# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79762078
_cell_length_b   15.87856906
_cell_length_c   53.38137824
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe180 C72'
_cell_volume   4066.55885355
_cell_formula_units_Z   36
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  0.424527  0.115420  0.376755  1
  Fe  Fe2  1  0.425488  0.334066  0.321235  1
  Fe  Fe3  1  0.437374  0.548430  0.265279  1
  Fe  Fe4  1  0.927952  0.805178  0.280500  1
  Fe  Fe5  1  0.924974  0.367657  0.391475  1
  Fe  Fe6  1  0.925391  0.586496  0.335962  1
  Fe  Fe7  1  0.611174  0.688527  0.279594  1
  Fe  Fe8  1  0.608931  0.251259  0.390779  1
  Fe  Fe9  1  0.608858  0.469846  0.335299  1
  Fe  Fe10  1  0.122004  0.667910  0.266018  1
  Fe  Fe11  1  0.108884  0.231679  0.377314  1
  Fe  Fe12  1  0.109714  0.450801  0.321493  1
  Fe  Fe13  1  0.891145  0.122428  0.405136  1
  Fe  Fe14  1  0.891712  0.340965  0.349794  1
  Fe  Fe15  1  0.895234  0.558929  0.294491  1
  Fe  Fe16  1  0.415642  0.793621  0.252328  1
  Fe  Fe17  1  0.391755  0.360606  0.363065  1
  Fe  Fe18  1  0.392028  0.578736  0.307456  1
  Fe  Fe19  1  0.575199  1.006321  0.404548  1
  Fe  Fe20  1  0.575246  0.224648  0.348967  1
  Fe  Fe21  1  0.577673  0.444851  0.293991  1
  Fe  Fe22  1  0.076757  0.694950  0.308067  1
  Fe  Fe23  1  0.082064  0.911373  0.251617  1
  Fe  Fe24  1  0.076178  0.476541  0.363540  1
  Fe  Fe25  1  0.973609  0.046115  0.370243  1
  Fe  Fe26  1  0.971649  0.264313  0.314852  1
  Fe  Fe27  1  0.975429  0.484587  0.258692  1
  Fe  Fe28  1  0.023784  0.936854  0.397943  1
  Fe  Fe29  1  0.022292  0.155526  0.342285  1
  Fe  Fe30  1  0.028502  0.373912  0.287229  1
  Fe  Fe31  1  0.921154  0.944851  0.293991  1
  Fe  Fe32  1  0.923628  0.506321  0.404548  1
  Fe  Fe33  1  0.923581  0.724648  0.348967  1
  Fe  Fe34  1  0.422649  0.976541  0.363540  1
  Fe  Fe35  1  0.422070  0.194950  0.308067  1
  Fe  Fe36  1  0.416763  0.411373  0.251617  1
  Fe  Fe37  1  0.107072  0.860606  0.363065  1
  Fe  Fe38  1  0.106800  0.078736  0.307456  1
  Fe  Fe39  1  0.083185  0.293621  0.252328  1
  Fe  Fe40  1  0.607115  0.840965  0.349794  1
  Fe  Fe41  1  0.603593  0.058929  0.294491  1
  Fe  Fe42  1  0.607682  0.622428  0.405136  1
  Fe  Fe43  1  0.389113  0.950801  0.321493  1
  Fe  Fe44  1  0.376823  0.167910  0.266018  1
  Fe  Fe45  1  0.389944  0.731679  0.377314  1
  Fe  Fe46  1  0.889970  0.969846  0.335299  1
  Fe  Fe47  1  0.887653  0.188527  0.279594  1
  Fe  Fe48  1  0.889896  0.751259  0.390779  1
  Fe  Fe49  1  0.073339  0.834066  0.321235  1
  Fe  Fe50  1  0.061453  0.048430  0.265279  1
  Fe  Fe51  1  0.074301  0.615420  0.376755  1
  Fe  Fe52  1  0.573854  0.867657  0.391475  1
  Fe  Fe53  1  0.573436  0.086496  0.335962  1
  Fe  Fe54  1  0.570875  0.305178  0.280500  1
  Fe  Fe55  1  0.470326  0.873912  0.287229  1
  Fe  Fe56  1  0.475043  0.436854  0.397943  1
  Fe  Fe57  1  0.476536  0.655526  0.342285  1
  Fe  Fe58  1  0.527178  0.764313  0.314852  1
  Fe  Fe59  1  0.523398  0.984587  0.258692  1
