# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.30360589
_cell_length_b   8.87709834
_cell_length_c   46.74577505
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.84836431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe160 C64'
_cell_volume   4069.87185827
_cell_formula_units_Z   32
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  0.087191  0.051908  0.315466  1
  Fe  Fe2  1  0.532314  0.254070  0.287186  1
  Fe  Fe3  1  0.680401  0.378605  0.325026  1
  Fe  Fe4  1  0.123730  0.571233  0.295210  1
  Fe  Fe5  1  0.717864  0.957497  0.296898  1
  Fe  Fe6  1  0.275062  0.753083  0.325738  1
  Fe  Fe7  1  0.027494  0.739664  0.327427  1
  Fe  Fe8  1  0.473158  0.936545  0.299596  1
  Fe  Fe9  1  0.739305  0.688298  0.314068  1
  Fe  Fe10  1  0.198000  0.871452  0.286710  1
  Fe  Fe11  1  0.773444  0.281911  0.282984  1
  Fe  Fe12  1  0.326595  0.093917  0.311607  1
  Fe  Fe13  1  0.988500  0.274632  0.312192  1
  Fe  Fe14  1  0.434831  0.475520  0.284153  1
  Fe  Fe15  1  0.886181  0.535446  0.302118  1
  Fe  Fe16  1  0.441510  0.335662  0.330216  1
  Fe  Fe17  1  0.931034  0.872040  0.287954  1
  Fe  Fe18  1  0.491506  0.677291  0.316030  1
  Fe  Fe19  1  0.774966  0.152360  0.329789  1
  Fe  Fe20  1  0.222224  0.350073  0.301974  1
  Fe  Fe21  1  0.199118  0.656016  0.372115  1
  Fe  Fe22  1  0.643114  0.854262  0.344402  1
  Fe  Fe23  1  0.793398  0.980078  0.380395  1
  Fe  Fe24  1  0.236498  0.178333  0.352522  1
  Fe  Fe25  1  0.831055  0.554475  0.353148  1
  Fe  Fe26  1  0.386911  0.356372  0.380896  1
  Fe  Fe27  1  0.140344  0.342565  0.382721  1
  Fe  Fe28  1  0.583013  0.541094  0.355040  1
  Fe  Fe29  1  0.851567  0.294002  0.369525  1
  Fe  Fe30  1  0.294245  0.491218  0.342104  1
  Fe  Fe31  1  0.883495  0.894002  0.339848  1
  Fe  Fe32  1  0.437991  0.695643  0.366858  1
  Fe  Fe33  1  0.103761  0.880626  0.367552  1
  Fe  Fe34  1  0.546685  0.080060  0.340245  1
  Fe  Fe35  1  0.998184  0.138362  0.358181  1
  Fe  Fe36  1  0.554316  0.940350  0.385957  1
  Fe  Fe37  1  0.048463  0.477602  0.343695  1
  Fe  Fe38  1  0.605046  0.279893  0.371634  1
  Fe  Fe39  1  0.888179  0.755707  0.384965  1
  Fe  Fe40  1  0.331073  0.954410  0.357071  1
  Fe  Fe41  1  0.311732  0.258726  0.427732  1
  Fe  Fe42  1  0.755091  0.457045  0.399978  1
  Fe  Fe43  1  0.906137  0.583053  0.435869  1
  Fe  Fe44  1  0.349718  0.781707  0.408146  1
  Fe  Fe45  1  0.943470  0.157538  0.408756  1
  Fe  Fe46  1  0.499932  0.959295  0.436470  1
  Fe  Fe47  1  0.253347  0.945908  0.438277  1
  Fe  Fe48  1  0.696650  0.144254  0.410585  1
  Fe  Fe49  1  0.964717  0.895578  0.425453  1
  Fe  Fe50  1  0.408120  0.094059  0.397706  1
  Fe  Fe51  1  0.994709  0.497206  0.394612  1
