# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76353717
_cell_length_b   10.23302872
_cell_length_c   47.94964206
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.27375233
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe120 C40'
_cell_volume   3525.09583639
_cell_formula_units_Z   40
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  0.246156  0.402531  0.282558  1
  Fe  Fe2  1  0.487547  0.879073  0.304519  1
  Fe  Fe3  1  0.629389  0.159070  0.282491  1
  Fe  Fe4  1  0.865574  0.629078  0.304709  1
  Fe  Fe5  1  0.961283  0.165000  0.285777  1
  Fe  Fe6  1  0.198402  0.624307  0.307985  1
  Fe  Fe7  1  0.586945  0.416028  0.282147  1
  Fe  Fe8  1  0.831486  0.883245  0.302996  1
  Fe  Fe9  1  0.907697  0.397195  0.280718  1
  Fe  Fe10  1  0.145863  0.874230  0.302486  1
  Fe  Fe11  1  0.280891  0.147033  0.284799  1
  Fe  Fe12  1  0.516782  0.617932  0.307002  1
  Fe  Fe13  1  0.719968  0.347233  0.327684  1
  Fe  Fe14  1  0.956443  0.818695  0.349715  1
  Fe  Fe15  1  0.095031  0.096763  0.328148  1
  Fe  Fe16  1  0.332170  0.569720  0.350508  1
  Fe  Fe17  1  0.437734  0.093555  0.330621  1
  Fe  Fe18  1  0.672816  0.567955  0.353292  1
  Fe  Fe19  1  0.064432  0.353274  0.326418  1
  Fe  Fe20  1  0.301658  0.821975  0.347352  1
  Fe  Fe21  1  0.376561  0.347660  0.325714  1
  Fe  Fe22  1  0.617031  0.823108  0.347343  1
  Fe  Fe23  1  0.751719  0.094346  0.330532  1
  Fe  Fe24  1  0.986680  0.567045  0.353432  1
  Fe  Fe25  1  0.193550  0.292072  0.373043  1
  Fe  Fe26  1  0.428824  0.763016  0.395892  1
  Fe  Fe27  1  0.566741  0.039768  0.373544  1
  Fe  Fe28  1  0.804575  0.513625  0.396189  1
  Fe  Fe29  1  0.909815  0.035761  0.376186  1
  Fe  Fe30  1  0.144513  0.510969  0.398739  1
  Fe  Fe31  1  0.536621  0.295017  0.370671  1
  Fe  Fe32  1  0.773637  0.765270  0.392819  1
  Fe  Fe33  1  0.851260  0.294786  0.370577  1
  Fe  Fe34  1  0.088296  0.767212  0.393108  1
  Fe  Fe35  1  0.224369  0.036903  0.375859  1
  Fe  Fe36  1  0.459044  0.510737  0.398991  1
  Fe  Fe37  1  0.665125  0.235412  0.418493  1
  Fe  Fe38  1  0.901261  0.707650  0.441380  1
  Fe  Fe39  1  0.039426  0.984801  0.418815  1
  Fe  Fe40  1  0.276063  0.457003  0.441639  1
  Fe  Fe41  1  0.381328  0.981218  0.421383  1
  Fe  Fe42  1  0.616867  0.454235  0.444188  1
  Fe  Fe43  1  0.009530  0.238893  0.416133  1
  Fe  Fe44  1  0.245000  0.710253  0.438629  1
  Fe  Fe45  1  0.323879  0.238499  0.416007  1
  Fe  Fe46  1  0.559979  0.710960  0.438671  1
  Fe  Fe47  1  0.696560  0.980836  0.421130  1
  Fe  Fe48  1  0.931423  0.453787  0.444229  1
  Fe  Fe49  1  0.136917  0.179256  0.463877  1
  Fe  Fe50  1  0.372983  0.651431  0.486735  1
  Fe  Fe51  1  0.511624  0.929031  0.464215  1
  Fe  Fe52  1  0.747904  0.400934  0.487100  1
  Fe  Fe53  1  0.853138  0.925550  0.466938  1
  Fe  Fe54  1  0.089089  0.397812  0.489665  1
  Fe  Fe55  1  0.481609  0.182375  0.461387  1
  Fe  Fe56  1  0.717010  0.654569  0.484160  1
  Fe  Fe57  1  0.795971  0.182545  0.461424  1
  Fe  Fe58  1  0.032027  0.654700  0.484143  1
  Fe  Fe59  1  0.167496  0.925318  0.466846  1
  Fe  Fe60  1  0.403537  0.397624  0.489655  1
  Fe  Fe61  1  0.608957  0.123218  0.509365  1
  Fe  Fe62  1  0.844765  0.595174  0.532238  1
  Fe  Fe63  1  0.983655  0.872840  0.509761  1
  Fe  Fe64  1  0.219794  0.344887  0.532588  1
  Fe  Fe65  1  0.324522  0.869687  0.512359  1
  Fe  Fe66  1  0.560888  0.341567  0.535061  1
  Fe  Fe67  1  0.953349  0.126200  0.506822  1
  Fe  Fe68  1  0.189478  0.598475  0.529567  1
  Fe  Fe69  1  0.267774  0.126402  0.506844  1
  Fe  Fe70  1  0.504027  0.598692  0.529623  1
  Fe  Fe71  1  0.639364  0.869522  0.512369  1
  Fe  Fe72  1  0.875471  0.341482  0.535089  1
  Fe  Fe73  1  0.080942  0.067123  0.554879  1
  Fe  Fe74  1  0.316610  0.539336  0.577669  1
  Fe  Fe75  1  0.455641  0.816676  0.555167  1
  Fe  Fe76  1  0.691772  0.288561  0.577927  1
