# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56707442
_cell_length_b   25.22114161
_cell_length_c   51.15685350
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.09496004
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe240 C96'
_cell_volume   5877.55243274
_cell_formula_units_Z   48
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  0.304290  0.473984  0.303146  1
  Fe  Fe2  1  0.824008  0.028805  0.341273  1
  Fe  Fe3  1  0.807395  0.633195  0.305619  1
  Fe  Fe4  1  0.323626  0.187414  0.343962  1
  Fe  Fe5  1  0.107193  0.627664  0.343347  1
  Fe  Fe6  1  0.580470  0.073523  0.304732  1
  Fe  Fe7  1  0.032024  0.548936  0.312807  1
  Fe  Fe8  1  0.512262  0.995962  0.274617  1
  Fe  Fe9  1  0.537327  0.572178  0.329861  1
  Fe  Fe10  1  0.016777  0.021007  0.291446  1
  Fe  Fe11  1  0.576467  0.541845  0.282534  1
  Fe  Fe12  1  0.089541  0.097890  0.322867  1
  Fe  Fe13  1  0.812022  0.460084  0.290421  1
  Fe  Fe14  1  0.321708  0.012988  0.329538  1
  Fe  Fe15  1  0.307840  0.616553  0.293621  1
  Fe  Fe16  1  0.813354  0.171871  0.332258  1
  Fe  Fe17  1  0.476492  0.394185  0.272540  1
  Fe  Fe18  1  0.928575  0.938050  0.310175  1
  Fe  Fe19  1  0.950551  0.484750  0.343800  1
  Fe  Fe20  1  0.428790  0.931515  0.305550  1
  Fe  Fe21  1  0.542125  0.699218  0.283289  1
  Fe  Fe22  1  0.062711  0.250848  0.322398  1
  Fe  Fe23  1  0.039514  0.858996  0.285427  1
  Fe  Fe24  1  0.565926  0.410755  0.324732  1
  Fe  Fe25  1  0.340582  0.850422  0.324061  1
  Fe  Fe26  1  0.825912  0.297558  0.284317  1
  Fe  Fe27  1  0.267525  0.772912  0.293957  1
  Fe  Fe28  1  0.791966  0.325802  0.332442  1
  Fe  Fe29  1  0.768958  0.795206  0.310120  1
  Fe  Fe30  1  0.265390  0.245004  0.272890  1
  Fe  Fe31  1  0.850746  0.874074  0.341136  1
  Fe  Fe32  1  0.335244  0.320395  0.303860  1
  Fe  Fe33  1  0.030699  0.681157  0.271411  1
  Fe  Fe34  1  0.562999  0.236023  0.309828  1
  Fe  Fe35  1  0.540419  0.859595  0.271635  1
  Fe  Fe36  1  0.063846  0.392616  0.313440  1
  Fe  Fe37  1  0.693312  0.715412  0.329487  1
  Fe  Fe38  1  0.173115  0.160974  0.292791  1
  Fe  Fe39  1  0.188985  0.707544  0.324544  1
  Fe  Fe40  1  0.674857  0.154833  0.286439  1
  Fe  Fe41  1  0.342219  0.582944  0.379461  1
  Fe  Fe42  1  0.861207  0.137304  0.418096  1
  Fe  Fe43  1  0.843292  0.741390  0.382429  1
  Fe  Fe44  1  0.363036  0.295680  0.420922  1
  Fe  Fe45  1  0.144337  0.735967  0.420383  1
  Fe  Fe46  1  0.623741  0.181664  0.381954  1
  Fe  Fe47  1  0.067863  0.657196  0.390049  1
  Fe  Fe48  1  0.548898  0.103019  0.351556  1
  Fe  Fe49  1  0.575269  0.680713  0.406839  1
  Fe  Fe50  1  0.056301  0.126512  0.368497  1
