# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79564712
_cell_length_b   18.44907085
_cell_length_c   49.74229008
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.89165793
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe180 C72'
_cell_volume   4400.95285693
_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  0.422288  0.308302  0.276236  1
  Fe  Fe2  1  0.448399  0.101854  0.329562  1
  Fe  Fe3  1  0.927342  0.706472  0.302762  1
  Fe  Fe4  1  0.590533  0.209359  0.349554  1
  Fe  Fe5  1  0.093600  0.812427  0.325330  1
  Fe  Fe6  1  0.588633  0.414682  0.298366  1
  Fe  Fe7  1  0.129298  0.128330  0.293300  1
  Fe  Fe8  1  0.129321  0.921964  0.344826  1
  Fe  Fe9  1  0.625993  0.525240  0.318935  1
  Fe  Fe10  1  0.410564  0.421944  0.344786  1
  Fe  Fe11  1  0.912415  0.025100  0.319111  1
  Fe  Fe12  1  0.413098  0.627823  0.293298  1
  Fe  Fe13  1  0.634127  0.095454  0.283038  1
  Fe  Fe14  1  0.630564  0.889119  0.335237  1
  Fe  Fe15  1  0.140833  0.492239  0.310189  1
  Fe  Fe16  1  0.615826  0.206957  0.302562  1
  Fe  Fe17  1  0.114660  0.807630  0.276677  1
  Fe  Fe18  1  0.092909  0.602513  0.330006  1
  Fe  Fe19  1  0.991027  0.308860  0.301198  1
  Fe  Fe20  1  0.996278  0.103844  0.352692  1
  Fe  Fe21  1  0.490718  0.706029  0.328308  1
  Fe  Fe22  1  0.447110  0.313047  0.325115  1
  Fe  Fe23  1  0.949324  0.913676  0.298647  1
  Fe  Fe24  1  0.950920  0.709387  0.349706  1
  Fe  Fe25  1  0.910818  0.389086  0.335220  1
  Fe  Fe26  1  0.394134  0.991496  0.307477  1
  Fe  Fe27  1  0.911890  0.594873  0.283297  1
  Fe  Fe28  1  0.049842  0.206122  0.328139  1
  Fe  Fe29  1  0.549098  0.809082  0.300920  1
  Fe  Fe30  1  0.058473  0.416696  0.275264  1
  Fe  Fe31  1  0.942540  0.499391  0.354706  1
  Fe  Fe32  1  0.944510  0.294509  0.406333  1
  Fe  Fe33  1  0.445866  0.897275  0.380899  1
  Fe  Fe34  1  0.097818  0.401954  0.427399  1
  Fe  Fe35  1  0.594579  0.004293  0.401449  1
  Fe  Fe36  1  0.098855  0.606987  0.376074  1
  Fe  Fe37  1  0.628239  0.319671  0.370472  1
  Fe  Fe38  1  0.628418  0.114674  0.421596  1
  Fe  Fe39  1  0.129871  0.717382  0.396119  1
  Fe  Fe40  1  0.912689  0.614597  0.421716  1
  Fe  Fe41  1  0.410944  0.217218  0.396000  1
  Fe  Fe42  1  0.911935  0.819533  0.370593  1
  Fe  Fe43  1  0.130225  0.287185  0.360820  1
  Fe  Fe44  1  0.126853  0.081865  0.411768  1
  Fe  Fe45  1  0.632656  0.684349  0.386390  1
  Fe  Fe46  1  0.094460  0.397466  0.380977  1
  Fe  Fe47  1  0.599407  -0.000579  0.354507  1
  Fe  Fe48  1  0.596196  0.794722  0.406566  1
  Fe  Fe49  1  0.495161  0.502269  0.378367  1
  Fe  Fe50  1  0.495172  0.297239  0.429688  1
  Fe  Fe51  1  0.994534  0.899692  0.404075  1
  Fe  Fe52  1  0.947520  0.504026  0.401413  1
  Fe  Fe53  1  0.443189  0.106755  0.375796  1
  Fe  Fe54  1  0.445040  0.901933  0.427318  1
  Fe  Fe55  1  0.415574  0.581675  0.411913  1
  Fe  Fe56  1  0.909561  0.184168  0.386248  1
  Fe  Fe57  1  0.411218  0.787110  0.361016  1
  Fe  Fe58  1  0.546883  0.399332  0.404003  1
