# generated using pymatgen
data_Fe4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39434460
_cell_length_b   12.05797293
_cell_length_c   47.27049780
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4C
_chemical_formula_sum   'Fe96 C24'
_cell_volume   2996.8497451
_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  0.428773  0.790410  0.303851  1
  Fe  Fe2  1  0.586011  0.104912  0.322041  1
  Fe  Fe3  1  0.269218  0.471350  0.285667  1
  Fe  Fe4  1  0.758859  0.982626  0.289885  1
  Fe  Fe5  1  0.919672  0.300688  0.307859  1
  Fe  Fe6  1  0.069609  0.616230  0.325601  1
  Fe  Fe7  1  0.290864  0.982620  0.289883  1
  Fe  Fe8  1  0.448092  0.300678  0.307856  1
  Fe  Fe9  1  0.613695  0.616218  0.325598  1
  Fe  Fe10  1  0.928875  0.790643  0.308972  1
  Fe  Fe11  1  0.084238  0.101377  0.326285  1
  Fe  Fe12  1  0.772406  0.477710  0.289917  1
  Fe  Fe13  1  0.901302  0.735491  0.359408  1
  Fe  Fe14  1  0.059498  0.051888  0.377709  1
  Fe  Fe15  1  0.743789  0.420470  0.340623  1
  Fe  Fe16  1  0.226923  0.930678  0.343373  1
  Fe  Fe17  1  0.385369  0.246257  0.361927  1
  Fe  Fe18  1  0.545093  0.562623  0.380965  1
  Fe  Fe19  1  0.770830  0.930669  0.343371  1
  Fe  Fe20  1  0.927955  0.246247  0.361926  1
  Fe  Fe21  1  0.084597  0.562613  0.380964  1
  Fe  Fe22  1  0.399210  0.731319  0.364298  1
  Fe  Fe23  1  0.557180  0.047261  0.382509  1
  Fe  Fe24  1  0.241476  0.415856  0.344999  1
  Fe  Fe25  1  0.375338  0.683566  0.414926  1
  Fe  Fe26  1  0.533352  0.999595  0.433427  1
  Fe  Fe27  1  0.217401  0.367695  0.396279  1
  Fe  Fe28  1  0.702258  0.878898  0.399605  1
  Fe  Fe29  1  0.859511  0.194366  0.417880  1
  Fe  Fe30  1  0.017763  0.510130  0.436424  1
  Fe  Fe31  1  0.243710  0.878889  0.399604  1
  Fe  Fe32  1  0.401923  0.194356  0.417879  1
  Fe  Fe33  1  0.559435  0.510121  0.436423  1
  Fe  Fe34  1  0.873080  0.679061  0.419389  1
  Fe  Fe35  1  0.031283  0.995467  0.437962  1
  Fe  Fe36  1  0.714810  0.362521  0.400922  1
  Fe  Fe37  1  0.849074  0.631039  0.470463  1
  Fe  Fe38  1  0.006998  0.946887  0.488977  1
  Fe  Fe39  1  0.691202  0.315295  0.451945  1
  Fe  Fe40  1  0.175743  0.826136  0.454990  1
  Fe  Fe41  1  0.333368  0.141954  0.473444  1
  Fe  Fe42  1  0.491421  0.457724  0.492006  1
  Fe  Fe43  1  0.717461  0.826126  0.454988  1
  Fe  Fe44  1  0.875654  0.141944  0.473443  1
  Fe  Fe45  1  0.033372  0.457715  0.492004  1
  Fe  Fe46  1  0.346742  0.626386  0.475068  1
  Fe  Fe47  1  0.504761  0.942424  0.493600  1
  Fe  Fe48  1  0.188917  0.310736  0.456515  1
  Fe  Fe49  1  0.322799  0.578490  0.526044  1
  Fe  Fe50  1  0.480652  0.894195  0.544548  1
  Fe  Fe51  1  0.164898  0.262688  0.507492  1
  Fe  Fe52  1  0.649445  0.773525  0.510596  1
  Fe  Fe53  1  0.807183  0.089318  0.529139  1
  Fe  Fe54  1  0.964803  0.404927  0.547703  1
  Fe  Fe55  1  0.191148  0.773515  0.510595  1
  Fe  Fe56  1  0.349203  0.089309  0.529138  1