  Fe  Fe51  1  0.613114  0.651115  0.360255  1
  Fe  Fe52  1  0.132139  0.205436  0.398794  1
  Fe  Fe53  1  0.837442  0.566970  0.367717  1
  Fe  Fe54  1  0.356840  0.121095  0.406430  1
  Fe  Fe55  1  0.339051  0.725215  0.370719  1
  Fe  Fe56  1  0.858194  0.279412  0.409221  1
  Fe  Fe57  1  0.454995  0.492077  0.348440  1
  Fe  Fe58  1  0.970451  0.046267  0.387322  1
  Fe  Fe59  1  0.988222  0.593292  0.420770  1
  Fe  Fe60  1  0.468441  0.039123  0.382476  1
  Fe  Fe61  1  0.580157  0.806106  0.360428  1
  Fe  Fe62  1  0.103488  0.360141  0.398947  1
  Fe  Fe63  1  0.081892  0.964366  0.363267  1
  Fe  Fe64  1  0.604113  0.518516  0.401663  1
  Fe  Fe65  1  0.382633  0.958791  0.401165  1
  Fe  Fe66  1  0.866372  0.404540  0.362786  1
  Fe  Fe67  1  0.306227  0.880208  0.370875  1
  Fe  Fe68  1  0.829280  0.434395  0.409297  1
  Fe  Fe69  1  0.813793  0.903811  0.387707  1
  Fe  Fe70  1  0.299602  0.349331  0.349493  1
  Fe  Fe71  1  0.890591  0.982392  0.417971  1
  Fe  Fe72  1  0.373884  0.428403  0.379750  1
  Fe  Fe73  1  0.073663  0.789865  0.348619  1
  Fe  Fe74  1  0.599028  0.344010  0.387150  1
  Fe  Fe75  1  0.576289  0.948431  0.351456  1
  Fe  Fe76  1  0.099665  0.502645  0.389845  1
  Fe  Fe77  1  0.730405  0.823542  0.406566  1
  Fe  Fe78  1  0.214246  0.268767  0.367548  1
  Fe  Fe79  1  0.227322  0.816153  0.401566  1
  Fe  Fe80  1  0.709248  0.262025  0.363090  1
  Fe  Fe81  1  0.380627  0.691512  0.456550  1
  Fe  Fe82  1  0.900693  0.245794  0.495045  1
  Fe  Fe83  1  0.881684  0.849853  0.459405  1
  Fe  Fe84  1  0.402574  0.404219  0.497853  1
  Fe  Fe85  1  0.182670  0.844457  0.497351  1
  Fe  Fe86  1  0.663994  0.290192  0.458858  1
  Fe  Fe87  1  0.106584  0.765701  0.467042  1
  Fe  Fe88  1  0.587012  0.211517  0.428579  1
  Fe  Fe89  1  0.613619  0.789226  0.483841  1
  Fe  Fe90  1  0.094922  0.235112  0.445400  1
  Fe  Fe91  1  0.651290  0.759499  0.437229  1
  Fe  Fe92  1  0.171665  0.313801  0.475676  1
  Fe  Fe93  1  0.876303  0.675406  0.444794  1
  Fe  Fe94  1  0.395812  0.229599  0.483320  1
  Fe  Fe95  1  0.377287  0.833696  0.447662  1
  Fe  Fe96  1  0.897761  0.387994  0.486126  1
  Fe  Fe97  1  0.492001  0.600623  0.425652  1
  Fe  Fe98  1  0.010256  0.154800  0.464188  1
  Fe  Fe99  1  0.026742  0.701797  0.497770  1
  Fe  Fe100  1  0.507053  0.147633  0.459324  1
  Fe  Fe101  1  0.619760  0.914438  0.437347  1
  Fe  Fe102  1  0.141292  0.468726  0.475817  1
  Fe  Fe103  1  0.121650  0.072829  0.440194  1
  Fe  Fe104  1  0.642326  0.626992  0.478634  1
  Fe  Fe105  1  0.422515  0.067306  0.478102  1
  Fe  Fe106  1  0.905105  0.513155  0.439609  1
  Fe  Fe107  1  0.345785  0.988610  0.447839  1
