# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.84995388
_cell_length_b   4.26613161
_cell_length_c   46.97348735
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   54.76859701
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe72 C36'
_cell_volume   2103.38942179
_cell_formula_units_Z   36
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  0.847711  0.807010  0.284328  1
  Fe  Fe2  1  0.155617  0.620407  0.296137  1
  Fe  Fe3  1  0.540473  0.004747  0.272902  1
  Fe  Fe4  1  0.720731  0.640954  0.300197  1
  Fe  Fe5  1  0.025075  0.463388  0.311928  1
  Fe  Fe6  1  0.390236  0.858878  0.281891  1
  Fe  Fe7  1  0.765360  0.209341  0.329218  1
  Fe  Fe8  1  0.068536  0.030327  0.341343  1
  Fe  Fe9  1  0.461382  0.407301  0.315662  1
  Fe  Fe10  1  0.633881  0.095147  0.337911  1
  Fe  Fe11  1  0.937556  0.911728  0.350080  1
  Fe  Fe12  1  0.325551  0.281167  0.324565  1
  Fe  Fe13  1  0.676584  0.673421  0.366447  1
  Fe  Fe14  1  0.979772  0.492935  0.378743  1
  Fe  Fe15  1  0.372573  0.856555  0.354078  1
  Fe  Fe16  1  0.545854  0.554962  0.374618  1
  Fe  Fe17  1  0.849159  0.374061  0.386970  1
  Fe  Fe18  1  0.241476  0.732679  0.362448  1
  Fe  Fe19  1  0.587575  0.135749  0.403266  1
  Fe  Fe20  1  0.891344  0.955331  0.415685  1
  Fe  Fe21  1  0.283737  0.314362  0.391001  1
  Fe  Fe22  1  0.456855  0.015722  0.411463  1
  Fe  Fe23  1  0.760782  0.835605  0.423919  1
  Fe  Fe24  1  0.152895  0.194264  0.399264  1
  Fe  Fe25  1  0.498791  0.597007  0.440235  1
  Fe  Fe26  1  0.802912  0.417114  0.452704  1
  Fe  Fe27  1  0.195344  0.775578  0.427934  1
  Fe  Fe28  1  0.368394  0.476436  0.448489  1
  Fe  Fe29  1  0.672130  0.297012  0.460961  1
  Fe  Fe30  1  0.064567  0.655708  0.436256  1
  Fe  Fe31  1  0.410456  0.058244  0.477338  1
  Fe  Fe32  1  0.714278  0.878522  0.489699  1
  Fe  Fe33  1  0.106704  0.237337  0.465021  1
  Fe  Fe34  1  0.279834  0.937728  0.485614  1
  Fe  Fe35  1  0.583573  0.758368  0.497951  1
  Fe  Fe36  1  0.976110  0.117136  0.473296  1
  Fe  Fe37  1  0.321984  0.519350  0.514372  1
  Fe  Fe38  1  0.625707  0.339941  0.526690  1
  Fe  Fe39  1  0.018244  0.698710  0.502035  1
  Fe  Fe40  1  0.191361  0.398834  0.522649  1
  Fe  Fe41  1  0.495113  0.219741  0.534965  1
  Fe  Fe42  1  0.887540  0.578556  0.510287  1
  Fe  Fe43  1  0.233424  0.980641  0.551497  1
  Fe  Fe44  1  0.537250  0.801369  0.563730  1
  Fe  Fe45  1  0.929688  0.160066  0.539026  1
  Fe  Fe46  1  0.103026  0.860071  0.559752  1
  Fe  Fe47  1  0.406474  0.681500  0.572052  1
  Fe  Fe48  1  0.798905  0.039964  0.547282  1
  Fe  Fe49  1  0.144963  0.441356  0.588523  1
  Fe  Fe50  1  0.448923  0.262814  0.600723  1
  Fe  Fe51  1  0.841036  0.621473  0.576067  1
  Fe  Fe52  1  0.014242  0.321329  0.596720  1
  Fe  Fe53  1  0.318081  0.142716  0.608986  1
  Fe  Fe54  1  0.710474  0.501747  0.584301  1
  Fe  Fe55  1  0.055963  0.902116  0.625369  1
  Fe  Fe56  1  0.360341  0.724399  0.637538  1
  Fe  Fe57  1  0.752659  0.083017  0.613016  1
  Fe  Fe58  1  0.925234  0.783657  0.633539  1
  Fe  Fe59  1  0.229245  0.600523  0.645908  1
  Fe  Fe60  1  0.622046  0.964143  0.621243  1
  Fe  Fe61  1  0.967936  0.361931  0.662075  1
  Fe  Fe62  1  0.276266  0.175911  0.675421  1
  Fe  Fe63  1  0.664262  0.545350  0.649906  1
  Fe  Fe64  1  0.836458  0.247737  0.670768  1
  Fe  Fe65  1  0.140435  0.049776  0.684324  1
  Fe  Fe66  1  0.533281  0.426751  0.658643  1
  Fe  Fe67  1  0.881087  0.816123  0.699789  1
  Fe  Fe68  1  0.211582  0.598200  0.718096  1
  Fe  Fe69  1  0.576742  0.993690  0.688058  1
  Fe  Fe70  1  0.754106  0.650068  0.715658  1
  Fe  Fe71  1  0.061345  0.452331  0.727084  1
  Fe  Fe72  1  0.446200  0.836670  0.703850  1
  C  C73  1  0.593362  0.513434  0.308947  1
  C  C74  1  0.982227  0.878664  0.283611  1
  C  C75  1  0.289222  0.696097  0.296731  1
  C  C76  1  0.503126  0.976996  0.345603  1
  C  C77  1  0.895780  0.328632  0.321237  1
  C  C78  1  0.198752  0.150111  0.333521  1
  C  C79  1  0.414314  0.436033  0.382398  1
  C  C80  1  0.807411  0.791965  0.358023  1
  C  C81  1  0.110110  0.613268  0.370365  1
  C  C82  1  0.326090  0.895527  0.419800  1
  C  C83  1  0.718598  0.254790  0.395198  1
  C  C84  1  0.022161  0.074700  0.407456  1
  C  C85  1  0.237559  0.356819  0.456796  1
  C  C86  1  0.629893  0.716191  0.432169  1
  C  C87  1  0.933730  0.536274  0.444505  1
  C  C88  1  0.149117  0.818116  0.493834  1
  C  C89  1  0.541247  0.177610  0.469104  1
  C  C90  1  0.845184  0.997878  0.481488  1
  C  C91  1  0.060571  0.279468  0.530882  1
  C  C92  1  0.452700  0.638962  0.506152  1
  C  C93  1  0.756634  0.459199  0.518498  1
  C  C94  1  0.971924  0.740887  0.567818  1
  C  C95  1  0.364258  0.100259  0.543191  1
  C  C96  1  0.668088  0.920804  0.555482  1
  C  C97  1  0.883219  0.202288  0.604789  1
  C  C98  1  0.275727  0.561551  0.580186  1
  C  C99  1  0.579657  0.382378  0.592531  1
  C  C100  1  0.794406  0.665113  0.641963  1
  C  C101  1  0.187504  0.021045  0.617588  1
  C  C102  1  0.491707  0.843810  0.629621  1
  C  C103  1  0.706037  0.128446  0.678749  1
  C  C104  1  0.098692  0.480081  0.654383  1
  C  C105  1  0.403066  0.306967  0.666465  1
  C  C106  1  0.619591  0.578413  0.716376  1
  C  C107  1  0.008455  0.943644  0.691040  1
  C  C108  1  0.312596  0.760981  0.703256  1