  Fe  Fe60  1  0.525218  0.546115  0.370243  1
  Fe  Fe61  1  0.424180  0.459616  0.543338  1
  Fe  Fe62  1  0.424083  0.678241  0.487807  1
  Fe  Fe63  1  0.424107  0.896867  0.432287  1
  Fe  Fe64  1  0.924180  0.148875  0.446933  1
  Fe  Fe65  1  0.924107  0.711625  0.557984  1
  Fe  Fe66  1  0.924083  0.930250  0.502464  1
  Fe  Fe67  1  0.608379  0.032658  0.446330  1
  Fe  Fe68  1  0.608409  0.595382  0.557397  1
  Fe  Fe69  1  0.608254  0.814017  0.501858  1
  Fe  Fe70  1  0.108409  0.013110  0.432874  1
  Fe  Fe71  1  0.108379  0.575833  0.543941  1
  Fe  Fe72  1  0.108254  0.794474  0.488413  1
  Fe  Fe73  1  0.891117  0.466585  0.571709  1
  Fe  Fe74  1  0.890834  0.685164  0.516177  1
  Fe  Fe75  1  0.890823  0.903797  0.460670  1
  Fe  Fe76  1  0.391117  0.141907  0.418562  1
  Fe  Fe77  1  0.390823  0.704694  0.529602  1
  Fe  Fe78  1  0.390834  0.923328  0.474094  1
  Fe  Fe79  1  0.575277  0.350399  0.571130  1
  Fe  Fe80  1  0.575004  0.568980  0.515593  1
  Fe  Fe81  1  0.574922  0.787595  0.460057  1
  Fe  Fe82  1  0.075004  0.039512  0.474678  1
  Fe  Fe83  1  0.075277  0.258093  0.419141  1
  Fe  Fe84  1  0.074922  0.820897  0.530214  1
  Fe  Fe85  1  0.974659  0.390267  0.536800  1
  Fe  Fe86  1  0.974415  0.608899  0.481260  1
  Fe  Fe87  1  0.973911  0.827509  0.425759  1
  Fe  Fe88  1  0.024917  0.280983  0.564512  1
  Fe  Fe89  1  0.024412  0.499592  0.509011  1
  Fe  Fe90  1  0.024168  0.718224  0.453471  1
  Fe  Fe91  1  0.923906  0.287595  0.460057  1
  Fe  Fe92  1  0.923550  0.850399  0.571130  1
  Fe  Fe93  1  0.923823  0.068980  0.515593  1
  Fe  Fe94  1  0.423906  0.320897  0.530214  1
  Fe  Fe95  1  0.423823  0.539512  0.474678  1
  Fe  Fe96  1  0.423550  0.758093  0.419141  1
  Fe  Fe97  1  0.108004  0.204694  0.529602  1
  Fe  Fe98  1  0.107993  0.423328  0.474094  1
  Fe  Fe99  1  0.107710  0.641907  0.418562  1
  Fe  Fe100  1  0.607993  0.185164  0.516177  1
  Fe  Fe101  1  0.608004  0.403797  0.460670  1
  Fe  Fe102  1  0.607710  0.966585  0.571709  1
  Fe  Fe103  1  0.390574  0.294474  0.488413  1
  Fe  Fe104  1  0.390418  0.513110  0.432874  1
  Fe  Fe105  1  0.390448  0.075833  0.543941  1
  Fe  Fe106  1  0.890574  0.314017  0.501858  1
  Fe  Fe107  1  0.890448  0.532658  0.446330  1
  Fe  Fe108  1  0.890418  0.095382  0.557397  1
  Fe  Fe109  1  0.074744  0.178241  0.487807  1
  Fe  Fe110  1  0.074720  0.396867  0.432287  1
  Fe  Fe111  1  0.074647  0.959616  0.543338  1
  Fe  Fe112  1  0.574720  0.211625  0.557984  1
  Fe  Fe113  1  0.574744  0.430250  0.502464  1
  Fe  Fe114  1  0.574647  0.648875  0.446933  1
  Fe  Fe115  1  0.474659  0.218224  0.453471  1
  Fe  Fe116  1  0.473911  0.780983  0.564512  1
  Fe  Fe117  1  0.474415  0.999592  0.509011  1
  Fe  Fe118  1  0.524412  0.108899  0.481260  1
  Fe  Fe119  1  0.524917  0.327509  0.425759  1
  Fe  Fe120  1  0.524168  0.890267  0.536800  1
  Fe  Fe121  1  0.427952  0.803313  0.709771  1
  Fe  Fe122  1  0.425391  0.021995  0.654309  1
  Fe  Fe123  1  0.424974  0.240834  0.598797  1