  Fe  Fe52  1  0.550775  0.298861  0.422299  1
  Fe  Fe53  1  0.216447  0.483533  0.423165  1
  Fe  Fe54  1  0.659980  0.681793  0.395421  1
  Fe  Fe55  1  0.110659  0.741429  0.413612  1
  Fe  Fe56  1  0.666905  0.542861  0.441315  1
  Fe  Fe57  1  0.161713  0.081194  0.399499  1
  Fe  Fe58  1  0.717779  0.882475  0.427223  1
  Fe  Fe59  1  0.001155  0.358361  0.440423  1
  Fe  Fe60  1  0.444702  0.556722  0.412717  1
  Fe  Fe61  1  0.424520  0.861700  0.483237  1
  Fe  Fe62  1  0.868140  0.060226  0.455454  1
  Fe  Fe63  1  0.019041  0.186277  0.491415  1
  Fe  Fe64  1  0.462627  0.384799  0.463668  1
  Fe  Fe65  1  0.056364  0.760808  0.464200  1
  Fe  Fe66  1  0.612913  0.562320  0.491938  1
  Fe  Fe67  1  0.366173  0.548896  0.493783  1
  Fe  Fe68  1  0.809886  0.747435  0.466045  1
  Fe  Fe69  1  0.077437  0.498955  0.480850  1
  Fe  Fe70  1  0.520983  0.697431  0.453104  1
  Fe  Fe71  1  0.107211  0.100615  0.450032  1
  Fe  Fe72  1  0.663846  0.901920  0.477820  1
  Fe  Fe73  1  0.329410  0.086586  0.478666  1
  Fe  Fe74  1  0.772968  0.285035  0.450884  1
  Fe  Fe75  1  0.223373  0.344366  0.469046  1
  Fe  Fe76  1  0.779936  0.146014  0.496835  1
  Fe  Fe77  1  0.274308  0.684158  0.454932  1
  Fe  Fe78  1  0.830765  0.485639  0.482681  1
  Fe  Fe79  1  0.114292  0.961399  0.495971  1
  Fe  Fe80  1  0.557837  0.159841  0.468249  1
  Fe  Fe81  1  0.537487  0.464744  0.538693  1
  Fe  Fe82  1  0.981073  0.663266  0.510946  1
  Fe  Fe83  1  0.131974  0.789316  0.546907  1
  Fe  Fe84  1  0.575594  0.987843  0.519124  1
  Fe  Fe85  1  0.169349  0.363903  0.519679  1
  Fe  Fe86  1  0.725806  0.165384  0.547428  1
  Fe  Fe87  1  0.479131  0.152112  0.549256  1
  Fe  Fe88  1  0.922677  0.350587  0.521511  1
  Fe  Fe89  1  0.190228  0.102107  0.536315  1
  Fe  Fe90  1  0.633941  0.300646  0.508578  1
  Fe  Fe91  1  0.220178  0.703529  0.505526  1
  Fe  Fe92  1  0.776741  0.505177  0.533315  1
  Fe  Fe93  1  0.442277  0.689701  0.534112  1
  Fe  Fe94  1  0.885822  0.888144  0.506389  1
  Fe  Fe95  1  0.336268  0.947622  0.524540  1
  Fe  Fe96  1  0.892903  0.748927  0.552329  1
  Fe  Fe97  1  0.387201  0.287222  0.510422  1
  Fe  Fe98  1  0.943750  0.088734  0.538161  1
  Fe  Fe99  1  0.227146  0.564507  0.551477  1
  Fe  Fe100  1  0.670704  0.762957  0.523695  1
  Fe  Fe101  1  0.650396  0.067835  0.594215  1
  Fe  Fe102  1  0.093977  0.266490  0.566492  1
  Fe  Fe103  1  0.245023  0.392497  0.602383  1
  Fe  Fe104  1  0.688382  0.590816  0.574629  1
  Fe  Fe105  1  0.282335  0.967068  0.575138  1
  Fe  Fe106  1  0.838401  0.768348  0.602861  1
  Fe  Fe107  1  0.591994  0.755483  0.604655  1
  Fe  Fe108  1  0.035397  0.953964  0.576908  1
