# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56506553
_cell_length_b   21.79522022
_cell_length_c   47.85781994
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.65937649
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe180 C72'
_cell_volume   4751.98226854
_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  0.589938  0.143216  0.296034  1
  Fe  Fe2  1  0.545041  0.544503  0.319498  1
  Fe  Fe3  1  0.523712  0.949083  0.344055  1
  Fe  Fe4  1  0.728519  0.935220  0.299284  1
  Fe  Fe5  1  0.721013  0.336430  0.323959  1
  Fe  Fe6  1  0.672481  0.740429  0.347262  1
  Fe  Fe7  1  0.883593  0.107625  0.334080  1
  Fe  Fe8  1  0.835928  0.511405  0.357625  1
  Fe  Fe9  1  0.908161  0.703781  0.309867  1
  Fe  Fe10  1  0.366112  0.065426  0.344546  1
  Fe  Fe11  1  0.397249  0.249869  0.297429  1
  Fe  Fe12  1  0.388571  0.658061  0.321055  1
  Fe  Fe13  1  0.875135  0.219824  0.323794  1
  Fe  Fe14  1  0.834348  0.623959  0.347744  1
  Fe  Fe15  1  0.891569  0.816975  0.299905  1
  Fe  Fe16  1  0.091229  0.155129  0.281837  1
  Fe  Fe17  1  0.054253  0.568215  0.308683  1
  Fe  Fe18  1  0.035449  0.978154  0.337040  1
  Fe  Fe19  1  0.418294  0.034012  0.299670  1
  Fe  Fe20  1  0.380155  0.438343  0.323475  1
  Fe  Fe21  1  0.345978  0.837987  0.347332  1
  Fe  Fe22  1  0.224718  0.905106  0.307234  1
  Fe  Fe23  1  0.202386  0.307585  0.332088  1
  Fe  Fe24  1  0.163459  0.711518  0.355269  1
  Fe  Fe25  1  0.353854  0.178080  0.334987  1
  Fe  Fe26  1  0.429040  0.373308  0.287016  1
  Fe  Fe27  1  0.379436  0.776934  0.309615  1
  Fe  Fe28  1  0.926114  0.044467  0.297469  1
  Fe  Fe29  1  0.885705  0.446111  0.320908  1
  Fe  Fe30  1  0.852059  0.850232  0.344516  1
  Fe  Fe31  1  0.485213  0.351483  0.367030  1
  Fe  Fe32  1  0.457763  0.754727  0.391577  1
  Fe  Fe33  1  0.423434  0.157979  0.415221  1
  Fe  Fe34  1  0.645582  0.143803  0.372088  1
  Fe  Fe35  1  0.607374  0.547271  0.395714  1
  Fe  Fe36  1  0.580812  0.950062  0.419274  1
  Fe  Fe37  1  0.779582  0.317111  0.405188  1
  Fe  Fe38  1  0.750130  0.720054  0.429148  1
  Fe  Fe39  1  0.816916  0.913287  0.381419  1
  Fe  Fe40  1  0.264507  0.274802  0.415684  1
  Fe  Fe41  1  0.328460  0.469295  0.367745  1
  Fe  Fe42  1  0.299778  0.871292  0.391912  1
  Fe  Fe43  1  0.766764  0.430215  0.395028  1
  Fe  Fe44  1  0.739177  0.833385  0.418808  1
  Fe  Fe45  1  0.804674  0.027115  0.371298  1
  Fe  Fe46  1  0.998932  0.381453  0.360667  1
  Fe  Fe47  1  0.969070  0.783495  0.383949  1
  Fe  Fe48  1  0.935371  0.187452  0.408316  1
  Fe  Fe49  1  0.318691  0.243077  0.370758  1
  Fe  Fe50  1  0.282655  0.645070  0.394961  1
  Fe  Fe51  1  0.250498  0.048225  0.418655  1
  Fe  Fe52  1  0.133763  0.114398  0.379309  1
  Fe  Fe53  1  0.095643  0.517608  0.402908  1
  Fe  Fe54  1  0.068917  0.920962  0.426697  1
  Fe  Fe55  1  0.252700  0.387945  0.405475  1
  Fe  Fe56  1  0.313617  0.582280  0.358146  1
  Fe  Fe57  1  0.288851  0.984670  0.381808  1
  Fe  Fe58  1  0.818353  0.254053  0.368553  1