  Fe  Fe59  1  0.046643  0.001982  0.378243  1
  Fe  Fe60  1  0.545854  0.603823  0.352798  1
  Fe  Fe61  1  0.446332  0.692166  0.432064  1
  Fe  Fe62  1  0.446406  0.486950  0.483261  1
  Fe  Fe63  1  0.944779  0.089630  0.457578  1
  Fe  Fe64  1  0.598287  0.594118  0.504249  1
  Fe  Fe65  1  0.097275  0.196713  0.478594  1
  Fe  Fe66  1  0.596997  0.799342  0.452954  1
  Fe  Fe67  1  0.130479  0.512149  0.447398  1
  Fe  Fe68  1  0.130111  0.307100  0.498666  1
  Fe  Fe69  1  0.629496  0.909729  0.473054  1
  Fe  Fe70  1  0.412344  0.807090  0.498703  1
  Fe  Fe71  1  0.912630  0.409493  0.473058  1
  Fe  Fe72  1  0.411142  0.012149  0.447414  1
  Fe  Fe73  1  0.632377  0.479399  0.437505  1
  Fe  Fe74  1  0.631241  0.274239  0.488813  1
  Fe  Fe75  1  0.129758  0.876774  0.463208  1
  Fe  Fe76  1  0.597070  0.589735  0.457757  1
  Fe  Fe77  1  0.094885  0.192434  0.432095  1
  Fe  Fe78  1  0.095967  0.987245  0.483352  1
  Fe  Fe79  1  0.996580  0.694460  0.455339  1
  Fe  Fe80  1  0.996579  0.489420  0.506604  1
  Fe  Fe81  1  0.495119  0.092125  0.480905  1
  Fe  Fe82  1  0.446614  0.696586  0.478497  1
  Fe  Fe83  1  0.946578  0.298991  0.452783  1
  Fe  Fe84  1  0.946219  0.093958  0.504130  1
  Fe  Fe85  1  0.912786  0.774159  0.488841  1
  Fe  Fe86  1  0.413930  0.376583  0.463222  1
  Fe  Fe87  1  0.910296  0.979486  0.437491  1
  Fe  Fe88  1  0.047630  0.591790  0.480913  1
  Fe  Fe89  1  0.546389  0.194174  0.455248  1
  Fe  Fe90  1  0.046685  0.797063  0.429725  1
  Fe  Fe91  1  0.945297  0.884526  0.508913  1
  Fe  Fe92  1  0.946586  0.679302  0.560208  1
  Fe  Fe93  1  0.446308  0.281932  0.534568  1
  Fe  Fe94  1  0.097252  0.786479  0.581098  1
  Fe  Fe95  1  0.598805  0.389014  0.555584  1
  Fe  Fe96  1  0.097178  0.991694  0.529901  1
  Fe  Fe97  1  0.630797  0.704486  0.524321  1
  Fe  Fe98  1  0.633288  0.499158  0.575671  1
  Fe  Fe99  1  0.129653  0.102062  0.549939  1
  Fe  Fe100  1  0.911207  -0.000754  0.575657  1
  Fe  Fe101  1  0.413826  0.601870  0.549954  1
  Fe  Fe102  1  0.912342  0.204406  0.524349  1
  Fe  Fe103  1  0.131240  0.671555  0.514459  1
  Fe  Fe104  1  0.132442  0.466496  0.565748  1
  Fe  Fe105  1  0.630953  0.069151  0.540103  1
  Fe  Fe106  1  0.096969  0.782059  0.534665  1
  Fe  Fe107  1  0.597365  0.384686  0.509032  1
  Fe  Fe108  1  0.597005  0.179653  0.560378  1
  Fe  Fe109  1  0.495953  0.886854  0.532249  1
  Fe  Fe110  1  0.496899  0.681582  0.583436  1
  Fe  Fe111  1  0.997195  0.284470  0.557914  1
  Fe  Fe112  1  0.946514  0.888909  0.555405  1
  Fe  Fe113  1  0.447616  0.491399  0.529810  1
  Fe  Fe114  1  0.448699  0.286211  0.581067  1
  Fe  Fe115  1  0.413105  0.966495  0.565764  1
  Fe  Fe116  1  0.914088  0.568916  0.540108  1
  Fe  Fe117  1  0.413472  0.171545  0.514496  1
  Fe  Fe118  1  0.547004  0.784185  0.557823  1
  Fe  Fe119  1  0.048464  0.386519  0.532257  1
  Fe  Fe120  1  0.547005  0.989224  0.506558  1
  Fe  Fe121  1  0.445765  0.076691  0.585763  1
  Fe  Fe122  1  0.444729  0.871657  0.637088  1