  Fe  Fe124  1  0.924527  0.493071  0.613516  1
  Fe  Fe125  1  0.937374  0.060061  0.724992  1
  Fe  Fe126  1  0.925488  0.274425  0.669036  1
  Fe  Fe127  1  0.608884  0.376812  0.612957  1
  Fe  Fe128  1  0.622004  0.940582  0.724254  1
  Fe  Fe129  1  0.609714  0.157690  0.668779  1
  Fe  Fe130  1  0.108931  0.357232  0.599492  1
  Fe  Fe131  1  0.111174  0.919964  0.710677  1
  Fe  Fe132  1  0.108858  0.138645  0.654972  1
  Fe  Fe133  1  0.915642  0.814870  0.737944  1
  Fe  Fe134  1  0.892028  0.029755  0.682815  1
  Fe  Fe135  1  0.891755  0.247886  0.627206  1
  Fe  Fe136  1  0.391145  0.486063  0.585135  1
  Fe  Fe137  1  0.395234  0.049563  0.695780  1
  Fe  Fe138  1  0.391712  0.267526  0.640477  1
  Fe  Fe139  1  0.582064  0.697119  0.738655  1
  Fe  Fe140  1  0.576757  0.913541  0.682204  1
  Fe  Fe141  1  0.576178  0.131951  0.626731  1
  Fe  Fe142  1  0.075246  0.383843  0.641304  1
  Fe  Fe143  1  0.075199  0.602171  0.585723  1
  Fe  Fe144  1  0.077673  0.163640  0.696280  1
  Fe  Fe145  1  0.970326  0.734579  0.703042  1
  Fe  Fe146  1  0.976536  0.952966  0.647986  1
  Fe  Fe147  1  0.975043  0.171638  0.592329  1
  Fe  Fe148  1  0.023398  0.623904  0.731579  1
  Fe  Fe149  1  0.027178  0.844178  0.675419  1
  Fe  Fe150  1  0.025218  0.062376  0.620029  1
  Fe  Fe151  1  0.922649  0.631951  0.626731  1
  Fe  Fe152  1  0.916763  0.197119  0.738655  1
  Fe  Fe153  1  0.922070  0.413541  0.682204  1
  Fe  Fe154  1  0.421154  0.663640  0.696280  1
  Fe  Fe155  1  0.423581  0.883843  0.641304  1
  Fe  Fe156  1  0.423628  0.102171  0.585723  1
  Fe  Fe157  1  0.103593  0.549563  0.695780  1
  Fe  Fe158  1  0.107115  0.767526  0.640477  1
  Fe  Fe159  1  0.107682  0.986063  0.585135  1
  Fe  Fe160  1  0.606800  0.529755  0.682815  1
  Fe  Fe161  1  0.607072  0.747886  0.627206  1
  Fe  Fe162  1  0.583185  0.314870  0.737944  1
  Fe  Fe163  1  0.389970  0.638645  0.654972  1
  Fe  Fe164  1  0.389896  0.857232  0.599492  1
  Fe  Fe165  1  0.387653  0.419964  0.710677  1
  Fe  Fe166  1  0.889113  0.657690  0.668779  1
  Fe  Fe167  1  0.889944  0.876812  0.612957  1
  Fe  Fe168  1  0.876823  0.440582  0.724254  1
  Fe  Fe169  1  0.073436  0.521995  0.654309  1
  Fe  Fe170  1  0.073854  0.740834  0.598797  1
  Fe  Fe171  1  0.070875  0.303313  0.709771  1
  Fe  Fe172  1  0.561453  0.560061  0.724992  1
  Fe  Fe173  1  0.573339  0.774425  0.669036  1
  Fe  Fe174  1  0.574301  0.993071  0.613516  1
  Fe  Fe175  1  0.473609  0.562376  0.620029  1
  Fe  Fe176  1  0.475429  0.123904  0.731579  1
  Fe  Fe177  1  0.471649  0.344178  0.675419  1
  Fe  Fe178  1  0.522292  0.452966  0.647986  1
  Fe  Fe179  1  0.523784  0.671638  0.592329  1
  Fe  Fe180  1  0.528502  0.234579  0.703042  1
  C  C181  1  0.708871  0.873642  0.258288  1
  C  C182  1  0.706071  0.433407  0.368511  1
  C  C183  1  0.706655  0.651524  0.312797  1
  C  C184  1  0.205093  0.049536  0.399644  1
  C  C185  1  0.205537  0.268218  0.344094  1
  C  C186  1  0.206775  0.485922  0.288126  1