  Fe  Fe59  1  0.784008  0.657561  0.392341  1
  Fe  Fe60  1  0.754763  0.059566  0.416053  1
  Fe  Fe61  1  0.391875  0.561090  0.439124  1
  Fe  Fe62  1  0.360206  0.964051  0.462895  1
  Fe  Fe63  1  0.327627  0.367295  0.486678  1
  Fe  Fe64  1  0.545179  0.353409  0.442993  1
  Fe  Fe65  1  0.515056  0.756441  0.466850  1
  Fe  Fe66  1  0.481698  0.159545  0.490552  1
  Fe  Fe67  1  0.684595  0.526188  0.476666  1
  Fe  Fe68  1  0.652561  0.929293  0.500426  1
  Fe  Fe69  1  0.716378  0.123049  0.452822  1
  Fe  Fe70  1  0.168849  0.483927  0.487144  1
  Fe  Fe71  1  0.233380  0.677905  0.439637  1
  Fe  Fe72  1  0.201246  0.080821  0.463305  1
  Fe  Fe73  1  0.673448  0.639758  0.466537  1
  Fe  Fe74  1  0.640753  0.042811  0.490218  1
  Fe  Fe75  1  0.704240  0.236604  0.442674  1
  Fe  Fe76  1  0.904162  0.590472  0.432038  1
  Fe  Fe77  1  0.871444  0.993161  0.455520  1
  Fe  Fe78  1  0.838921  0.396352  0.479250  1
  Fe  Fe79  1  0.216662  0.451149  0.442436  1
  Fe  Fe80  1  0.186457  0.854534  0.466148  1
  Fe  Fe81  1  0.152893  0.257499  0.489944  1
  Fe  Fe82  1  0.033865  0.324276  0.450339  1
  Fe  Fe83  1  0.003283  0.727454  0.474269  1
  Fe  Fe84  1  0.970532  0.130453  0.497964  1
  Fe  Fe85  1  0.158109  0.597555  0.476983  1
  Fe  Fe86  1  0.222424  0.791268  0.429322  1
  Fe  Fe87  1  0.189698  0.194365  0.453113  1
  Fe  Fe88  1  0.719926  0.463127  0.439704  1
  Fe  Fe89  1  0.689212  0.866171  0.463586  1
  Fe  Fe90  1  0.656063  0.269249  0.487269  1
  Fe  Fe91  1  0.296117  0.770379  0.510544  1
  Fe  Fe92  1  0.262759  0.173483  0.534246  1
  Fe  Fe93  1  0.232636  0.576515  0.558103  1
  Fe  Fe94  1  0.450189  0.562629  0.514418  1
  Fe  Fe95  1  0.417610  0.965872  0.538202  1
  Fe  Fe96  1  0.385941  0.368833  0.561973  1
  Fe  Fe97  1  0.588118  0.735558  0.547983  1
  Fe  Fe98  1  0.555392  0.138656  0.571774  1
  Fe  Fe99  1  0.619706  0.332368  0.524113  1
  Fe  Fe100  1  0.073575  0.693319  0.558422  1
  Fe  Fe101  1  0.137063  0.887113  0.510878  1
  Fe  Fe102  1  0.104367  0.290165  0.534559  1
  Fe  Fe103  1  0.576570  0.849102  0.537791  1
  Fe  Fe104  1  0.544435  0.252018  0.561460  1
  Fe  Fe105  1  0.608966  0.445996  0.513952  1
  Fe  Fe106  1  0.807283  0.799470  0.503132  1
  Fe  Fe107  1  0.774532  0.202469  0.526827  1
  Fe  Fe108  1  0.743951  0.605647  0.550758  1
  Fe  Fe109  1  0.121752  0.660675  0.513827  1
  Fe  Fe110  1  0.088603  0.063752  0.537510  1
  Fe  Fe111  1  0.057890  0.466796  0.561392  1
  Fe  Fe112  1  0.938895  0.533571  0.521846  1
  Fe  Fe113  1  0.906371  0.936762  0.545576  1
  Fe  Fe114  1  0.873654  0.339451  0.569058  1
  Fe  Fe115  1  0.061438  0.806874  0.548274  1
  Fe  Fe116  1  0.125255  0.000630  0.500670  1
  Fe  Fe117  1  0.093220  0.403735  0.524430  1
  Fe  Fe118  1  0.624923  0.672424  0.511153  1
  Fe  Fe119  1  0.591359  0.075390  0.534948  1
  Fe  Fe120  1  0.561153  0.478774  0.558660  1
  Fe  Fe121  1  0.197003  0.979861  0.581822  1
  Fe  Fe122  1  0.170442  0.382652  0.605382  1