  Fe  Fe123  1  0.949005  0.474352  0.611712  1
  Fe  Fe124  1  0.601044  0.979253  0.658456  1
  Fe  Fe125  1  0.097717  0.581369  0.632263  1
  Fe  Fe126  1  0.599074  0.184135  0.606829  1
  Fe  Fe127  1  0.128010  0.896970  0.601249  1
  Fe  Fe128  1  0.132366  0.691534  0.652146  1
  Fe  Fe129  1  0.634023  0.294477  0.626914  1
  Fe  Fe130  1  0.413358  0.191460  0.652342  1
  Fe  Fe131  1  0.910928  0.794295  0.626772  1
  Fe  Fe132  1  0.416730  0.396780  0.601394  1
  Fe  Fe133  1  0.630895  0.864047  0.591446  1
  Fe  Fe134  1  0.631649  0.659112  0.642569  1
  Fe  Fe135  1  0.132639  0.261427  0.617162  1
  Fe  Fe136  1  0.596064  0.974618  0.611749  1
  Fe  Fe137  1  0.098544  0.576711  0.585844  1
  Fe  Fe138  1  0.100395  0.371890  0.637366  1
  Fe  Fe139  1  0.996700  0.079312  0.609159  1
  Fe  Fe140  1  0.997729  0.874822  0.660364  1
  Fe  Fe141  1  0.496941  0.476662  0.634919  1
  Fe  Fe142  1  0.449124  0.081179  0.632185  1
  Fe  Fe143  1  0.947388  0.683923  0.606595  1
  Fe  Fe144  1  0.944176  0.479223  0.658655  1
  Fe  Fe145  1  0.915345  0.158973  0.642690  1
  Fe  Fe146  1  0.413712  0.761262  0.617042  1
  Fe  Fe147  1  0.915166  0.363971  0.591565  1
  Fe  Fe148  1  0.048423  0.976375  0.634795  1
  Fe  Fe149  1  0.549050  0.578953  0.609087  1
  Fe  Fe150  1  0.048412  0.181405  0.583474  1
  Fe  Fe151  1  0.953051  0.269286  0.663608  1
  Fe  Fe152  1  0.954950  0.063962  0.714796  1
  Fe  Fe153  1  0.449984  0.666218  0.687832  1
  Fe  Fe154  1  0.121296  0.170343  0.736926  1
  Fe  Fe155  1  0.616241  0.772173  0.710400  1
  Fe  Fe156  1  0.095185  0.376790  0.683600  1
  Fe  Fe157  1  0.632766  0.089559  0.677942  1
  Fe  Fe158  1  0.631693  0.883772  0.729865  1
  Fe  Fe159  1  0.149450  0.487148  0.705685  1
  Fe  Fe160  1  0.909456  0.383191  0.730124  1
  Fe  Fe161  1  0.402751  0.986405  0.702973  1
  Fe  Fe162  1  0.913020  0.589526  0.677925  1
  Fe  Fe163  1  0.133020  0.056700  0.668376  1
  Fe  Fe164  1  0.130486  0.850821  0.719864  1
  Fe  Fe165  1  0.631169  0.453544  0.694051  1
  Fe  Fe166  1  0.096474  0.165597  0.688047  1
  Fe  Fe167  1  0.592664  0.769257  0.663456  1
  Fe  Fe168  1  0.594260  0.564968  0.714515  1
  Fe  Fe169  1  0.493741  0.272523  0.685023  1
  Fe  Fe170  1  0.485111  0.061949  0.737898  1
  Fe  Fe171  1  0.994486  0.669562  0.712242  1
  Fe  Fe172  1  0.927758  0.271687  0.710600  1
  Fe  Fe173  1  0.450674  0.876131  0.683156  1
  Fe  Fe174  1  0.428923  0.671015  0.736485  1
  Fe  Fe175  1  0.414285  0.350315  0.719862  1
  Fe  Fe176  1  0.917590  0.953404  0.694227  1
  Fe  Fe177  1  0.414262  0.556680  0.668335  1
  Fe  Fe178  1  0.552557  0.169784  0.711964  1
  Fe  Fe179  1  0.052865  0.772615  0.684854  1
  Fe  Fe180  1  0.547306  0.374801  0.660470  1
  C  C181  1  0.235526  0.228784  0.293482  1
  C  C182  1  0.227844  0.022788  0.342911  1
  C  C183  1  0.724307  0.626178  0.317644  1
  C  C184  1  0.221333  0.390115  0.310807  1
  C  C185  1  0.730913  0.994799  0.286573  1
  C  C186  1  0.723051  0.787799  0.336757  1