  Fe  Fe109  1  0.303464  0.705289  0.591776  1
  Fe  Fe110  1  0.746767  0.903634  0.564083  1
  Fe  Fe111  1  0.333209  0.306681  0.561046  1
  Fe  Fe112  1  0.889455  0.108113  0.588749  1
  Fe  Fe113  1  0.555412  0.292820  0.589644  1
  Fe  Fe114  1  0.998959  0.491182  0.561938  1
  Fe  Fe115  1  0.449339  0.550682  0.580061  1
  Fe  Fe116  1  0.005405  0.352337  0.607749  1
  Fe  Fe117  1  0.500182  0.890248  0.565891  1
  Fe  Fe118  1  0.056644  0.692004  0.593605  1
  Fe  Fe119  1  0.340134  0.167750  0.606939  1
  Fe  Fe120  1  0.783667  0.366010  0.579195  1
  Fe  Fe121  1  0.763616  0.671209  0.649839  1
  Fe  Fe122  1  0.206716  0.869465  0.621966  1
  Fe  Fe123  1  0.356999  0.995281  0.657959  1
  Fe  Fe124  1  0.800996  0.193526  0.630246  1
  Fe  Fe125  1  0.395068  0.569649  0.630726  1
  Fe  Fe126  1  0.951651  0.371941  0.658666  1
  Fe  Fe127  1  0.705869  0.358324  0.660257  1
  Fe  Fe128  1  0.148547  0.555540  0.632835  1
  Fe  Fe129  1  0.417101  0.308448  0.647321  1
  Fe  Fe130  1  0.859770  0.506977  0.619640  1
  Fe  Fe131  1  0.445798  0.909192  0.616403  1
  Fe  Fe132  1  0.001930  0.711181  0.644179  1
  Fe  Fe133  1  0.669040  0.895133  0.645290  1
  Fe  Fe134  1  0.111935  0.093836  0.617396  1
  Fe  Fe135  1  0.562123  0.153900  0.635503  1
  Fe  Fe136  1  0.116619  0.955540  0.662513  1
  Fe  Fe137  1  0.613203  0.493171  0.621465  1
  Fe  Fe138  1  0.169059  0.295067  0.649213  1
  Fe  Fe139  1  0.453429  0.769482  0.662116  1
  Fe  Fe140  1  0.896353  0.968916  0.634809  1
  Fe  Fe141  1  0.876384  0.278309  0.707151  1
  Fe  Fe142  1  0.319713  0.470937  0.677335  1
  Fe  Fe143  1  0.467799  0.595472  0.715175  1
  Fe  Fe144  1  0.912923  0.797634  0.686895  1
  Fe  Fe145  1  0.508608  0.172252  0.686331  1
  Fe  Fe146  1  0.069080  0.977503  0.714407  1
  Fe  Fe147  1  0.802114  0.978090  0.715650  1
  Fe  Fe148  1  0.260808  0.161244  0.688293  1
  Fe  Fe149  1  0.526956  0.912997  0.702765  1
  Fe  Fe150  1  0.972620  0.109879  0.674934  1
  Fe  Fe151  1  0.558604  0.513880  0.672145  1
  Fe  Fe152  1  0.113933  0.314096  0.700243  1
  Fe  Fe153  1  0.777890  0.499469  0.700387  1
  Fe  Fe154  1  0.225148  0.697182  0.672572  1
  Fe  Fe155  1  0.673519  0.755626  0.690754  1
  Fe  Fe156  1  0.226670  0.567631  0.719377  1
  Fe  Fe157  1  0.725051  0.096459  0.676623  1
  Fe  Fe158  1  0.282250  0.892045  0.705463  1
  Fe  Fe159  1  0.565283  0.374022  0.718207  1
  Fe  Fe160  1  0.011614  0.574911  0.690169  1
  C  C161  1  0.901488  0.049882  0.310379  1
  C  C162  1  0.346307  0.251061  0.282289  1
  C  C163  1  0.022235  0.713327  0.285631  1
  C  C164  1  0.575189  0.511991  0.312744  1
  C  C165  1  0.631826  0.119706  0.301879  1
