# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79341840
_cell_length_b   10.12618070
_cell_length_c   52.72678740
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.43531769
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe100 C40'
_cell_volume   2489.2656869
_cell_formula_units_Z   20
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  0.903425  0.150029  0.290126  1
  Fe  Fe2  1  0.722325  0.766086  0.337159  1
  Fe  Fe3  1  0.561510  0.745694  0.295031  1
  Fe  Fe4  1  0.362659  0.351247  0.340144  1
  Fe  Fe5  1  0.129117  0.950642  0.342457  1
  Fe  Fe6  1  0.312992  0.341493  0.296826  1
  Fe  Fe7  1  0.441580  0.144800  0.320399  1
  Fe  Fe8  1  0.651663  0.538728  0.275020  1
  Fe  Fe9  1  0.640949  0.970011  0.357112  1
  Fe  Fe10  1  0.838294  0.363310  0.311376  1
  Fe  Fe11  1  0.670940  0.962482  0.314706  1
  Fe  Fe12  1  0.474161  0.567477  0.359546  1
  Fe  Fe13  1  0.323851  0.055431  0.281340  1
  Fe  Fe14  1  0.125925  0.656024  0.327741  1
  Fe  Fe15  1  0.825156  0.938535  0.270965  1
  Fe  Fe16  1  0.612731  0.549586  0.318554  1
  Fe  Fe17  1  0.956670  0.166425  0.334063  1
  Fe  Fe18  1  0.153565  0.562214  0.288763  1
  Fe  Fe19  1  0.160249  0.851557  0.304238  1
  Fe  Fe20  1  0.964566  0.459354  0.349886  1
  Fe  Fe21  1  0.527265  0.370763  0.382078  1
  Fe  Fe22  1  0.331639  0.977683  0.427738  1
  Fe  Fe23  1  0.165144  0.957617  0.385723  1
  Fe  Fe24  1  0.971656  0.564067  0.431361  1
  Fe  Fe25  1  0.738717  0.162441  0.433793  1
  Fe  Fe26  1  0.934671  0.555439  0.388455  1
  Fe  Fe27  1  0.053285  0.358829  0.410916  1
  Fe  Fe28  1  0.249911  0.753218  0.365648  1
  Fe  Fe29  1  0.250128  0.182604  0.448030  1
  Fe  Fe30  1  0.444933  0.576362  0.402596  1
  Fe  Fe31  1  0.278336  0.173009  0.404855  1
  Fe  Fe32  1  0.082825  0.779940  0.450368  1
  Fe  Fe33  1  0.923665  0.263322  0.372428  1
  Fe  Fe34  1  0.729612  0.869639  0.418041  1
  Fe  Fe35  1  0.415589  0.156489  0.363135  1
  Fe  Fe36  1  0.220042  0.761945  0.408653  1
  Fe  Fe37  1  0.564080  0.379036  0.425175  1
  Fe  Fe38  1  0.759328  0.773560  0.379856  1
  Fe  Fe39  1  0.768683  0.065846  0.395435  1
  Fe  Fe40  1  0.572911  0.672057  0.440980  1
  Fe  Fe41  1  0.136429  0.584093  0.473185  1
  Fe  Fe42  1  0.941557  0.190689  0.518670  1
  Fe  Fe43  1  0.776310  0.170596  0.476799  1
  Fe  Fe44  1  0.581439  0.777192  0.522285  1
  Fe  Fe45  1  0.348753  0.375601  0.524776  1
  Fe  Fe46  1  0.543614  0.769016  0.479316  1
  Fe  Fe47  1  0.662655  0.571962  0.501947  1
  Fe  Fe48  1  0.857725  0.965484  0.456451  1
  Fe  Fe49  1  0.860144  0.395801  0.539018  1
  Fe  Fe50  1  0.055213  0.789323  0.493522  1
  Fe  Fe51  1  0.887859  0.386408  0.495833  1
  Fe  Fe52  1  0.692830  0.993183  0.541340  1
  Fe  Fe53  1  0.535382  0.476041  0.463547  1
  Fe  Fe54  1  0.339746  0.082709  0.509029  1
  Fe  Fe55  1  0.025037  0.368101  0.454129  1
  Fe  Fe56  1  0.830009  0.974877  0.499636  1
  Fe  Fe57  1  0.174254  0.592268  0.516153  1
  Fe  Fe58  1  0.369115  0.985683  0.470693  1
  Fe  Fe59  1  0.378122  0.278575  0.486440  1
  Fe  Fe60  1  0.182486  0.885244  0.531922  1
  Fe  Fe61  1  0.746210  0.797218  0.564108  1
  Fe  Fe62  1  0.552718  0.403670  0.609746  1
  Fe  Fe63  1  0.386229  0.383601  0.567731  1
  Fe  Fe64  1  0.190603  0.990522  0.613391  1
  Fe  Fe65  1  0.958538  0.587726  0.615613  1
  Fe  Fe66  1  0.153788  0.982249  0.570294  1