  Fe  Fe108  1  0.867362  0.542919  0.486255  1
  Fe  Fe109  1  0.853418  0.012224  0.464648  1
  Fe  Fe110  1  0.336092  0.457887  0.426117  1
  Fe  Fe111  1  0.930255  0.090911  0.494909  1
  Fe  Fe112  1  0.412059  0.536699  0.456414  1
  Fe  Fe113  1  0.114857  0.898215  0.425643  1
  Fe  Fe114  1  0.637077  0.452546  0.464083  1
  Fe  Fe115  1  0.616791  0.056655  0.428434  1
  Fe  Fe116  1  0.138060  0.610890  0.466872  1
  Fe  Fe117  1  0.769459  0.931948  0.483458  1
  Fe  Fe118  1  0.251729  0.377656  0.444931  1
  Fe  Fe119  1  0.266215  0.924679  0.478555  1
  Fe  Fe120  1  0.748930  0.370477  0.440096  1
  Fe  Fe121  1  0.418916  0.800029  0.533557  1
  Fe  Fe122  1  0.940186  0.354264  0.571995  1
  Fe  Fe123  1  0.919899  0.958373  0.536347  1
  Fe  Fe124  1  0.442119  0.512703  0.574786  1
  Fe  Fe125  1  0.220885  0.953031  0.574312  1
  Fe  Fe126  1  0.703558  0.398695  0.535782  1
  Fe  Fe127  1  0.144917  0.874220  0.544015  1
  Fe  Fe128  1  0.626721  0.320008  0.505520  1
  Fe  Fe129  1  0.651872  0.897764  0.560820  1
  Fe  Fe130  1  0.134461  0.343613  0.522327  1
  Fe  Fe131  1  0.689615  0.868000  0.514174  1
  Fe  Fe132  1  0.211192  0.422309  0.552591  1
  Fe  Fe133  1  0.914651  0.783926  0.521795  1
  Fe  Fe134  1  0.435326  0.338089  0.560235  1
  Fe  Fe135  1  0.415684  0.942193  0.524612  1
  Fe  Fe136  1  0.937216  0.496480  0.563082  1
  Fe  Fe137  1  0.530235  0.709122  0.502659  1
  Fe  Fe138  1  0.049923  0.263285  0.541105  1
  Fe  Fe139  1  0.064975  0.810295  0.574778  1
  Fe  Fe140  1  0.546721  0.256119  0.536241  1
  Fe  Fe141  1  0.659215  0.022925  0.514304  1
  Fe  Fe142  1  0.179689  0.577222  0.552767  1
  Fe  Fe143  1  0.161165  0.181319  0.517109  1
  Fe  Fe144  1  0.680674  0.735513  0.555636  1
  Fe  Fe145  1  0.462054  0.175806  0.555030  1
  Fe  Fe146  1  0.943357  0.621692  0.516589  1
  Fe  Fe147  1  0.385311  0.097117  0.524753  1
  Fe  Fe148  1  0.905686  0.651420  0.563200  1
  Fe  Fe149  1  0.892982  0.120727  0.541571  1
  Fe  Fe150  1  0.374307  0.566461  0.503078  1
  Fe  Fe151  1  0.969965  0.199402  0.571850  1
  Fe  Fe152  1  0.450392  0.645218  0.533387  1
  Fe  Fe153  1  0.154402  0.006700  0.502576  1
  Fe  Fe154  1  0.675292  0.561065  0.541024  1
  Fe  Fe155  1  0.656283  0.165124  0.505384  1
  Fe  Fe156  1  0.176350  0.719407  0.543879  1
  Fe  Fe157  1  0.808046  0.040441  0.560333  1
  Fe  Fe158  1  0.290761  0.486239  0.521874  1
  Fe  Fe159  1  0.305247  0.033263  0.555499  1
  Fe  Fe160  1  0.787517  0.478970  0.516971  1
  Fe  Fe161  1  0.457311  0.908274  0.610584  1
  Fe  Fe162  1  0.980687  0.462487  0.648973  1
  Fe  Fe163  1  0.957948  0.066909  0.613280  1
  Fe  Fe164  1  0.483313  0.621053  0.651811  1
