# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56458098
_cell_length_b   17.74734249
_cell_length_c   50.42804480
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.55506733
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe180 C72'
_cell_volume   4072.84772358
_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  0.711622  0.865167  0.321738  1
  Fe  Fe2  1  0.781638  0.646048  0.265880  1
  Fe  Fe3  1  0.638655  0.085248  0.377297  1
  Fe  Fe4  1  0.941385  0.519948  0.409054  1
  Fe  Fe5  1  0.013387  0.300202  0.353573  1
  Fe  Fe6  1  0.085211  0.080396  0.298303  1
  Fe  Fe7  1  0.449860  0.890368  0.278750  1
  Fe  Fe8  1  0.307247  0.329685  0.390779  1
  Fe  Fe9  1  0.378334  0.110020  0.335292  1
  Fe  Fe10  1  0.375921  0.974536  0.319395  1
  Fe  Fe11  1  0.442310  0.755989  0.263740  1
  Fe  Fe12  1  0.302471  0.194819  0.374833  1
  Fe  Fe13  1  0.927754  0.801007  0.275267  1
  Fe  Fe14  1  0.785132  0.242471  0.387007  1
  Fe  Fe15  1  0.857780  0.022316  0.331603  1
  Fe  Fe16  1  0.931577  0.938192  0.292420  1
  Fe  Fe17  1  0.790082  0.377404  0.402951  1
  Fe  Fe18  1  0.862091  0.157779  0.347392  1
  Fe  Fe19  1  0.223119  0.832670  0.312828  1
  Fe  Fe20  1  0.285028  0.611427  0.256748  1
  Fe  Fe21  1  0.151154  0.052224  0.368759  1
  Fe  Fe22  1  0.595956  0.047304  0.289619  1
  Fe  Fe23  1  0.454035  0.486952  0.400531  1
  Fe  Fe24  1  0.525303  0.267633  0.344865  1
  Fe  Fe25  1  0.902016  0.713295  0.307203  1
  Fe  Fe26  1  0.975719  0.493727  0.252376  1
  Fe  Fe27  1  0.830678  0.933028  0.362765  1
  Fe  Fe28  1  0.334638  0.919191  0.359552  1
  Fe  Fe29  1  0.407551  0.699686  0.304009  1
  Fe  Fe30  1  0.262450  0.139018  0.415020  1
  Fe  Fe31  1  0.638655  0.585248  0.377297  1
  Fe  Fe32  1  0.711622  0.365167  0.321738  1
  Fe  Fe33  1  0.781638  0.146048  0.265880  1
  Fe  Fe34  1  0.013387  0.800202  0.353573  1
  Fe  Fe35  1  0.085211  0.580396  0.298303  1
  Fe  Fe36  1  0.941385  0.019948  0.409054  1
  Fe  Fe37  1  0.307247  0.829685  0.390779  1
  Fe  Fe38  1  0.378334  0.610020  0.335292  1
  Fe  Fe39  1  0.449860  0.390368  0.278750  1
  Fe  Fe40  1  0.302471  0.694819  0.374833  1
  Fe  Fe41  1  0.375921  0.474536  0.319395  1
  Fe  Fe42  1  0.442310  0.255989  0.263740  1
  Fe  Fe43  1  0.785132  0.742471  0.387007  1
  Fe  Fe44  1  0.857780  0.522316  0.331603  1
  Fe  Fe45  1  0.927754  0.301007  0.275267  1
  Fe  Fe46  1  0.862091  0.657779  0.347392  1
  Fe  Fe47  1  0.931577  0.438192  0.292420  1
  Fe  Fe48  1  0.790082  0.877404  0.402951  1
  Fe  Fe49  1  0.285028  0.111427  0.256748  1
  Fe  Fe50  1  0.151154  0.552224  0.368759  1
  Fe  Fe51  1  0.223119  0.332670  0.312828  1
  Fe  Fe52  1  0.525303  0.767633  0.344865  1
  Fe  Fe53  1  0.595956  0.547304  0.289619  1
  Fe  Fe54  1  0.454035  0.986952  0.400531  1
  Fe  Fe55  1  0.975719  0.993727  0.252376  1
  Fe  Fe56  1  0.830678  0.433028  0.362765  1
  Fe  Fe57  1  0.902016  0.213295  0.307203  1
  Fe  Fe58  1  0.262450  0.639018  0.415020  1
