# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56371829
_cell_length_b   13.04091518
_cell_length_c   49.48442080
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.06359928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe120 C48'
_cell_volume   2940.85941099
_cell_formula_units_Z   24
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  0.564909  0.635443  0.288139  1
  Fe  Fe2  1  0.512091  0.305559  0.329240  1
  Fe  Fe3  1  0.731448  0.296537  0.285900  1
  Fe  Fe4  1  0.680471  0.957508  0.324773  1
  Fe  Fe5  1  0.858227  0.574129  0.325399  1
  Fe  Fe6  1  0.920034  0.907018  0.286659  1
  Fe  Fe7  1  0.347739  0.500167  0.334130  1
  Fe  Fe8  1  0.404843  0.832706  0.295758  1
  Fe  Fe9  1  0.844512  0.763182  0.320591  1
  Fe  Fe10  1  0.898125  0.099691  0.281810  1
  Fe  Fe11  1  0.082609  0.685855  0.281403  1
  Fe  Fe12  1  0.020765  0.355703  0.323774  1
  Fe  Fe13  1  0.390907  0.456641  0.290565  1
  Fe  Fe14  1  0.345143  0.120404  0.328277  1
  Fe  Fe15  1  0.225735  0.243158  0.292306  1
  Fe  Fe16  1  0.169708  0.907508  0.331808  1
  Fe  Fe17  1  0.327509  0.690965  0.328913  1
  Fe  Fe18  1  0.388318  0.030102  0.289746  1
  Fe  Fe19  1  0.899965  0.481429  0.287770  1
  Fe  Fe20  1  0.851341  0.139385  0.326241  1
  Fe  Fe21  1  0.456635  0.966879  0.367953  1
  Fe  Fe22  1  0.399040  0.629331  0.406171  1
  Fe  Fe23  1  0.621358  0.620674  0.363722  1
  Fe  Fe24  1  0.566032  0.283191  0.401874  1
  Fe  Fe25  1  0.748214  0.897172  0.402791  1
  Fe  Fe26  1  0.806096  0.234208  0.364016  1
  Fe  Fe27  1  0.234090  0.823381  0.411256  1
  Fe  Fe28  1  0.291818  0.160941  0.372520  1
  Fe  Fe29  1  0.731673  0.089136  0.397113  1
  Fe  Fe30  1  0.788056  0.426614  0.358660  1
  Fe  Fe31  1  0.965960  0.016996  0.361637  1
  Fe  Fe32  1  0.909587  0.680455  0.400477  1
  Fe  Fe33  1  0.289138  0.784255  0.366877  1
  Fe  Fe34  1  0.231764  0.446198  0.405066  1
  Fe  Fe35  1  0.111532  0.569301  0.369712  1
  Fe  Fe36  1  0.056401  0.232471  0.408000  1
  Fe  Fe37  1  0.217022  0.015594  0.405614  1
  Fe  Fe38  1  0.274192  0.352546  0.367076  1
  Fe  Fe39  1  0.790006  0.804688  0.364899  1
  Fe  Fe40  1  0.733981  0.466006  0.403046  1
  Fe  Fe41  1  0.342942  0.291884  0.444621  1
  Fe  Fe42  1  0.285999  0.954513  0.483113  1
  Fe  Fe43  1  0.509264  0.945660  0.440421  1
  Fe  Fe44  1  0.452879  0.608106  0.478836  1
  Fe  Fe45  1  0.635106  0.222080  0.479434  1
  Fe  Fe46  1  0.691563  0.559516  0.441047  1
  Fe  Fe47  1  0.120793  0.148438  0.487886  1
  Fe  Fe48  1  0.177776  0.485679  0.449510  1
  Fe  Fe49  1  0.617951  0.414035  0.473916  1
  Fe  Fe50  1  0.674162  0.751653  0.435633  1
  Fe  Fe51  1  0.852523  0.342341  0.438492  1