  Fe  Fe165  1  0.257375  0.061587  0.650936  1
  Fe  Fe166  1  0.743183  0.507107  0.612723  1
  Fe  Fe167  1  0.183092  0.982516  0.620679  1
  Fe  Fe168  1  0.666385  0.428526  0.582458  1
  Fe  Fe169  1  0.690604  0.006378  0.637643  1
  Fe  Fe170  1  0.174343  0.452127  0.599265  1
  Fe  Fe171  1  0.727696  0.976524  0.591133  1
  Fe  Fe172  1  0.250749  0.530711  0.629555  1
  Fe  Fe173  1  0.952863  0.892402  0.598766  1
  Fe  Fe174  1  0.475084  0.446552  0.637162  1
  Fe  Fe175  1  0.453488  0.050777  0.601482  1
  Fe  Fe176  1  0.976819  0.604812  0.640002  1
  Fe  Fe177  1  0.568754  0.817627  0.579660  1
  Fe  Fe178  1  0.088536  0.371796  0.617954  1
  Fe  Fe179  1  0.101981  0.918842  0.651990  1
  Fe  Fe180  1  0.586525  0.364652  0.613108  1
  Fe  Fe181  1  0.698782  0.131507  0.591209  1
  Fe  Fe182  1  0.217926  0.685703  0.629710  1
  Fe  Fe183  1  0.200136  0.289824  0.593999  1
  Fe  Fe184  1  0.719534  0.843949  0.632712  1
  Fe  Fe185  1  0.500675  0.284407  0.631932  1
  Fe  Fe186  1  0.981708  0.730206  0.593590  1
  Fe  Fe187  1  0.424837  0.205483  0.601636  1
  Fe  Fe188  1  0.943862  0.759804  0.640174  1
  Fe  Fe189  1  0.933235  0.229254  0.618476  1
  Fe  Fe190  1  0.412640  0.674952  0.580046  1
  Fe  Fe191  1  0.008079  0.307900  0.648873  1
  Fe  Fe192  1  0.489113  0.753722  0.610380  1
  Fe  Fe193  1  0.193940  0.115238  0.579508  1
  Fe  Fe194  1  0.713685  0.669528  0.618000  1
  Fe  Fe195  1  0.695769  0.273614  0.582333  1
  Fe  Fe196  1  0.214757  0.827975  0.620969  1
  Fe  Fe197  1  0.847728  0.148894  0.637340  1
  Fe  Fe198  1  0.329654  0.594765  0.598863  1
  Fe  Fe199  1  0.342730  0.142152  0.632882  1
  Fe  Fe200  1  0.826571  0.587376  0.593863  1
  Fe  Fe201  1  0.493130  0.018302  0.686989  1
  Fe  Fe202  1  0.016558  0.551323  0.728795  1
  Fe  Fe203  1  0.993977  0.174895  0.690602  1
  Fe  Fe204  1  0.526278  0.729761  0.729018  1
  Fe  Fe205  1  0.291586  0.165914  0.727539  1
  Fe  Fe206  1  0.788018  0.615712  0.690310  1
  Fe  Fe207  1  0.221732  0.090524  0.696569  1
  Fe  Fe208  1  0.706231  0.536844  0.659293  1
  Fe  Fe209  1  0.731064  0.113361  0.716112  1
  Fe  Fe210  1  0.216394  0.560497  0.676369  1
  Fe  Fe211  1  0.765010  0.085116  0.667988  1
  Fe  Fe212  1  0.289452  0.638006  0.706472  1
  Fe  Fe213  1  0.991050  1.000163  0.675697  1
  Fe  Fe214  1  0.517463  0.551922  0.715002  1
  Fe  Fe215  1  0.494266  0.160071  0.678031  1
  Fe  Fe216  1  0.014851  0.711701  0.717140  1
  Fe  Fe217  1  0.606425  0.926168  0.656629  1
  Fe  Fe218  1  0.128187  0.479404  0.694879  1
  Fe  Fe219  1  0.080484  0.016733  0.727889  1
  Fe  Fe220  1  0.628401  0.472869  0.690254  1
