# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54734907
_cell_length_b   9.73631318
_cell_length_c   45.96948706
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.44079091
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe54 C27'
_cell_volume   1560.81281639
_cell_formula_units_Z   27
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  0.026979  0.952500  0.321792  1
  Fe  Fe2  1  0.696640  0.610585  0.285796  1
  Fe  Fe3  1  0.367538  0.267610  0.305861  1
  Fe  Fe4  1  0.675317  0.829135  0.275270  1
  Fe  Fe5  1  0.261724  0.481474  0.294512  1
  Fe  Fe6  1  0.920547  0.160845  0.311597  1
  Fe  Fe7  1  0.993729  0.014970  0.371903  1
  Fe  Fe8  1  0.682133  0.638524  0.338031  1
  Fe  Fe9  1  0.337518  0.327624  0.355269  1
  Fe  Fe10  1  0.577008  0.847939  0.327714  1
  Fe  Fe11  1  0.233319  0.535997  0.343638  1
  Fe  Fe12  1  0.889385  0.223764  0.360913  1
  Fe  Fe13  1  0.963466  0.075456  0.421873  1
  Fe  Fe14  1  0.650282  0.701799  0.388573  1
  Fe  Fe15  1  0.306774  0.388981  0.405130  1
  Fe  Fe16  1  0.545558  0.911319  0.377503  1
  Fe  Fe17  1  0.202322  0.597809  0.394059  1
  Fe  Fe18  1  0.858630  0.285306  0.410672  1
  Fe  Fe19  1  0.932458  0.137248  0.471757  1
  Fe  Fe20  1  0.619585  0.763065  0.438447  1
  Fe  Fe21  1  0.275891  0.450471  0.455009  1
  Fe  Fe22  1  0.515368  0.971602  0.427374  1
  Fe  Fe23  1  0.171527  0.659240  0.443961  1
  Fe  Fe24  1  0.827784  0.346719  0.460551  1
  Fe  Fe25  1  0.901594  0.198802  0.521623  1
  Fe  Fe26  1  0.588830  0.824418  0.488401  1
  Fe  Fe27  1  0.245206  0.511639  0.504988  1
  Fe  Fe28  1  0.484366  0.033444  0.477281  1
  Fe  Fe29  1  0.140754  0.720607  0.493916  1
  Fe  Fe30  1  0.797131  0.407828  0.510503  1
  Fe  Fe31  1  0.870593  0.260644  0.571530  1
  Fe  Fe32  1  0.558176  0.885528  0.538353  1
  Fe  Fe33  1  0.214433  0.573007  0.554943  1
  Fe  Fe34  1  0.453502  0.094998  0.527148  1
  Fe  Fe35  1  0.110069  0.781775  0.543895  1
  Fe  Fe36  1  0.766375  0.469181  0.560457  1
  Fe  Fe37  1  0.840402  0.320928  0.621401  1
  Fe  Fe38  1  0.527330  0.946941  0.588232  1
  Fe  Fe39  1  0.183639  0.634438  0.604845  1
  Fe  Fe40  1  0.422494  0.156790  0.577031  1
  Fe  Fe41  1  0.079186  0.843265  0.593774  1
  Fe  Fe42  1  0.735678  0.530448  0.610331  1
  Fe  Fe43  1  0.808952  0.384307  0.671190  1
  Fe  Fe44  1  0.496575  0.008482  0.637991  1
  Fe  Fe45  1  0.152642  0.696249  0.655266  1
  Fe  Fe46  1  0.392231  0.217276  0.627001  1
  Fe  Fe47  1  0.048442  0.904623  0.643635  1
  Fe  Fe48  1  0.703827  0.593722  0.660873  1
  Fe  Fe49  1  0.710644  0.403111  0.723634  1
  Fe  Fe50  1  0.465413  0.071402  0.687307  1
  Fe  Fe51  1  0.124236  0.750772  0.704392  1
  Fe  Fe52  1  0.358981  0.279746  0.677112  1
  Fe  Fe53  1  0.018422  0.964636  0.693043  1
  Fe  Fe54  1  0.689320  0.621661  0.713108  1
  C  C55  1  0.471391  0.059134  0.316340  1
  C  C56  1  0.158771  0.686011  0.282228  1
  C  C57  1  0.818943  0.364468  0.299411  1
  C  C58  1  0.442274  0.118421  0.366508  1
  C  C59  1  0.127920  0.746304  0.333369  1
  C  C60  1  0.785016  0.432927  0.349661  1
  C  C61  1  0.410948  0.180509  0.416309  1
  C  C62  1  0.098489  0.805361  0.382887  1
  C  C63  1  0.754273  0.493944  0.399450  1
  C  C64  1  0.380171  0.241900  0.466137  1
  C  C65  1  0.067394  0.867493  0.432923  1
  C  C66  1  0.723713  0.554852  0.449524  1
  C  C67  1  0.349292  0.303468  0.516039  1
  C  C68  1  0.036668  0.928778  0.482865  1
  C  C69  1  0.692980  0.616123  0.499452  1
  C  C70  1  0.318566  0.364754  0.565981  1
  C  C71  1  0.005789  0.990346  0.532767  1
  C  C72  1  0.662247  0.677394  0.549380  1
  C  C73  1  0.287472  0.426885  0.616018  1
  C  C74  1  0.975012  0.051737  0.582595  1
  C  C75  1  0.631687  0.738302  0.599454  1
  C  C76  1  0.258040  0.485942  0.665535  1
  C  C77  1  0.943686  0.113825  0.632396  1
  C  C78  1  0.600944  0.799319  0.649243  1
  C  C79  1  0.227189  0.546235  0.716676  1
  C  C80  1  0.914569  0.173113  0.682565  1
  C  C81  1  0.567018  0.867779  0.699493  1