  Fe  Fe59  1  0.334638  0.419191  0.359552  1
  Fe  Fe60  1  0.407551  0.199686  0.304009  1
  Fe  Fe61  1  0.495078  0.524692  0.488325  1
  Fe  Fe62  1  0.566807  0.304913  0.432803  1
  Fe  Fe63  1  0.423312  0.744411  0.543848  1
  Fe  Fe64  1  0.726186  0.179164  0.575612  1
  Fe  Fe65  1  0.797862  0.959419  0.520088  1
  Fe  Fe66  1  0.869652  0.739668  0.464576  1
  Fe  Fe67  1  0.235479  0.549445  0.446287  1
  Fe  Fe68  1  0.091903  0.988934  0.557311  1
  Fe  Fe69  1  0.163706  0.769186  0.501801  1
  Fe  Fe70  1  0.158929  0.634263  0.485891  1
  Fe  Fe71  1  0.230617  0.414506  0.430384  1
  Fe  Fe72  1  0.087139  0.853985  0.541403  1
  Fe  Fe73  1  0.713583  0.462228  0.442555  1
  Fe  Fe74  1  0.570007  0.901716  0.553579  1
  Fe  Fe75  1  0.641781  0.681975  0.498065  1
  Fe  Fe76  1  0.718347  0.597176  0.458463  1
  Fe  Fe77  1  0.574869  0.036655  0.569482  1
  Fe  Fe78  1  0.646557  0.816898  0.513976  1
  Fe  Fe79  1  0.007624  0.491742  0.479779  1
  Fe  Fe80  1  0.079300  0.271997  0.424254  1
  Fe  Fe81  1  0.935835  0.711493  0.535290  1
  Fe  Fe82  1  0.382174  0.706751  0.456018  1
  Fe  Fe83  1  0.238679  0.146248  0.567063  1
  Fe  Fe84  1  0.310408  0.926469  0.511541  1
  Fe  Fe85  1  0.686551  0.372650  0.473814  1
  Fe  Fe86  1  0.758381  0.152908  0.418283  1
  Fe  Fe87  1  0.614819  0.592393  0.529326  1
  Fe  Fe88  1  0.118935  0.578511  0.526052  1
  Fe  Fe89  1  0.190667  0.358768  0.470540  1
  Fe  Fe90  1  0.047105  0.798253  0.581583  1
  Fe  Fe91  1  0.423312  0.244411  0.543848  1
  Fe  Fe92  1  0.495078  0.024692  0.488325  1
  Fe  Fe93  1  0.566807  0.804913  0.432803  1
  Fe  Fe94  1  0.797862  0.459419  0.520088  1
  Fe  Fe95  1  0.869652  0.239668  0.464576  1
  Fe  Fe96  1  0.726186  0.679164  0.575612  1
  Fe  Fe97  1  0.091903  0.488934  0.557311  1
  Fe  Fe98  1  0.163706  0.269186  0.501801  1
  Fe  Fe99  1  0.235479  0.049445  0.446287  1
  Fe  Fe100  1  0.087139  0.353985  0.541403  1
  Fe  Fe101  1  0.158929  0.134263  0.485891  1
  Fe  Fe102  1  0.230617  0.914506  0.430384  1
  Fe  Fe103  1  0.570007  0.401716  0.553579  1
  Fe  Fe104  1  0.641781  0.181975  0.498065  1
  Fe  Fe105  1  0.713583  0.962228  0.442555  1
  Fe  Fe106  1  0.646557  0.316898  0.513976  1
  Fe  Fe107  1  0.718347  0.097176  0.458463  1
  Fe  Fe108  1  0.574869  0.536655  0.569482  1
  Fe  Fe109  1  0.079300  0.771997  0.424254  1
  Fe  Fe110  1  0.935835  0.211493  0.535290  1
  Fe  Fe111  1  0.007624  0.991742  0.479779  1
  Fe  Fe112  1  0.310408  0.426469  0.511541  1
  Fe  Fe113  1  0.382174  0.206751  0.456018  1
  Fe  Fe114  1  0.238679  0.646248  0.567063  1
  Fe  Fe115  1  0.758381  0.652908  0.418283  1
  Fe  Fe116  1  0.614819  0.092393  0.529326  1
  Fe  Fe117  1  0.686551  0.872650  0.473814  1
  Fe  Fe118  1  0.047105  0.298253  0.581583  1
  Fe  Fe119  1  0.118935  0.078511  0.526052  1
  Fe  Fe120  1  0.190667  0.858768  0.470540  1
  Fe  Fe121  1  0.280183  0.183528  0.655001  1
  Fe  Fe122  1  0.351451  0.964209  0.599335  1
