# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79430912
_cell_length_b   11.44264194
_cell_length_c   46.34737805
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.10817933
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe100 C40'
_cell_volume   2486.03250365
_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  0.441705  0.497673  0.355057  1
  Fe  Fe2  1  0.607263  0.863554  0.308787  1
  Fe  Fe3  1  0.857319  0.025602  0.337558  1
  Fe  Fe4  1  0.032196  0.381871  0.290144  1
  Fe  Fe5  1  0.977874  0.195330  0.363467  1
  Fe  Fe6  1  0.159825  0.556995  0.318569  1
  Fe  Fe7  1  0.853839  0.375945  0.341093  1
  Fe  Fe8  1  0.032633  0.739349  0.295345  1
  Fe  Fe9  1  0.450509  0.145952  0.351644  1
  Fe  Fe10  1  0.653454  0.510386  0.304254  1
  Fe  Fe11  1  0.888545  0.043007  0.285012  1
  Fe  Fe12  1  0.683542  0.678417  0.332895  1
  Fe  Fe13  1  0.344306  0.221291  0.288765  1
  Fe  Fe14  1  0.168273  0.850638  0.335507  1
  Fe  Fe15  1  0.799753  0.204040  0.313707  1
  Fe  Fe16  1  0.621321  0.843866  0.359148  1
  Fe  Fe17  1  0.323651  0.325702  0.329640  1
  Fe  Fe18  1  0.501725  0.688972  0.283025  1
  Fe  Fe19  1  0.313923  0.030817  0.311830  1
  Fe  Fe20  1  0.129289  0.670079  0.357677  1
  Fe  Fe21  1  0.082344  0.774079  0.446280  1
  Fe  Fe22  1  0.264949  0.135717  0.400991  1
  Fe  Fe23  1  0.496460  0.300362  0.427834  1
  Fe  Fe24  1  0.678497  0.662003  0.382561  1
  Fe  Fe25  1  0.615815  0.471026  0.454530  1
  Fe  Fe26  1  0.796076  0.833216  0.409103  1
  Fe  Fe27  1  0.488399  0.652271  0.431756  1
  Fe  Fe28  1  0.668333  0.013424  0.386409  1
  Fe  Fe29  1  0.092694  0.422467  0.442507  1
  Fe  Fe30  1  0.274310  0.784393  0.397102  1
  Fe  Fe31  1  0.506908  0.316987  0.378323  1
  Fe  Fe32  1  0.323619  0.954818  0.423613  1
  Fe  Fe33  1  0.989053  0.489799  0.380407  1
  Fe  Fe34  1  0.809163  0.127812  0.425779  1
  Fe  Fe35  1  0.437696  0.482019  0.405379  1
  Fe  Fe36  1  0.255042  0.119471  0.450761  1
  Fe  Fe37  1  0.965442  0.603257  0.419822  1
  Fe  Fe38  1  0.142816  0.965623  0.374437  1
  Fe  Fe39  1  0.950399  0.308315  0.403224  1
  Fe  Fe40  1  0.770701  0.946842  0.448525  1
  Fe  Fe41  1  0.720740  0.049966  0.537064  1
  Fe  Fe42  1  0.901648  0.412001  0.491676  1
  Fe  Fe43  1  0.135128  0.576511  0.518844  1
  Fe  Fe44  1  0.316036  0.938546  0.473456  1
  Fe  Fe45  1  0.253781  0.747176  0.545295  1
  Fe  Fe46  1  0.434983  0.109137  0.499904  1
  Fe  Fe47  1  0.126844  0.928226  0.522618  1
  Fe  Fe48  1  0.307544  0.290263  0.477194  1
  Fe  Fe49  1  0.729232  0.698249  0.533327  1
  Fe  Fe50  1  0.909932  0.060286  0.487902  1
  Fe  Fe51  1  0.142959  0.592962  0.469021  1
  Fe  Fe52  1  0.962106  0.231031  0.514440  1
  Fe  Fe53  1  0.628512  0.765645  0.471218  1
  Fe  Fe54  1  0.447051  0.403677  0.516622  1
  Fe  Fe55  1  0.074670  0.757480  0.496080  1
  Fe  Fe56  1  0.893817  0.395550  0.541499  1
  Fe  Fe57  1  0.601793  0.879375  0.510617  1
  Fe  Fe58  1  0.782995  0.241336  0.465225  1
  Fe  Fe59  1  0.589725  0.584835  0.493899  1
  Fe  Fe60  1  0.408264  0.222866  0.539302  1
  Fe  Fe61  1  0.358278  0.326509  0.627960  1
  Fe  Fe62  1  0.540316  0.688150  0.582686  1
  Fe  Fe63  1  0.771826  0.852795  0.609529  1
  Fe  Fe64  1  0.954432  0.214433  0.564240  1
  Fe  Fe65  1  0.893960  0.022888  0.636083  1
  Fe  Fe66  1  0.071334  0.385255  0.590698  1