  Fe  Fe52  1  0.795888  0.005080  0.477007  1
  Fe  Fe53  1  0.175544  0.108888  0.443475  1
  Fe  Fe54  1  0.118026  0.771245  0.481996  1
  Fe  Fe55  1  0.999466  0.895194  0.446497  1
  Fe  Fe56  1  0.942888  0.557342  0.484854  1
  Fe  Fe57  1  0.103849  0.340425  0.482372  1
  Fe  Fe58  1  0.160969  0.677972  0.444066  1
  Fe  Fe59  1  0.676804  0.128916  0.441514  1
  Fe  Fe60  1  0.620489  0.791226  0.479956  1
  Fe  Fe61  1  0.229059  0.616963  0.521428  1
  Fe  Fe62  1  0.172674  0.279409  0.559843  1
  Fe  Fe63  1  0.395939  0.270556  0.517151  1
  Fe  Fe64  1  0.338996  0.933185  0.555643  1
  Fe  Fe65  1  0.520969  0.547097  0.556198  1
  Fe  Fe66  1  0.578089  0.884644  0.517891  1
  Fe  Fe67  1  0.007775  0.473416  0.564631  1
  Fe  Fe68  1  0.063987  0.811035  0.526348  1
  Fe  Fe69  1  0.504162  0.739390  0.550753  1
  Fe  Fe70  1  0.561144  0.076631  0.512378  1
  Fe  Fe71  1  0.739050  0.667728  0.515410  1
  Fe  Fe72  1  0.682471  0.329875  0.553767  1
  Fe  Fe73  1  0.061449  0.433843  0.520307  1
  Fe  Fe74  1  0.005134  0.096153  0.558750  1
  Fe  Fe75  1  0.886049  0.219990  0.523257  1
  Fe  Fe76  1  0.829415  0.882728  0.561772  1
  Fe  Fe77  1  0.990374  0.665553  0.559217  1
  Fe  Fe78  1  0.046832  0.002989  0.520830  1
  Fe  Fe79  1  0.563911  0.453824  0.518268  1
  Fe  Fe80  1  0.506393  0.116181  0.556788  1
  Fe  Fe81  1  0.115905  0.941878  0.598389  1
  Fe  Fe82  1  0.060579  0.604396  0.636541  1
  Fe  Fe83  1  0.282898  0.595738  0.594092  1
  Fe  Fe84  1  0.225302  0.258190  0.632311  1
  Fe  Fe85  1  0.407746  0.872524  0.633188  1
  Fe  Fe86  1  0.464915  0.209475  0.594650  1
  Fe  Fe87  1  0.893881  0.798455  0.641604  1
  Fe  Fe88  1  0.950265  0.135933  0.603151  1
  Fe  Fe89  1  0.390120  0.064129  0.627744  1
  Fe  Fe90  1  0.447848  0.401688  0.589008  1
  Fe  Fe91  1  0.625537  0.992598  0.592264  1
  Fe  Fe92  1  0.570406  0.655768  0.630551  1
  Fe  Fe93  1  0.947956  0.759063  0.597218  1
  Fe  Fe94  1  0.891931  0.420382  0.635365  1
  Fe  Fe95  1  0.772351  0.544615  0.599787  1
  Fe  Fe96  1  0.715978  0.208073  0.638627  1
  Fe  Fe97  1  0.875842  0.990861  0.636248  1
  Fe  Fe98  1  0.933724  0.327897  0.597473  1
  Fe  Fe99  1  0.450174  0.778872  0.595198  1
  Fe  Fe100  1  0.392800  0.440814  0.633387  1
  Fe  Fe101  1  0.001466  0.267562  0.675491  1
  Fe  Fe102  1  0.950490  0.928532  0.714364  1
  Fe  Fe103  1  0.169846  0.919511  0.671024  1
  Fe  Fe104  1  0.117029  0.589626  0.712125  1
  Fe  Fe105  1  0.293619  0.194967  0.710518  1
  Fe  Fe106  1  0.354428  0.534105  0.671351  1
  Fe  Fe107  1  0.783813  0.125378  0.718454  1
  Fe  Fe108  1  0.837425  0.461887  0.679673  1
  Fe  Fe109  1  0.277095  0.392363  0.704506  1