  Fe  Fe57  1  0.507192  0.404918  0.547702  1
  Fe  Fe58  1  0.820560  0.574022  0.530661  1
  Fe  Fe59  1  0.978492  0.889884  0.549146  1
  Fe  Fe60  1  0.662661  0.258223  0.512146  1
  Fe  Fe61  1  0.796499  0.525889  0.581775  1
  Fe  Fe62  1  0.954167  0.841226  0.600134  1
  Fe  Fe63  1  0.638630  0.210151  0.563255  1
  Fe  Fe64  1  0.122494  0.720545  0.566212  1
  Fe  Fe65  1  0.281145  0.036557  0.584639  1
  Fe  Fe66  1  0.439036  0.352663  0.603120  1
  Fe  Fe67  1  0.665118  0.720535  0.566211  1
  Fe  Fe68  1  0.822480  0.036548  0.584638  1
  Fe  Fe69  1  0.980694  0.352654  0.603119  1
  Fe  Fe70  1  0.294260  0.521426  0.586267  1
  Fe  Fe71  1  0.452021  0.836946  0.604801  1
  Fe  Fe72  1  0.136448  0.205797  0.567702  1
  Fe  Fe73  1  0.269739  0.472373  0.637058  1
  Fe  Fe74  1  0.427926  0.788746  0.656020  1
  Fe  Fe75  1  0.111806  0.156505  0.618329  1
  Fe  Fe76  1  0.596570  0.668025  0.621782  1
  Fe  Fe77  1  0.754177  0.983597  0.640319  1
  Fe  Fe78  1  0.911230  0.298063  0.659262  1
  Fe  Fe79  1  0.138518  0.668015  0.621780  1
  Fe  Fe80  1  0.296484  0.983588  0.640318  1
  Fe  Fe81  1  0.453895  0.298052  0.659261  1
  Fe  Fe82  1  0.767778  0.468464  0.642021  1
  Fe  Fe83  1  0.926066  0.785037  0.660506  1
  Fe  Fe84  1  0.609653  0.152213  0.623291  1
  Fe  Fe85  1  0.744501  0.421898  0.694467  1
  Fe  Fe86  1  0.905164  0.743216  0.712266  1
  Fe  Fe87  1  0.586977  0.106851  0.674834  1
  Fe  Fe88  1  0.073415  0.616274  0.677260  1
  Fe  Fe89  1  0.226817  0.931650  0.695514  1
  Fe  Fe90  1  0.395770  0.250723  0.712678  1
  Fe  Fe91  1  0.609925  0.616259  0.677260  1
  Fe  Fe92  1  0.771903  0.931635  0.695514  1
  Fe  Fe93  1  0.922013  0.250724  0.712677  1
  Fe  Fe94  1  0.240752  0.414439  0.697091  1
  Fe  Fe95  1  0.398115  0.729125  0.715037  1
  Fe  Fe96  1  0.084252  0.101405  0.678959  1
  C  C97  1  0.982539  0.897969  0.282346  1
  C  C98  1  0.140491  0.213895  0.301024  1
  C  C99  1  0.299420  0.531753  0.320454  1
  C  C100  1  0.456154  0.845215  0.339246  1
  C  C101  1  0.613874  0.160664  0.357281  1
  C  C102  1  0.771766  0.476451  0.375827  1
  C  C103  1  0.930283  0.793480  0.394400  1
  C  C104  1  0.088136  0.109186  0.412791  1
  C  C105  1  0.245842  0.424599  0.431397  1
  C  C106  1  0.403810  0.740535  0.450026  1
  C  C107  1  0.561796  0.056508  0.468535  1
  C  C108  1  0.719650  0.372214  0.487054  1
  C  C109  1  0.877547  0.688009  0.505567  1
  C  C110  1  0.035512  0.003939  0.524071  1
  C  C111  1  0.193394  0.319703  0.542589  1
  C  C112  1  0.351215  0.635345  0.561160  1
  C  C113  1  0.508967  0.950850  0.579682  1
  C  C114  1  0.666984  0.266885  0.598394  1
  C  C115  1  0.824789  0.582498  0.616909  1
  C  C116  1  0.982721  0.898360  0.635207  1
  C  C117  1  0.140382  0.213687  0.653361  1
  C  C118  1  0.297995  0.528913  0.672168  1
  C  C119  1  0.456975  0.846866  0.690993  1
  C  C120  1  0.613340  0.159593  0.710178  1