  Fe  Fe67  1  0.762466  0.204119  0.613418  1
  Fe  Fe68  1  0.944081  0.566045  0.568013  1
  Fe  Fe69  1  0.368443  0.975088  0.624111  1
  Fe  Fe70  1  0.548377  0.336241  0.578764  1
  Fe  Fe71  1  0.781734  0.869040  0.559760  1
  Fe  Fe72  1  0.599080  0.506493  0.605141  1
  Fe  Fe73  1  0.266075  0.041670  0.561995  1
  Fe  Fe74  1  0.086377  0.680197  0.607296  1
  Fe  Fe75  1  0.713157  0.033694  0.586908  1
  Fe  Fe76  1  0.529868  0.671524  0.632198  1
  Fe  Fe77  1  0.240700  0.155296  0.601417  1
  Fe  Fe78  1  0.420960  0.517486  0.555990  1
  Fe  Fe79  1  0.227613  0.860700  0.584742  1
  Fe  Fe80  1  0.047722  0.498713  0.630113  1
  Fe  Fe81  1  0.004580  0.606640  0.720376  1
  Fe  Fe82  1  0.179456  0.962909  0.672963  1
  Fe  Fe83  1  0.429513  0.124957  0.701733  1
  Fe  Fe84  1  0.595071  0.490838  0.655463  1
  Fe  Fe85  1  0.535051  0.299540  0.727495  1
  Fe  Fe86  1  0.713125  0.662810  0.680881  1
  Fe  Fe87  1  0.383322  0.478125  0.706266  1
  Fe  Fe88  1  0.586267  0.842560  0.658876  1
  Fe  Fe89  1  0.004142  0.249163  0.715175  1
  Fe  Fe90  1  0.182937  0.612567  0.669427  1
  Fe  Fe91  1  0.415455  0.144645  0.651373  1
  Fe  Fe92  1  0.237023  0.784472  0.696813  1
  Fe  Fe93  1  0.907487  0.318433  0.652843  1
  Fe  Fe94  1  0.722853  0.957695  0.698690  1
  Fe  Fe95  1  0.353234  0.310095  0.677625  1
  Fe  Fe96  1  0.148231  0.945505  0.725508  1
  Fe  Fe97  1  0.876951  0.431517  0.691951  1
  Fe  Fe98  1  0.058902  0.793182  0.647053  1
  Fe  Fe99  1  0.868503  0.137873  0.675013  1
  Fe  Fe100  1  0.692470  0.767221  0.721755  1
  C  C101  1  0.157979  0.361457  0.366968  1
  C  C102  1  0.336927  0.723748  0.321111  1
  C  C103  1  0.647249  0.341912  0.304356  1
  C  C104  1  0.464169  0.979625  0.348933  1
  C  C105  1  0.006772  0.903887  0.299665  1
  C  C106  1  0.834944  0.541821  0.343626  1
  C  C107  1  0.147276  0.159439  0.325545  1
  C  C108  1  0.320183  0.522476  0.282362  1
  C  C109  1  0.795188  0.637470  0.457264  1
  C  C110  1  0.976026  -0.000414  0.411894  1
  C  C111  1  0.285621  0.617875  0.394129  1
  C  C112  1  0.104457  0.255941  0.439705  1
  C  C113  1  0.656858  0.180002  0.389075  1
  C  C114  1  0.475153  0.818613  0.434693  1
  C  C115  1  0.784906  0.436940  0.417104  1
  C  C116  1  0.965808  0.798887  0.371797  1
  C  C117  1  0.433530  0.913541  0.548152  1
  C  C118  1  0.614259  0.275568  0.502721  1
  C  C119  1  0.923486  0.893929  0.485130  1
  C  C120  1  0.742482  0.531882  0.530485  1
  C  C121  1  0.294293  0.456630  0.480035  1
  C  C122  1  0.113290  0.094583  0.525390  1
  C  C123  1  0.422517  0.712944  0.507799  1
  C  C124  1  0.603246  0.074970  0.462368  1
  C  C125  1  0.070968  0.189625  0.638723  1
  C  C126  1  0.251870  0.551571  0.593416  1
  C  C127  1  0.561623  0.169899  0.575827  1
  C  C128  1  0.379918  0.808509  0.621446  1
  C  C129  1  0.932319  0.732570  0.570815  1
  C  C130  1  0.751155  0.370636  0.616392  1
  C  C131  1  0.060750  0.988926  0.598626  1
  C  C132  1  0.241588  0.351041  0.553256  1
  C  C133  1  0.716593  0.466036  0.728158  1
  C  C134  1  0.889499  0.829073  0.684975  1
  C  C135  1  0.201832  0.446691  0.666894  1
  C  C136  1  0.030004  0.084624  0.710855  1
  C  C137  1  0.572607  0.008887  0.661587  1
  C  C138  1  0.389527  0.646599  0.706164  1
  C  C139  1  0.699849  0.264764  0.689409  1
  C  C140  1  0.878796  0.627055  0.643552  1