  Fe  Fe221  1  0.743622  0.239048  0.668171  1
  Fe  Fe222  1  0.249136  0.794365  0.706809  1
  Fe  Fe223  1  0.235268  0.397930  0.670891  1
  Fe  Fe224  1  0.744955  0.950835  0.710009  1
  Fe  Fe225  1  0.540200  0.389912  0.708983  1
  Fe  Fe226  1  0.019649  0.838740  0.670569  1
  Fe  Fe227  1  0.467436  0.313028  0.677562  1
  Fe  Fe228  1  0.980509  0.869074  0.717895  1
  Fe  Fe229  1  0.976506  0.337396  0.695697  1
  Fe  Fe230  1  0.449784  0.783254  0.657082  1
  Fe  Fe231  1  0.044714  0.414956  0.725813  1
  Fe  Fe232  1  0.524952  0.861982  0.687623  1
  Fe  Fe233  1  0.233350  0.223505  0.656467  1
  Fe  Fe234  1  0.749581  0.777723  0.694810  1
  Fe  Fe235  1  0.732968  0.382114  0.659156  1
  Fe  Fe236  1  0.252686  0.936934  0.697284  1
  Fe  Fe237  1  0.882120  0.256085  0.713990  1
  Fe  Fe238  1  0.367991  0.703375  0.675886  1
  Fe  Fe239  1  0.383861  0.249945  0.707638  1
  Fe  Fe240  1  0.863664  0.695507  0.670942  1
  C  C241  1  0.464377  0.649008  0.325100  1
  C  C242  1  0.944535  0.094780  0.287587  1
  C  C243  1  0.667220  0.506622  0.316448  1
  C  C244  1  0.144269  0.954796  0.278612  1
  C  C245  1  0.152484  0.438827  0.272156  1
  C  C246  1  0.662897  0.997428  0.309709  1
  C  C247  1  0.944091  0.583769  0.280594  1
  C  C248  1  0.454585  0.139533  0.317923  1
  C  C249  1  0.699538  0.871593  0.306068  1
  C  C250  1  0.224316  0.425692  0.344629  1
  C  C251  1  0.905903  0.729583  0.297493  1
  C  C252  1  0.425316  0.283907  0.335552  1
  C  C253  1  0.416473  0.774038  0.329115  1
  C  C254  1  0.907155  0.220972  0.290307  1
  C  C255  1  0.215472  0.916368  0.337410  1
  C  C256  1  0.700562  0.362055  0.299266  1
  C  C257  1  0.501506  0.757153  0.402107  1
  C  C258  1  0.981388  0.202618  0.363708  1
  C  C259  1  0.702957  0.614881  0.393582  1
  C  C260  1  0.184841  0.060586  0.355436  1
  C  C261  1  0.179196  0.551230  0.348032  1
  C  C262  1  0.698436  0.105462  0.386694  1
  C  C263  1  0.978050  0.693373  0.356625  1
  C  C264  1  0.497102  0.247663  0.395091  1
  C  C265  1  0.739644  0.980067  0.382886  1
  C  C266  1  0.262097  0.534312  0.421298  1
  C  C267  1  0.941332  0.837929  0.374508  1
  C  C268  1  0.464721  0.392033  0.412975  1
  C  C269  1  0.456760  0.882502  0.405975  1
  C  C270  1  0.941292  0.328078  0.367580  1
  C  C271  1  0.255639  0.024661  0.414431  1
  C  C272  1  0.738812  0.470548  0.375837  1
  C  C273  1  0.539730  0.865630  0.479055  1
  C  C274  1  0.021095  0.311414  0.440581  1
  C  C275  1  0.741707  0.723398  0.470617  1
  C  C276  1  0.222131  0.169220  0.432181  1
  C  C277  1  0.218248  0.659585  0.425152  1