  Fe  Fe110  1  0.334199  0.724903  0.666134  1
  Fe  Fe111  1  0.512229  0.317561  0.668456  1
  Fe  Fe112  1  0.456202  0.981911  0.707958  1
  Fe  Fe113  1  0.830596  0.085684  0.674022  1
  Fe  Fe114  1  0.781972  0.743640  0.712494  1
  Fe  Fe115  1  0.661172  0.869367  0.676490  1
  Fe  Fe116  1  0.599328  0.539214  0.718861  1
  Fe  Fe117  1  0.761904  0.318051  0.713605  1
  Fe  Fe118  1  0.823711  0.650941  0.674865  1
  Fe  Fe119  1  0.336795  0.104665  0.671987  1
  Fe  Fe120  1  0.291030  0.768428  0.709699  1
  C  C121  1  0.209450  0.576481  0.303890  1
  C  C122  1  0.155439  0.237466  0.342242  1
  C  C123  1  0.506231  0.825828  0.335037  1
  C  C124  1  0.566212  0.164345  0.296876  1
  C  C125  1  0.686566  0.437990  0.319652  1
  C  C126  1  0.749416  0.769846  0.282820  1
  C  C127  1  0.096195  0.364264  0.274810  1
  C  C128  1  0.040758  0.023050  0.311799  1
  C  C129  1  0.098084  0.900598  0.381098  1
  C  C130  1  0.041160  0.562584  0.419319  1
  C  C131  1  0.392621  0.150884  0.411671  1
  C  C132  1  0.448447  0.487976  0.373222  1
  C  C133  1  0.573192  0.761844  0.396643  1
  C  C134  1  0.630408  0.098917  0.357949  1
  C  C135  1  0.980818  0.687688  0.351052  1
  C  C136  1  0.924773  0.349595  0.388828  1
  C  C137  1  0.984448  0.225266  0.457667  1
  C  C138  1  0.927465  0.887834  0.496130  1
  C  C139  1  0.279045  0.475725  0.488525  1
  C  C140  1  0.335257  0.813414  0.450218  1
  C  C141  1  0.459884  0.086763  0.473313  1
  C  C142  1  0.516764  0.424183  0.434856  1
  C  C143  1  0.867598  0.012397  0.427370  1
  C  C144  1  0.811377  0.674742  0.465797  1
  C  C145  1  0.870560  0.550327  0.534467  1
  C  C146  1  0.814339  0.212672  0.572894  1
  C  C147  1  0.165174  0.800887  0.565408  1
  C  C148  1  0.222053  0.138307  0.526951  1
  C  C149  1  0.346680  0.411655  0.550045  1
  C  C150  1  0.402892  0.749344  0.511739  1
  C  C151  1  0.754472  0.337236  0.504134  1
  C  C152  1  0.697490  0.999804  0.542597  1
  C  C153  1  0.757165  0.875474  0.611436  1
  C  C154  1  0.701120  0.537381  0.649212  1
  C  C155  1  0.051529  0.126153  0.642315  1
  C  C156  1  0.108745  0.463225  0.603621  1
  C  C157  1  0.233491  0.737093  0.627042  1
  C  C158  1  0.289316  0.074186  0.588593  1
  C  C159  1  0.640777  0.662485  0.580945  1
  C  C160  1  0.583854  0.324471  0.619166  1
  C  C161  1  0.641179  0.202019  0.688465  1
  C  C162  1  0.585743  0.860805  0.725454  1
  C  C163  1  0.932521  0.455223  0.717444  1
  C  C164  1  0.995372  0.787079  0.680612  1
  C  C165  1  0.115725  0.060725  0.703388  1
  C  C166  1  0.175707  0.399241  0.665227  1
  C  C167  1  0.526498  0.987603  0.658021  1
  C  C168  1  0.472488  0.648588  0.696374  1
