75  1  0.131344  0.441557  0.499368  1
  Fe  Fe76  1  0.318009  0.316137  0.496661  1
  Fe  Fe77  1  0.307304  0.967111  0.527022  1
  Fe  Fe78  1  0.325747  0.664763  0.466314  1
  Fe  Fe79  1  0.651699  0.272255  0.458319  1
  Fe  Fe80  1  0.643848  0.923336  0.488452  1
  Fe  Fe81  1  0.637712  0.574317  0.518738  1
  Fe  Fe82  1  0.465943  0.184657  0.504711  1
  Fe  Fe83  1  0.458205  0.836031  0.535058  1
  Fe  Fe84  1  0.476649  0.533684  0.474351  1
  Fe  Fe85  1  0.638022  0.129384  0.458593  1
  Fe  Fe86  1  0.631757  0.780499  0.488906  1
  Fe  Fe87  1  0.626432  0.431532  0.519164  1
  Fe  Fe88  1  0.132253  0.228539  0.543054  1
  Fe  Fe89  1  0.146240  0.926477  0.482635  1
  Fe  Fe90  1  0.140105  0.577458  0.512921  1
  Fe  Fe91  1  0.792771  0.262076  0.601350  1
  Fe  Fe92  1  0.779052  0.913290  0.631651  1
  Fe  Fe93  1  0.795158  0.611147  0.570909  1
  Fe  Fe94  1  0.947106  0.144921  0.581951  1
  Fe  Fe95  1  0.937401  0.795916  0.612187  1
  Fe  Fe96  1  0.958111  0.494127  0.551535  1
  Fe  Fe97  1  0.124049  0.324520  0.633671  1
  Fe  Fe98  1  0.134847  0.022495  0.573166  1
  Fe  Fe99  1  0.126542  0.673610  0.603214  1
  Fe  Fe100  1  0.641539  0.361398  0.562522  1
  Fe  Fe101  1  0.629433  0.012436  0.592947  1
  Fe  Fe102  1  0.620024  0.663810  0.623105  1
  Fe  Fe103  1  0.097726  0.045783  0.620817  1
  Fe  Fe104  1  0.112774  0.743635  0.559934  1
  Fe  Fe105  1  0.109189  0.394822  0.590292  1
  Fe  Fe106  1  0.295972  0.269439  0.587641  1
  Fe  Fe107  1  0.284009  0.920310  0.617979  1
  Fe  Fe108  1  0.300216  0.618029  0.557149  1
  Fe  Fe109  1  0.629445  0.225479  0.549246  1
  Fe  Fe110  1  0.619652  0.876481  0.579440  1
  Fe  Fe111  1  0.614206  0.527783  0.609508  1
  Fe  Fe112  1  0.443124  0.137842  0.595683  1
  Fe  Fe113  1  0.430932  0.789168  0.625961  1
  Fe  Fe114  1  0.454442  0.486881  0.565252  1
  Fe  Fe115  1  0.615412  0.082654  0.549534  1
  Fe  Fe116  1  0.605724  0.733811  0.579734  1
  Fe  Fe117  1  0.606049  0.384646  0.610130  1
  Fe  Fe118  1  0.110212  0.181757  0.634023  1
  Fe  Fe119  1  0.121672  0.879875  0.573431  1
  Fe  Fe120  1  0.116671  0.530539  0.603977  1
  Fe  Fe121  1  0.774020  0.215839  0.692468  1
  Fe  Fe122  1  0.741901  0.874017  0.722542  1
  Fe  Fe123  1  0.765868  0.563054  0.661443  1
  Fe  Fe124  1  0.923090  0.098172  0.672731  1
  Fe  Fe125  1  0.904227  0.749724  0.702812  1
  Fe  Fe126  1  0.938336  0.447787  0.642454  1
  Fe  Fe127  1  0.113020  0.284769  0.724080  1
  Fe  Fe128  1  0.110801  0.975325  0.664091  1
  Fe  Fe129  1  0.093689  0.627694  0.691167  1
  Fe  Fe130  1  0.620508  0.314606  0.653474  1
  Fe  Fe131  1  0.602447  0.965163  0.684053  1
  Fe  Fe132  1  0.600021  0.617024  0.713390  1
  Fe  Fe133  1  0.072713  0.998601  0.710932  1
  Fe  Fe134  1  0.086897  0.697022  0.650483  1
  Fe  Fe135  1  0.095170  0.349064  0.680700  1
  Fe  Fe136  1  0.276662  0.223508  0.678570  1
  Fe  Fe137  1  0.256232  0.870943  0.708549  1
  Fe  Fe138  1  0.275389  0.570920  0.647808  1
  Fe  Fe139  1  0.607752  0.178709  0.640235  1
  Fe  Fe140  1  0.591310  0.828699  0.670490  1
  Fe  Fe141  1  0.601341  0.482689  0.700290  1