  Fe  Fe123  1  0.209530  0.403857  0.710247  1
  Fe  Fe124  1  0.520458  0.839734  0.743118  1
  Fe  Fe125  1  0.582368  0.618491  0.687039  1
  Fe  Fe126  1  0.654332  0.398937  0.631108  1
  Fe  Fe127  1  0.020355  0.208690  0.612859  1
  Fe  Fe128  1  0.877732  0.650154  0.724600  1
  Fe  Fe129  1  0.947707  0.428845  0.668263  1
  Fe  Fe130  1  0.943395  0.293382  0.652474  1
  Fe  Fe131  1  0.015404  0.073757  0.596915  1
  Fe  Fe132  1  0.873909  0.512969  0.707446  1
  Fe  Fe133  1  0.498239  0.121476  0.609087  1
  Fe  Fe134  1  0.355626  0.560793  0.721117  1
  Fe  Fe135  1  0.427152  0.341142  0.664574  1
  Fe  Fe136  1  0.503015  0.256342  0.625033  1
  Fe  Fe137  1  0.363176  0.695173  0.736126  1
  Fe  Fe138  1  0.429565  0.476625  0.680471  1
  Fe  Fe139  1  0.792099  0.150959  0.646293  1
  Fe  Fe140  1  0.864101  0.931213  0.590812  1
  Fe  Fe141  1  0.720275  0.370765  0.701563  1
  Fe  Fe142  1  0.166831  0.365913  0.622569  1
  Fe  Fe143  1  0.023849  0.805113  0.733986  1
  Fe  Fe144  1  0.093864  0.585994  0.678129  1
  Fe  Fe145  1  0.470848  0.031970  0.640315  1
  Fe  Fe146  1  0.543036  0.812144  0.584846  1
  Fe  Fe147  1  0.397936  0.251475  0.695857  1
  Fe  Fe148  1  0.903470  0.237866  0.692663  1
  Fe  Fe149  1  0.974808  0.018133  0.637101  1
  Fe  Fe150  1  0.829767  0.457434  0.747490  1
  Fe  Fe151  1  0.209530  0.903857  0.710247  1
  Fe  Fe152  1  0.280183  0.683528  0.655001  1
  Fe  Fe153  1  0.351451  0.464209  0.599335  1
  Fe  Fe154  1  0.582368  0.118491  0.687039  1
  Fe  Fe155  1  0.654332  0.898937  0.631108  1
  Fe  Fe156  1  0.520458  0.339734  0.743118  1
  Fe  Fe157  1  0.877732  0.150154  0.724600  1
  Fe  Fe158  1  0.947707  0.928845  0.668263  1
  Fe  Fe159  1  0.020355  0.708690  0.612859  1
  Fe  Fe160  1  0.873909  0.012969  0.707446  1
  Fe  Fe161  1  0.943395  0.793382  0.652474  1
  Fe  Fe162  1  0.015404  0.573757  0.596915  1
  Fe  Fe163  1  0.355626  0.060793  0.721117  1
  Fe  Fe164  1  0.427152  0.841142  0.664574  1
  Fe  Fe165  1  0.498239  0.621476  0.609087  1
  Fe  Fe166  1  0.429565  0.976625  0.680471  1
  Fe  Fe167  1  0.503015  0.756342  0.625033  1
  Fe  Fe168  1  0.363176  0.195173  0.736126  1
  Fe  Fe169  1  0.864101  0.431213  0.590812  1
  Fe  Fe170  1  0.720275  0.870765  0.701563  1
  Fe  Fe171  1  0.792099  0.650959  0.646293  1
  Fe  Fe172  1  0.093864  0.085994  0.678129  1
  Fe  Fe173  1  0.166831  0.865913  0.622569  1
  Fe  Fe174  1  0.023849  0.305113  0.733986  1
  Fe  Fe175  1  0.543036  0.312144  0.584846  1
  Fe  Fe176  1  0.397936  0.751475  0.695857  1
  Fe  Fe177  1  0.470848  0.531970  0.640315  1
  Fe  Fe178  1  0.829767  0.957434  0.747490  1
  Fe  Fe179  1  0.903470  0.737866  0.692663  1
  Fe  Fe180  1  0.974808  0.518133  0.637101  1
  C  C181  1  0.805288  0.899817  0.259017  1
  C  C182  1  0.652950  0.340279  0.369746  1
  C  C183  1  0.723784  0.120638  0.314231  1
  C  C184  1  0.043457  0.921420  0.329908  1
  C  C185  1  0.117082  0.700416  0.274509  1
  C  C186  1  0.970478  0.141562  0.385385  1