  Fe  Fe67  1  0.272934  0.784922  0.592873  1
  Fe  Fe68  1  0.467739  0.178681  0.547439  1
  Fe  Fe69  1  0.467959  0.608067  0.629821  1
  Fe  Fe70  1  0.664584  1.002456  0.584553  1
  Fe  Fe71  1  0.497823  0.599339  0.586816  1
  Fe  Fe72  1  0.302272  0.204793  0.632334  1
  Fe  Fe73  1  0.144957  0.689227  0.554489  1
  Fe  Fe74  1  0.949185  0.295438  0.600034  1
  Fe  Fe75  1  0.635044  0.581345  0.545101  1
  Fe  Fe76  1  0.439534  0.188276  0.590614  1
  Fe  Fe77  1  0.783197  0.805847  0.607014  1
  Fe  Fe78  1  0.979151  0.198844  0.561676  1
  Fe  Fe79  1  0.988255  0.491646  0.577428  1
  Fe  Fe80  1  0.794202  0.097963  0.623041  1
  Fe  Fe81  1  0.355195  0.010044  0.655325  1
  Fe  Fe82  1  0.156326  0.615602  0.700437  1
  Fe  Fe83  1  0.995540  0.595200  0.658310  1
  Fe  Fe84  1  0.814441  0.211256  0.705343  1
  Fe  Fe85  1  0.564286  0.799080  0.706706  1
  Fe  Fe86  1  0.761193  0.194862  0.661406  1
  Fe  Fe87  1  0.879566  0.997972  0.684093  1
  Fe  Fe88  1  0.076916  0.391273  0.638357  1
  Fe  Fe89  1  0.066205  0.822556  0.720449  1
  Fe  Fe90  1  0.276288  0.216484  0.675071  1
  Fe  Fe91  1  0.105118  0.811693  0.676916  1
  Fe  Fe92  1  0.892710  0.422749  0.724505  1
  Fe  Fe93  1  0.753302  0.901931  0.645583  1
  Fe  Fe94  1  0.557619  0.509728  0.691231  1
  Fe  Fe95  1  0.243712  0.793809  0.635923  1
  Fe  Fe96  1  0.046927  0.398803  0.680763  1
  Fe  Fe97  1  0.404875  0.019791  0.698643  1
  Fe  Fe98  1  0.588750  0.410644  0.653012  1
  Fe  Fe99  1  0.591937  0.705262  0.667727  1
  Fe  Fe100  1  0.394017  0.305853  0.714129  1
  C  C101  1  0.076323  0.033237  0.310515  1
  C  C102  1  0.880398  0.641620  0.356950  1
  C  C103  1  0.696978  0.277937  0.342907  1
  C  C104  1  0.894723  0.672222  0.298624  1
  C  C105  1  0.385636  0.837165  0.333869  1
  C  C106  1  0.581107  0.232693  0.289067  1
  C  C107  1  0.418361  0.877046  0.275808  1
  C  C108  1  0.205828  0.476087  0.320350  1
  C  C109  1  0.684498  0.246869  0.402091  1
  C  C110  1  0.489139  0.853375  0.447614  1
  C  C111  1  0.306452  0.491209  0.434205  1
  C  C112  1  0.500712  0.885498  0.388729  1
  C  C113  1  0.996632  0.050308  0.424825  1
  C  C114  1  0.192277  0.443504  0.379278  1
  C  C115  1  0.009350  0.082565  0.365867  1
  C  C116  1  0.813877  0.688116  0.411441  1
  C  C117  1  0.294152  0.459898  0.493071  1
  C  C118  1  0.099158  0.066596  0.538594  1
  C  C119  1  0.916205  0.704321  0.525131  1
  C  C120  1  0.111177  0.097811  0.479658  1
  C  C121  1  0.606692  0.263473  0.515812  1
  C  C122  1  0.801662  0.656963  0.470339  1
  C  C123  1  0.618711  0.294689  0.456875  1
  C  C124  1  0.423716  0.901386  0.502398  1
  C  C125  1  0.903994  0.673168  0.584029  1
  C  C126  1  0.708527  0.278719  0.629603  1
  C  C127  1  0.525590  0.917780  0.616191  1
  C  C128  1  0.721235  0.310976  0.570645  1
  C  C129  1  0.217165  0.475785  0.606740  1
  C  C130  1  0.411419  0.870076  0.561264  1
  C  C131  1  0.228728  0.507909  0.547855  1
  C  C132  1  0.033367  0.114415  0.593378  1
  C  C133  1  0.512066  0.885196  0.675120  1
  C  C134  1  0.299514  0.484233  0.719662  1
  C  C135  1  0.136762  0.128591  0.706403  1
  C  C136  1  0.332236  0.524119  0.661600  1
  C  C137  1  0.823205  0.689052  0.696845  1
  C  C138  1  0.020911  0.083345  0.652562  1
  C  C139  1  0.837463  0.719663  0.638520  1
  C  C140  1  0.641546  0.328048  0.684955  1