  C  C278  1  0.737802  0.213862  0.463669  1
  C  C279  1  0.016185  0.801780  0.433617  1
  C  C280  1  0.536645  0.356069  0.472083  1
  C  C281  1  0.779506  0.088578  0.459819  1
  C  C282  1  0.300366  0.642814  0.498273  1
  C  C283  1  0.980768  0.946348  0.451420  1
  C  C284  1  0.502440  0.500640  0.489854  1
  C  C285  1  0.496429  0.990956  0.482932  1
  C  C286  1  0.978982  0.436783  0.444422  1
  C  C287  1  0.295242  0.133185  0.491333  1
  C  C288  1  0.776954  0.578987  0.452820  1
  C  C289  1  0.577994  0.974136  0.556007  1
  C  C290  1  0.060547  0.419962  0.517497  1
  C  C291  1  0.780022  0.831931  0.547609  1
  C  C292  1  0.261735  0.277734  0.509096  1
  C  C293  1  0.256611  0.768105  0.502157  1
  C  C294  1  0.777471  0.322341  0.540610  1
  C  C295  1  0.054537  0.910278  0.510576  1
  C  C296  1  0.576208  0.464571  0.549010  1
  C  C297  1  0.819174  0.197056  0.536761  1
  C  C298  1  0.338728  0.751333  0.575277  1
  C  C299  1  0.020331  0.054849  0.528346  1
  C  C300  1  0.540791  0.609139  0.566812  1
  C  C301  1  0.535881  0.099505  0.559849  1
  C  C302  1  0.017247  0.545288  0.521375  1
  C  C303  1  0.334845  0.241698  0.568249  1
  C  C304  1  0.815270  0.687521  0.529812  1
  C  C305  1  0.615684  0.082841  0.632850  1
  C  C306  1  0.100216  0.528416  0.594455  1
  C  C307  1  0.818165  0.940371  0.624592  1
  C  C308  1  0.301337  0.386257  0.585999  1
  C  C309  1  0.294880  0.876607  0.579132  1
  C  C310  1  0.817332  0.430851  0.617543  1
  C  C311  1  0.092256  0.018886  0.587454  1
  C  C312  1  0.615645  0.572990  0.625922  1
  C  C313  1  0.858540  0.305457  0.613735  1
  C  C314  1  0.377780  0.859688  0.652398  1
  C  C315  1  0.059875  0.163255  0.605339  1
  C  C316  1  0.578926  0.717545  0.643805  1
  C  C317  1  0.575588  0.208300  0.636721  1
  C  C318  1  0.055471  0.653766  0.598322  1
  C  C319  1  0.372135  0.350333  0.644993  1
  C  C320  1  0.854020  0.796038  0.606848  1
  C  C321  1  0.649822  0.189947  0.710123  1
  C  C322  1  0.140504  0.636881  0.671314  1
  C  C323  1  0.856414  0.048864  0.701163  1
  C  C324  1  0.341504  0.494551  0.663020  1
  C  C325  1  0.332660  0.985227  0.655800  1
  C  C326  1  0.857439  0.539325  0.694361  1
  C  C327  1  0.131660  0.127011  0.664877  1
  C  C328  1  0.651074  0.681336  0.702937  1
  C  C329  1  0.894079  0.413490  0.690721  1
  C  C330  1  0.404492  0.972092  0.728273  1
  C  C331  1  0.102391  0.271385  0.682506  1
  C  C332  1  0.612886  0.827150  0.719835  1
  C  C333  1  0.612441  0.316139  0.712842  1
  C  C334  1  0.092599  0.761910  0.675329  1
  C  C335  1  0.412708  0.456122  0.721818  1
  C  C336  1  0.889756  0.904296  0.683981  1