  C  C187  1  0.584508  0.792447  0.296858  1
  C  C188  1  0.439527  0.231869  0.408054  1
  C  C189  1  0.511541  0.012070  0.352594  1
  C  C190  1  0.264027  0.990931  0.281656  1
  C  C191  1  0.122260  0.430630  0.392432  1
  C  C192  1  0.194030  0.211056  0.336832  1
  C  C193  1  0.652950  0.840279  0.369746  1
  C  C194  1  0.723784  0.620638  0.314231  1
  C  C195  1  0.805288  0.399817  0.259017  1
  C  C196  1  0.970478  0.641562  0.385385  1
  C  C197  1  0.043457  0.421420  0.329908  1
  C  C198  1  0.117082  0.200416  0.274509  1
  C  C199  1  0.439527  0.731869  0.408054  1
  C  C200  1  0.511541  0.512070  0.352594  1
  C  C201  1  0.584508  0.292447  0.296858  1
  C  C202  1  0.194030  0.711056  0.336832  1
  C  C203  1  0.264027  0.490931  0.281656  1
  C  C204  1  0.122260  0.930630  0.392432  1
  C  C205  1  0.581169  0.560077  0.425256  1
  C  C206  1  0.437595  0.999553  0.536279  1
  C  C207  1  0.509385  0.779803  0.480767  1
  C  C208  1  0.826808  0.581033  0.496423  1
  C  C209  1  0.898476  0.361271  0.440909  1
  C  C210  1  0.755003  0.800770  0.551942  1
  C  C211  1  0.367892  0.451608  0.463587  1
  C  C212  1  0.224317  0.891084  0.574611  1
  C  C213  1  0.296101  0.671358  0.519099  1
  C  C214  1  0.050483  0.650391  0.447924  1
  C  C215  1  0.907010  0.089890  0.558957  1
  C  C216  1  0.978678  0.870129  0.503443  1
  C  C217  1  0.437595  0.499553  0.536279  1
  C  C218  1  0.509385  0.279803  0.480767  1
  C  C219  1  0.581169  0.060077  0.425256  1
  C  C220  1  0.755003  0.300770  0.551942  1
  C  C221  1  0.826808  0.081033  0.496423  1
  C  C222  1  0.898476  0.861271  0.440909  1
  C  C223  1  0.224317  0.391084  0.574611  1
  C  C224  1  0.296101  0.171358  0.519099  1
  C  C225  1  0.367892  0.951608  0.463587  1
  C  C226  1  0.978678  0.370129  0.503443  1
  C  C227  1  0.050483  0.150391  0.447924  1
  C  C228  1  0.907010  0.589890  0.558957  1
  C  C229  1  0.365959  0.219292  0.591812  1
  C  C230  1  0.220978  0.658714  0.703008  1
  C  C231  1  0.293945  0.439091  0.647273  1
  C  C232  1  0.611456  0.240105  0.663034  1
  C  C233  1  0.683226  0.020531  0.607435  1
  C  C234  1  0.541459  0.460231  0.718210  1
  C  C235  1  0.152536  0.110883  0.630120  1
  C  C236  1  0.000198  0.551344  0.740849  1
  C  C237  1  0.081702  0.330523  0.685636  1
  C  C238  1  0.835008  0.309599  0.614481  1
  C  C239  1  0.688404  0.750745  0.725357  1
  C  C240  1  0.762029  0.529741  0.669958  1
  C  C241  1  0.220978  0.158714  0.703008  1
  C  C242  1  0.293945  0.939091  0.647273  1
  C  C243  1  0.365959  0.719292  0.591812  1
  C  C244  1  0.541459  0.960231  0.718210  1
  C  C245  1  0.611456  0.740105  0.663034  1
  C  C246  1  0.683226  0.520531  0.607435  1
  C  C247  1  0.000198  0.051344  0.740849  1
  C  C248  1  0.081702  0.830523  0.685636  1
  C  C249  1  0.152536  0.610883  0.630120  1
  C  C250  1  0.762029  0.029741  0.669958  1
  C  C251  1  0.835008  0.809599  0.614481  1
  C  C252  1  0.688404  0.250745  0.725357  1
