# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74130004
_cell_length_b   9.65830474
_cell_length_c   49.35660744
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.74762264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe100 C40'
_cell_volume   2714.98850232
_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  0.018370  0.955522  0.360556  1
  Fe  Fe2  1  0.590327  0.349072  0.317966  1
  Fe  Fe3  1  0.334026  0.248294  0.346639  1
  Fe  Fe4  1  0.910652  0.654457  0.304270  1
  Fe  Fe5  1  0.021204  0.196289  0.371089  1
  Fe  Fe6  1  0.599923  0.597466  0.329505  1
  Fe  Fe7  1  0.994853  0.186273  0.319507  1
  Fe  Fe8  1  0.429287  0.782637  0.361926  1
  Fe  Fe9  1  0.499121  0.824392  0.303447  1
  Fe  Fe10  1  0.923966  0.421543  0.344684  1
  Fe  Fe11  1  0.157622  0.796612  0.324605  1
  Fe  Fe12  1  0.579249  0.392664  0.366871  1
  Fe  Fe13  1  0.699383  0.065191  0.331862  1
  Fe  Fe14  1  0.125916  0.662696  0.373038  1
  Fe  Fe15  1  0.325291  0.208302  0.296867  1
  Fe  Fe16  1  0.774374  0.811445  0.340573  1
  Fe  Fe17  1  0.330280  0.008705  0.336058  1
  Fe  Fe18  1  0.908091  0.411334  0.293944  1
  Fe  Fe19  1  0.804723  0.955406  0.291622  1
  Fe  Fe20  1  0.227794  0.538398  0.332612  1
  Fe  Fe21  1  0.872605  0.151561  0.443824  1
  Fe  Fe22  1  0.446790  0.553043  0.401830  1
  Fe  Fe23  1  0.186693  0.446183  0.429681  1
  Fe  Fe24  1  0.760543  0.846166  0.387967  1
  Fe  Fe25  1  0.874706  0.393141  0.454215  1
  Fe  Fe26  1  0.448132  0.793319  0.412529  1
  Fe  Fe27  1  0.854905  0.381479  0.403454  1
  Fe  Fe28  1  0.281293  0.980035  0.445037  1
  Fe  Fe29  1  0.350971  0.018384  0.386931  1
  Fe  Fe30  1  0.778789  0.616399  0.428236  1
  Fe  Fe31  1  0.007535  0.991181  0.408246  1
  Fe  Fe32  1  0.435278  0.589930  0.450046  1
  Fe  Fe33  1  0.553054  0.261141  0.414903  1
  Fe  Fe34  1  0.980131  0.859000  0.456434  1
  Fe  Fe35  1  0.197355  0.408216  0.381612  1
  Fe  Fe36  1  0.625240  0.006802  0.423575  1
  Fe  Fe37  1  0.184076  0.204224  0.419353  1
  Fe  Fe38  1  0.761166  0.605040  0.376833  1
  Fe  Fe39  1  0.652887  0.140092  0.375319  1
  Fe  Fe40  1  0.079719  0.737384  0.416890  1
  Fe  Fe41  1  0.727354  0.348480  0.527021  1
  Fe  Fe42  1  0.300336  0.749594  0.485330  1
  Fe  Fe43  1  0.041308  0.642205  0.513039  1
  Fe  Fe44  1  0.614290  0.043319  0.471347  1
  Fe  Fe45  1  0.729459  0.589403  0.537580  1
  Fe  Fe46  1  0.302382  0.990758  0.495915  1
  Fe  Fe47  1  0.708641  0.578394  0.486724  1
  Fe  Fe48  1  0.136181  0.176524  0.528324  1
  Fe  Fe49  1  0.205464  0.215275  0.470044  1
  Fe  Fe50  1  0.633004  0.813405  0.511645  1
  Fe  Fe51  1  0.862005  0.188122  0.491605  1
  Fe  Fe52  1  0.289670  0.786427  0.533410  1
  Fe  Fe53  1  0.407426  0.457782  0.498083  1
  Fe  Fe54  1  0.834599  0.055413  0.539835  1
  Fe  Fe55  1  0.051974  0.605372  0.464959  1
  Fe  Fe56  1  0.479639  0.203677  0.506764  1
  Fe  Fe57  1  0.039262  0.401041  0.502454  1
  Fe  Fe58  1  0.612184  0.802396  0.460789  1
  Fe  Fe59  1  0.507045  0.336386  0.458534  1
  Fe  Fe60  1  0.934218  0.934018  0.500286  1
  Fe  Fe61  1  0.581101  0.545633  0.610402  1
  Fe  Fe62  1  0.154952  0.945616  0.568688  1
  Fe  Fe63  1  0.894854  0.838756  0.596539  1
  Fe  Fe64  1  0.469040  0.240238  0.554545  1
  Fe  Fe65  1  0.580478  0.786759  0.621536  1
  Fe  Fe66  1  0.157568  0.187575  0.579016  1