  Fe  Fe142  1  0.417424  0.092963  0.686832  1
  Fe  Fe143  1  0.374631  0.731956  0.717413  1
  Fe  Fe144  1  0.437650  0.439728  0.655985  1
  Fe  Fe145  1  0.592650  0.035781  0.640512  1
  Fe  Fe146  1  0.575004  0.686677  0.670325  1
  Fe  Fe147  1  0.600236  0.339369  0.701952  1
  Fe  Fe148  1  0.085272  0.139386  0.721555  1
  Fe  Fe149  1  0.096310  0.832517  0.664271  1
  Fe  Fe150  1  0.095500  0.484262  0.694859  1
  C  C151  1  0.513522  0.408094  0.349149  1
  C  C152  1  0.513285  0.104887  0.289353  1
  C  C153  1  0.532799  0.758455  0.318997  1
  C  C154  1  0.845420  0.252213  0.341978  1
  C  C155  1  0.850389  0.943778  0.282254  1
  C  C156  1  0.862906  0.601812  0.311854  1
  C  C157  1  0.029677  0.435880  0.295770  1
  C  C158  1  0.010661  0.086660  0.325947  1
  C  C159  1  0.015893  0.737656  0.356288  1
  C  C160  1  0.355208  0.276752  0.288360  1
  C  C161  1  0.362080  0.932054  0.319005  1
  C  C162  1  0.350139  0.582208  0.348915  1
  C  C163  1  0.491126  0.361324  0.440153  1
  C  C164  1  0.500879  0.059263  0.379698  1
  C  C165  1  0.500951  0.710202  0.409951  1
  C  C166  1  0.824630  0.205571  0.432988  1
  C  C167  1  0.845560  0.903034  0.372542  1
  C  C168  1  0.836410  0.554450  0.402624  1
  C  C169  1  0.004178  0.388954  0.386478  1
  C  C170  1  0.992879  0.039881  0.416898  1
  C  C171  1  0.989006  0.690899  0.447149  1
  C  C172  1  0.336751  0.232996  0.379298  1
  C  C173  1  0.334417  0.884058  0.409730  1
  C  C174  1  0.326369  0.535069  0.439884  1
  C  C175  1  0.468555  0.314572  0.531118  1
  C  C176  1  0.480357  0.012472  0.470568  1
  C  C177  1  0.475013  0.663498  0.500814  1
  C  C178  1  0.802639  0.158764  0.523938  1
  C  C179  1  0.820521  0.856569  0.463371  1
  C  C180  1  0.813305  0.507674  0.493559  1
  C  C181  1  0.981314  0.342030  0.477435  1
  C  C182  1  0.970648  0.993120  0.507813  1
  C  C183  1  0.963432  0.644225  0.538001  1
  C  C184  1  0.315398  0.186222  0.470255  1
  C  C185  1  0.308940  0.837296  0.500559  1
  C  C186  1  0.303596  0.488322  0.530805  1
  C  C187  1  0.447202  0.267798  0.622075  1
  C  C188  1  0.457584  0.965725  0.561489  1
  C  C189  1  0.449535  0.616737  0.591642  1
  C  C190  1  0.779775  0.111841  0.614895  1
  C  C191  1  0.794947  0.809896  0.554224  1
  C  C192  1  0.791073  0.460913  0.584474  1
  C  C193  1  0.959323  0.295223  0.568385  1
  C  C194  1  0.947542  0.946344  0.598748  1
  C  C195  1  0.938392  0.597760  0.628831  1
  C  C196  1  0.292827  0.139470  0.561219  1
  C  C197  1  0.283001  0.790592  0.591421  1
  C  C198  1  0.283074  0.441531  0.621675  1
  C  C199  1  0.428744  0.224042  0.713012  1
  C  C200  1  0.433813  0.918586  0.652458  1
  C  C201  1  0.421873  0.568740  0.682368  1
  C  C202  1  0.754276  0.064914  0.705603  1
  C  C203  1  0.768060  0.763138  0.645084  1
  C  C204  1  0.773292  0.414134  0.675425  1
  C  C205  1  0.938532  0.248581  0.659394  1
  C  C206  1  0.921046  0.898982  0.689519  1
  C  C207  1  0.933564  0.557016  0.719118  1
  C  C208  1  0.270430  0.092700  0.652223  1
  C  C209  1  0.251153  0.742339  0.682376  1
  C  C210  1  0.270668  0.395907  0.712020  1