  C  C187  1  0.817085  0.126278  0.317524  1
  C  C188  1  0.307156  0.728412  0.293636  1
  C  C189  1  0.313715  0.523004  0.343135  1
  C  C190  1  0.817029  0.287940  0.336719  1
  C  C191  1  0.317471  0.889746  0.311121  1
  C  C192  1  0.819487  0.494122  0.287111  1
  C  C193  1  0.724709  0.420680  0.368776  1
  C  C194  1  0.724706  0.215699  0.420037  1
  C  C195  1  0.226151  0.818411  0.394583  1
  C  C196  1  0.728224  0.583172  0.387737  1
  C  C197  1  0.223031  0.185832  0.362185  1
  C  C198  1  0.225155  0.980916  0.413595  1
  C  C199  1  0.314717  0.318348  0.394542  1
  C  C200  1  0.815805  0.920649  0.368891  1
  C  C201  1  0.816583  0.715732  0.420211  1
  C  C202  1  0.317085  0.480818  0.413658  1
  C  C203  1  0.813700  0.083102  0.387647  1
  C  C204  1  0.318578  0.685846  0.362399  1
  C  C205  1  0.227130  0.613124  0.445669  1
  C  C206  1  0.227232  0.408056  0.496993  1
  C  C207  1  0.725835  0.010731  0.471337  1
  C  C208  1  0.226991  0.775729  0.464863  1
  C  C209  1  0.727393  0.378216  0.439152  1
  C  C210  1  0.727029  0.173104  0.490438  1
  C  C211  1  0.816604  0.510614  0.471416  1
  C  C212  1  0.314710  0.113221  0.445638  1
  C  C213  1  0.315456  0.908157  0.497053  1
  C  C214  1  0.816761  0.673133  0.490511  1
  C  C215  1  0.316476  0.275647  0.464899  1
  C  C216  1  0.815418  0.878397  0.439242  1
  C  C217  1  0.726823  0.805512  0.522650  1
  C  C218  1  0.728165  0.600247  0.573920  1
  C  C219  1  0.227108  0.202997  0.548263  1
  C  C220  1  0.726979  0.968031  0.541745  1
  C  C221  1  0.228127  0.570487  0.516109  1
  C  C222  1  0.228874  0.365424  0.567524  1
  C  C223  1  0.316592  0.702916  0.548299  1
  C  C224  1  0.816555  0.305541  0.522724  1
  C  C225  1  0.816191  0.100428  0.574009  1
  C  C226  1  0.316453  0.865521  0.567493  1
  C  C227  1  0.817748  0.467914  0.541825  1
  C  C228  1  0.316352  0.070589  0.516169  1
  C  C229  1  0.226498  -0.002174  0.599504  1
  C  C230  1  0.225005  0.792799  0.650763  1
  C  C231  1  0.729884  0.395543  0.625515  1
  C  C232  1  0.228866  0.160296  0.618620  1
  C  C233  1  0.727000  0.762913  0.592951  1
  C  C234  1  0.727779  0.557995  0.644271  1
  C  C235  1  0.815360  0.895473  0.625425  1
  C  C236  1  0.318429  0.497728  0.599567  1
  C  C237  1  0.320553  0.292812  0.650977  1
  C  C238  1  0.818875  0.057965  0.644386  1
  C  C239  1  0.317433  0.660233  0.618578  1
  C  C240  1  0.818878  0.262945  0.593124  1
  C  C241  1  0.726555  0.190705  0.676443  1
  C  C242  1  0.724097  0.984522  0.726051  1
  C  C243  1  0.226112  0.588899  0.702041  1
  C  C244  1  0.726499  0.352366  0.695638  1
  C  C245  1  0.229869  0.955640  0.670027  1
  C  C246  1  0.236427  0.750232  0.719526  1
  C  C247  1  0.322251  0.088529  0.702355  1
  C  C248  1  0.820533  0.690846  0.676405  1
  C  C249  1  0.812670  0.483845  0.726589  1
  C  C250  1  0.308057  0.249861  0.719680  1
  C  C251  1  0.819277  0.852467  0.695518  1
  C  C252  1  0.315739  0.455856  0.670251  1