  C  C166  1  0.190409  0.917793  0.328507  1
  C  C167  1  0.864339  0.376866  0.331272  1
  C  C168  1  0.307042  0.575357  0.303959  1
  C  C169  1  0.014962  0.656126  0.365604  1
  C  C170  1  0.459191  0.855471  0.337984  1
  C  C171  1  0.132046  0.312359  0.340118  1
  C  C172  1  0.689229  0.115075  0.368343  1
  C  C173  1  0.746264  0.718619  0.356676  1
  C  C174  1  0.302814  0.521105  0.384454  1
  C  C175  1  0.977291  0.980007  0.387338  1
  C  C176  1  0.420389  0.178588  0.359603  1
  C  C177  1  0.127840  0.259117  0.420920  1
  C  C178  1  0.571162  0.457406  0.393206  1
  C  C179  1  0.245292  0.916017  0.395894  1
  C  C180  1  0.801794  0.717626  0.423705  1
  C  C181  1  0.859440  0.322433  0.412114  1
  C  C182  1  0.416005  0.124230  0.439976  1
  C  C183  1  0.090046  0.582721  0.442681  1
  C  C184  1  0.533575  0.781100  0.414928  1
  C  C185  1  0.240633  0.862192  0.476453  1
  C  C186  1  0.684157  0.060616  0.448761  1
  C  C187  1  0.358235  0.519215  0.451452  1
  C  C188  1  0.914708  0.320720  0.479180  1
  C  C189  1  0.972516  0.925822  0.467686  1
  C  C190  1  0.528882  0.727173  0.495415  1
  C  C191  1  0.202980  0.185825  0.498140  1
  C  C192  1  0.646544  0.384267  0.470397  1
  C  C193  1  0.353570  0.465275  0.531964  1
  C  C194  1  0.797134  0.663718  0.504221  1
  C  C195  1  0.471232  0.122369  0.506946  1
  C  C196  1  0.027598  0.923720  0.534675  1
  C  C197  1  0.085406  0.528822  0.523181  1
  C  C198  1  0.641879  0.330327  0.550909  1
  C  C199  1  0.315957  0.788926  0.553600  1
  C  C200  1  0.759481  0.987350  0.525908  1
  C  C201  1  0.466539  0.068442  0.587433  1
  C  C202  1  0.910068  0.266821  0.559680  1
  C  C203  1  0.584109  0.725312  0.562385  1
  C  C204  1  0.140674  0.527109  0.590247  1
  C  C205  1  0.198320  0.131917  0.578656  1
  C  C206  1  0.754821  0.933525  0.606467  1
  C  C207  1  0.428952  0.392136  0.609155  1
  C  C208  1  0.872274  0.590426  0.581441  1
  C  C209  1  0.579725  0.670955  0.642758  1
  C  C210  1  0.022823  0.869535  0.615023  1
  C  C211  1  0.697300  0.328437  0.617907  1
  C  C212  1  0.253850  0.130924  0.645685  1
  C  C213  1  0.310885  0.734467  0.634018  1
  C  C214  1  0.868068  0.537183  0.662243  1
  C  C215  1  0.540923  0.994071  0.664377  1
  C  C216  1  0.985152  0.193416  0.636757  1
  C  C217  1  0.693072  0.274186  0.698402  1
  C  C218  1  0.135775  0.472676  0.671088  1
  C  C219  1  0.809705  0.931750  0.673854  1
  C  C220  1  0.368288  0.729836  0.700482  1
  C  C221  1  0.424925  0.337551  0.689617  1
  C  C222  1  0.977879  0.136216  0.716730  1
  C  C223  1  0.653807  0.598481  0.720071  1
  C  C224  1  0.098626  0.799660  0.691982  1