  Fe  Fe123  1  0.132233  0.786120  0.629009  1
  Fe  Fe124  1  0.354382  0.771944  0.585875  1
  Fe  Fe125  1  0.320053  0.175196  0.609520  1
  Fe  Fe126  1  0.292602  0.578441  0.634066  1
  Fe  Fe127  1  0.488964  0.945254  0.619288  1
  Fe  Fe128  1  0.464199  0.347643  0.642950  1
  Fe  Fe129  1  0.525115  0.541978  0.595622  1
  Fe  Fe130  1  0.973142  0.902808  0.629798  1
  Fe  Fe131  1  0.038639  0.096539  0.582289  1
  Fe  Fe132  1  0.011051  0.499708  0.606068  1
  Fe  Fe133  1  0.478037  0.058631  0.609184  1
  Fe  Fe134  1  0.449356  0.460629  0.633352  1
  Fe  Fe135  1  0.513309  0.655121  0.585412  1
  Fe  Fe136  1  0.708899  0.008961  0.574399  1
  Fe  Fe137  1  0.682172  0.412315  0.598188  1
  Fe  Fe138  1  0.644053  0.815525  0.621787  1
  Fe  Fe139  1  0.023052  0.870357  0.585043  1
  Fe  Fe140  1  0.993807  0.272362  0.608755  1
  Fe  Fe141  1  0.959462  0.675871  0.632544  1
  Fe  Fe142  1  0.842445  0.742472  0.592780  1
  Fe  Fe143  1  0.808746  0.146429  0.617148  1
  Fe  Fe144  1  0.778884  0.548471  0.640429  1
  Fe  Fe145  1  0.960900  0.016636  0.619678  1
  Fe  Fe146  1  0.027686  0.209869  0.571948  1
  Fe  Fe147  1  0.998234  0.612812  0.595909  1
  Fe  Fe148  1  0.527318  0.881699  0.582441  1
  Fe  Fe149  1  0.495160  0.284854  0.606135  1
  Fe  Fe150  1  0.459124  0.686846  0.630339  1
  Fe  Fe151  1  0.105335  0.189494  0.653834  1
  Fe  Fe152  1  0.056803  0.593493  0.677137  1
  Fe  Fe153  1  0.049297  0.994704  0.701813  1
  Fe  Fe154  1  0.254104  0.980841  0.657041  1
  Fe  Fe155  1  0.232774  0.385421  0.681598  1
  Fe  Fe156  1  0.187877  0.786708  0.705062  1
  Fe  Fe157  1  0.398380  0.152989  0.691481  1
  Fe  Fe158  1  0.348776  0.556615  0.714080  1
  Fe  Fe159  1  0.423962  0.751844  0.666109  1
  Fe  Fe160  1  0.886247  0.112948  0.701191  1
  Fe  Fe161  1  0.943468  0.305964  0.653352  1
  Fe  Fe162  1  0.902681  0.710099  0.677302  1
  Fe  Fe163  1  0.389245  0.271862  0.680042  1
  Fe  Fe164  1  0.380566  0.680054  0.703667  1
  Fe  Fe165  1  0.411704  0.864497  0.656550  1
  Fe  Fe166  1  0.614356  0.218405  0.645828  1
  Fe  Fe167  1  0.575429  0.622338  0.669008  1
  Fe  Fe168  1  0.553098  0.024817  0.693862  1
  Fe  Fe169  1  0.925757  0.079692  0.656580  1
  Fe  Fe170  1  0.892111  0.483812  0.680188  1
  Fe  Fe171  1  0.851702  0.885456  0.703627  1
  Fe  Fe172  1  0.742367  0.951769  0.664057  1
  Fe  Fe173  1  0.723562  0.361708  0.692414  1
  Fe  Fe174  1  0.686587  0.774794  0.719260  1
  Fe  Fe175  1  0.869655  0.226142  0.691230  1
  Fe  Fe176  1  0.941888  0.418518  0.643472  1
  Fe  Fe177  1  0.894222  0.822299  0.667016  1
  Fe  Fe178  1  0.431838  0.091936  0.653764  1
  Fe  Fe179  1  0.397661  0.491580  0.677621  1
  Fe  Fe180  1  0.359522  0.895912  0.701427  1
  C  C181  1  0.233314  0.106284  0.311749  1
  C  C182  1  0.184716  0.509577  0.335225  1
  C  C183  1  0.267871  0.703351  0.289057  1
  C  C184  1  0.538036  0.259786  0.336975  1
  C  C185  1  0.606042  0.455446  0.290142  1
  C  C186  1  0.561506  0.858442  0.313720  1