  C  C187  1  0.801415  0.597110  0.261392  1
  C  C188  1  0.794406  0.158916  0.371915  1
  C  C189  1  0.795865  0.377390  0.316552  1
  C  C190  1  0.297204  0.761204  0.285360  1
  C  C191  1  0.294756  0.324052  0.396276  1
  C  C192  1  0.295251  0.542893  0.340746  1
  C  C193  1  0.203577  0.042893  0.340746  1
  C  C194  1  0.201623  0.261204  0.285360  1
  C  C195  1  0.204071  0.824052  0.396276  1
  C  C196  1  0.702962  0.877390  0.316552  1
  C  C197  1  0.697412  0.097110  0.261392  1
  C  C198  1  0.704421  0.658916  0.371915  1
  C  C199  1  0.293290  0.768218  0.344094  1
  C  C200  1  0.292052  0.985922  0.288126  1
  C  C201  1  0.293734  0.549536  0.399644  1
  C  C202  1  0.792756  0.933407  0.368511  1
  C  C203  1  0.792172  0.151524  0.312797  1
  C  C204  1  0.789956  0.373642  0.258288  1
  C  C205  1  0.705230  0.214774  0.424011  1
  C  C206  1  0.704933  0.777532  0.535081  1
  C  C207  1  0.705011  0.996158  0.479553  1
  C  C208  1  0.205230  0.393718  0.566260  1
  C  C209  1  0.205011  0.612333  0.510718  1
  C  C210  1  0.204933  0.830960  0.455190  1
  C  C211  1  0.794033  0.940325  0.427453  1
  C  C212  1  0.794127  0.503029  0.538488  1
  C  C213  1  0.794027  0.721660  0.482958  1
  C  C214  1  0.294127  0.105462  0.451783  1
  C  C215  1  0.294033  0.668166  0.562818  1
  C  C216  1  0.294027  0.886831  0.507314  1
  C  C217  1  0.204800  0.386831  0.507314  1
  C  C218  1  0.204700  0.605462  0.451783  1
  C  C219  1  0.204795  0.168166  0.562818  1
  C  C220  1  0.704800  0.221660  0.482958  1
  C  C221  1  0.704795  0.440325  0.427453  1
  C  C222  1  0.704700  1.003029  0.538488  1
  C  C223  1  0.293817  0.112333  0.510718  1
  C  C224  1  0.293894  0.330960  0.455190  1
  C  C225  1  0.293597  0.893718  0.566260  1
  C  C226  1  0.793894  0.277532  0.535081  1
  C  C227  1  0.793817  0.496158  0.479553  1
  C  C228  1  0.793597  0.714774  0.424011  1
  C  C229  1  0.705093  0.558956  0.590627  1
  C  C230  1  0.706775  0.122570  0.702145  1
  C  C231  1  0.705537  0.340274  0.646177  1
  C  C232  1  0.208871  0.734850  0.731983  1
  C  C233  1  0.206655  0.956968  0.677475  1
  C  C234  1  0.206071  0.175084  0.621761  1
  C  C235  1  0.794756  0.284440  0.593996  1
  C  C236  1  0.797204  0.847287  0.704912  1
  C  C237  1  0.795251  0.065598  0.649526  1
  C  C238  1  0.294406  0.449575  0.618357  1
  C  C239  1  0.301415  0.011381  0.728879  1
  C  C240  1  0.295865  0.231101  0.673719  1
  C  C241  1  0.202962  0.731101  0.673719  1
  C  C242  1  0.204421  0.949575  0.618357  1
  C  C243  1  0.197412  0.511381  0.728879  1
  C  C244  1  0.703577  0.565598  0.649526  1
  C  C245  1  0.704071  0.784440  0.593996  1
  C  C246  1  0.701623  0.347287  0.704912  1
  C  C247  1  0.292172  0.456968  0.677475  1
  C  C248  1  0.292756  0.675084  0.621761  1
  C  C249  1  0.289956  0.234850  0.731983  1
  C  C250  1  0.792052  0.622570  0.702145  1
  C  C251  1  0.793290  0.840274  0.646177  1
  C  C252  1  0.793734  0.058956  0.590627  1