  Fe  Fe67  1  0.562855  0.775401  0.570133  1
  Fe  Fe68  1  0.990673  0.373415  0.611437  1
  Fe  Fe69  1  0.060351  0.411764  0.553332  1
  Fe  Fe70  1  0.486739  0.010320  0.594915  1
  Fe  Fe71  1  0.716404  0.384997  0.574794  1
  Fe  Fe72  1  0.144289  0.983583  0.616756  1
  Fe  Fe73  1  0.261925  0.654415  0.581479  1
  Fe  Fe74  1  0.688758  0.251708  0.623050  1
  Fe  Fe75  1  0.906366  0.801869  0.548323  1
  Fe  Fe76  1  0.334109  0.400618  0.590123  1
  Fe  Fe77  1  0.893512  0.598480  0.585840  1
  Fe  Fe78  1  0.466937  0.998658  0.544154  1
  Fe  Fe79  1  0.361514  0.532799  0.541935  1
  Fe  Fe80  1  0.788590  0.130658  0.583466  1
  Fe  Fe81  1  0.430992  0.737342  0.694098  1
  Fe  Fe82  1  0.007618  0.143505  0.651730  1
  Fe  Fe83  1  0.751317  0.042728  0.680402  1
  Fe  Fe84  1  0.323274  0.436277  0.637813  1
  Fe  Fe85  1  0.433552  0.980465  0.704425  1
  Fe  Fe86  1  0.011363  0.383094  0.662311  1
  Fe  Fe87  1  0.417677  0.970256  0.653684  1
  Fe  Fe88  1  0.842523  0.567407  0.694922  1
  Fe  Fe89  1  0.912357  0.609162  0.636442  1
  Fe  Fe90  1  0.346792  0.205526  0.678862  1
  Fe  Fe91  1  0.567270  0.580354  0.657796  1
  Fe  Fe92  1  0.016353  0.183497  0.701501  1
  Fe  Fe93  1  0.113850  0.853402  0.665757  1
  Fe  Fe94  1  0.536921  0.436393  0.706747  1
  Fe  Fe95  1  0.762395  0.999135  0.631498  1
  Fe  Fe96  1  0.184022  0.595188  0.673764  1
  Fe  Fe97  1  0.741722  0.794333  0.668864  1
  Fe  Fe98  1  0.320440  0.195510  0.627279  1
  Fe  Fe99  1  0.215728  0.729104  0.625331  1
  Fe  Fe100  1  0.642261  0.326608  0.666507  1
  C  C101  1  0.012695  0.986710  0.322094  1
  C  C102  1  0.438686  0.583109  0.363318  1
  C  C103  1  0.586850  0.955961  0.360490  1
  C  C104  1  0.160462  0.354094  0.318648  1
  C  C105  1  0.765085  0.248977  0.346598  1
  C  C106  1  0.345100  0.651242  0.304900  1
  C  C107  1  0.488453  0.023951  0.302063  1
  C  C108  1  0.917283  0.620802  0.342687  1
  C  C109  1  0.866466  0.181933  0.405331  1
  C  C110  1  0.293844  0.780431  0.446843  1
  C  C111  1  0.441728  0.152309  0.443677  1
  C  C112  1  0.014463  0.553680  0.401781  1
  C  C113  1  0.618234  0.445111  0.429729  1
  C  C114  1  0.191489  0.845973  0.388104  1
  C  C115  1  0.339321  0.217938  0.385129  1
  C  C116  1  0.765991  0.816006  0.426465  1
  C  C117  1  0.720998  0.378798  0.488524  1
  C  C118  1  0.148298  0.976956  0.530216  1
  C  C119  1  0.296128  0.349108  0.526885  1
  C  C120  1  0.868873  0.750309  0.485237  1
  C  C121  1  0.472771  0.641490  0.513132  1
  C  C122  1  0.045516  0.042692  0.471484  1
  C  C123  1  0.193346  0.414843  0.468153  1
  C  C124  1  0.620647  0.013002  0.509844  1
  C  C125  1  0.575653  0.575794  0.571904  1
  C  C126  1  0.002323  0.173861  0.613240  1
  C  C127  1  0.150155  0.545826  0.610265  1
  C  C128  1  0.723410  0.946688  0.568640  1
  C  C129  1  0.327181  0.838119  0.596588  1
  C  C130  1  0.899916  0.239490  0.554692  1
  C  C131  1  0.047800  0.611368  0.551526  1
  C  C132  1  0.475177  0.209866  0.593037  1
  C  C133  1  0.424360  0.770997  0.655682  1
  C  C134  1  0.853191  0.367848  0.696306  1
  C  C135  1  0.996544  0.740557  0.693469  1
  C  C136  1  0.576560  0.142822  0.651771  1
  C  C137  1  0.181181  0.037704  0.679721  1
  C  C138  1  0.754793  0.435838  0.637878  1
  C  C139  1  0.902958  0.808690  0.635051  1
  C  C140  1  0.328950  0.405089  0.676275  1