  C  C187  1  0.701942  0.025907  0.330778  1
  C  C188  1  0.663974  0.428848  0.354487  1
  C  C189  1  0.733796  0.621318  0.307735  1
  C  C190  1  0.005359  0.181394  0.357343  1
  C  C191  1  0.082059  0.374634  0.309719  1
  C  C192  1  0.034286  0.777443  0.332653  1
  C  C193  1  0.128259  0.314741  0.382779  1
  C  C194  1  0.098205  0.717703  0.406651  1
  C  C195  1  0.165045  0.911120  0.358913  1
  C  C196  1  0.430679  0.469980  0.408564  1
  C  C197  1  0.497927  0.663817  0.361146  1
  C  C198  1  0.468233  0.066587  0.384947  1
  C  C199  1  0.601044  0.235082  0.402225  1
  C  C200  1  0.569783  0.638185  0.426149  1
  C  C201  1  0.635452  0.831541  0.378260  1
  C  C202  1  0.904584  0.390558  0.427947  1
  C  C203  1  0.967546  0.584621  0.380932  1
  C  C204  1  0.940295  0.987159  0.404223  1
  C  C205  1  0.032912  0.523810  0.454212  1
  C  C206  1  0.000734  0.926941  0.477947  1
  C  C207  1  0.064845  0.120695  0.430388  1
  C  C208  1  0.337193  0.679525  0.480035  1
  C  C209  1  0.403099  0.873088  0.432392  1
  C  C210  1  0.367934  0.276407  0.456136  1
  C  C211  1  0.504961  0.444285  0.473525  1
  C  C212  1  0.473234  0.847351  0.497351  1
  C  C213  1  0.537434  0.041072  0.449772  1
  C  C214  1  0.809805  0.599850  0.499446  1
  C  C215  1  0.874389  0.793680  0.451821  1
  C  C216  1  0.841313  0.196717  0.475560  1
  C  C217  1  0.936503  0.733206  0.525537  1
  C  C218  1  0.903427  0.136243  0.549276  1
  C  C219  1  0.968011  0.330073  0.501651  1
  C  C220  1  0.240382  0.888851  0.551324  1
  C  C221  1  0.304581  0.082572  0.503745  1
  C  C222  1  0.272854  0.485638  0.527571  1
  C  C223  1  0.409882  0.653516  0.544960  1
  C  C224  1  0.374717  0.056836  0.568704  1
  C  C225  1  0.440623  0.250398  0.521061  1
  C  C226  1  0.712971  0.809228  0.570708  1
  C  C227  1  0.777082  0.002983  0.523150  1
  C  C228  1  0.744904  0.406114  0.546885  1
  C  C229  1  0.837520  0.942764  0.596873  1
  C  C230  1  0.810269  0.345302  0.620164  1
  C  C231  1  0.873232  0.539366  0.573150  1
  C  C232  1  0.142364  0.098383  0.622836  1
  C  C233  1  0.208032  0.291738  0.574947  1
  C  C234  1  0.176772  0.694841  0.598872  1
  C  C235  1  0.309583  0.863336  0.616149  1
  C  C236  1  0.279889  0.266106  0.639950  1
  C  C237  1  0.347137  0.459943  0.592533  1
  C  C238  1  0.612770  0.018804  0.642183  1
  C  C239  1  0.679611  0.212220  0.594445  1
  C  C240  1  0.649556  0.615183  0.618317  1
  C  C241  1  0.743530  0.152480  0.668444  1
  C  C242  1  0.695757  0.555289  0.691377  1
  C  C243  1  0.772457  0.748530  0.643753  1
  C  C244  1  0.044019  0.308605  0.693361  1
  C  C245  1  0.113842  0.501075  0.646609  1
  C  C246  1  0.075873  0.904017  0.670319  1
  C  C247  1  0.216310  0.071481  0.687376  1
  C  C248  1  0.171773  0.474478  0.710955  1
  C  C249  1  0.239780  0.670137  0.664122  1
  C  C250  1  0.509945  0.226572  0.712039  1
  C  C251  1  0.593100  0.420346  0.665872  1
  C  C252  1  0.544502  0.823639  0.689348  1