  Fe  Fe77  1  0.796596  0.813740  0.557851  1
  Fe  Fe78  1  0.032493  0.285274  0.580411  1
  Fe  Fe79  1  0.424984  0.069950  0.552290  1
  Fe  Fe80  1  0.662430  0.543023  0.575067  1
  Fe  Fe81  1  0.739681  0.070419  0.552307  1
  Fe  Fe82  1  0.977794  0.543342  0.575339  1
  Fe  Fe83  1  0.111169  0.813247  0.557844  1
  Fe  Fe84  1  0.347586  0.285676  0.580480  1
  Fe  Fe85  1  0.552778  0.010811  0.600345  1
  Fe  Fe86  1  0.789064  0.483983  0.622956  1
  Fe  Fe87  1  0.927744  0.760940  0.600582  1
  Fe  Fe88  1  0.163899  0.232903  0.623343  1
  Fe  Fe89  1  0.269952  0.758636  0.603591  1
  Fe  Fe90  1  0.504092  0.229394  0.625818  1
  Fe  Fe91  1  0.896160  0.013360  0.597773  1
  Fe  Fe92  1  0.134793  0.487423  0.620366  1
  Fe  Fe93  1  0.211162  0.013952  0.597681  1
  Fe  Fe94  1  0.448557  0.486539  0.620536  1
  Fe  Fe95  1  0.583193  0.757102  0.603336  1
  Fe  Fe96  1  0.818283  0.228735  0.626019  1
  Fe  Fe97  1  0.024498  0.955165  0.645873  1
  Fe  Fe98  1  0.259773  0.427957  0.668399  1
  Fe  Fe99  1  0.400060  0.705402  0.646589  1
  Fe  Fe100  1  0.634518  0.176663  0.668938  1
  Fe  Fe101  1  0.741183  0.702091  0.649098  1
  Fe  Fe102  1  0.970347  0.169498  0.670049  1
  Fe  Fe103  1  0.366220  0.956437  0.643173  1
  Fe  Fe104  1  0.605767  0.430115  0.665756  1
  Fe  Fe105  1  0.681570  0.956948  0.643069  1
  Fe  Fe106  1  0.918878  0.429471  0.666006  1
  Fe  Fe107  1  0.056092  0.701339  0.649104  1
  Fe  Fe108  1  0.287587  0.172453  0.671362  1
  Fe  Fe109  1  0.493906  0.898452  0.692423  1
  Fe  Fe110  1  0.730801  0.366622  0.713754  1
  Fe  Fe111  1  0.869888  0.646818  0.692106  1
  Fe  Fe112  1  0.104018  0.123065  0.714198  1
  Fe  Fe113  1  0.209990  0.640803  0.693409  1
  Fe  Fe114  1  0.442695  0.113606  0.715752  1
  Fe  Fe115  1  0.837925  0.900683  0.688539  1
  Fe  Fe116  1  0.058093  0.360832  0.710807  1
  Fe  Fe117  1  0.155771  0.903819  0.688800  1
  Fe  Fe118  1  0.395522  0.377502  0.711664  1
  Fe  Fe119  1  0.531129  0.648373  0.693973  1
  Fe  Fe120  1  0.775117  0.129215  0.715530  1
  C  C121  1  0.504151  0.250180  0.305232  1
  C  C122  1  0.274491  0.778003  0.281827  1
  C  C123  1  0.955532  0.487167  0.316631  1
  C  C124  1  0.723732  0.018142  0.293433  1
  C  C125  1  0.976721  0.192961  0.350940  1
  C  C126  1  0.740928  0.721718  0.327194  1
  C  C127  1  0.429761  0.431680  0.362133  1
  C  C128  1  0.193342  0.957937  0.338978  1
  C  C129  1  0.449624  0.138012  0.396010  1
  C  C130  1  0.214330  0.666870  0.373132  1
  C  C131  1  0.901237  0.374437  0.407388  1
  C  C132  1  0.664700  0.900732  0.384338  1
  C  C133  1  0.921287  0.081753  0.441424  1
  C  C134  1  0.686402  0.610774  0.418739  1
  C  C135  1  0.373295  0.318117  0.452827  1
  C  C136  1  0.137031  0.846119  0.429989  1
  C  C137  1  0.393570  0.025950  0.486849  1
  C  C138  1  0.157825  0.554154  0.464177  1
  C  C139  1  0.845206  0.262040  0.498254  1
  C  C140  1  0.608880  0.790328  0.475511  1
  C  C141  1  0.865634  0.969994  0.532339  1
  C  C142  1  0.629746  0.498160  0.509634  1
  C  C143  1  0.317022  0.205853  0.543677  1
  C  C144  1  0.080717  0.733935  0.520997  1
  C  C145  1  0.337581  0.913638  0.577787  1
  C  C146  1  0.101568  0.442246  0.555075  1
  C  C147  1  0.788823  0.149640  0.589159  1
  C  C148  1  0.552799  0.677936  0.566476  1
  C  C149  1  0.809481  0.857263  0.623327  1
  C  C150  1  0.573962  0.386170  0.600425  1
  C  C151  1  0.260422  0.093561  0.634500  1
  C  C152  1  0.025833  0.623147  0.612156  1
  C  C153  1  0.281745  0.802276  0.669189  1
  C  C154  1  0.045347  0.330526  0.645696  1
  C  C155  1  0.728051  0.035473  0.679991  1
  C  C156  1  0.497059  0.565816  0.657388  1
  C  C157  1  0.755226  0.746741  0.714620  1
  C  C158  1  0.514356  0.273623  0.691155  1
  C  C159  1  0.198324  0.982890  0.725699  1
  C  C160  1  0.966673  0.507197  0.702991  1
