# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53895982
_cell_length_b   7.92682602
_cell_length_c   48.55291011
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.91842068
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe48 C24'
_cell_volume   1327.56701286
_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  0.939148  0.374805  0.282125  1
  Fe  Fe2  1  0.081417  0.659187  0.308920  1
  Fe  Fe3  1  0.794096  0.084461  0.260964  1
  Fe  Fe4  1  0.418396  0.333094  0.308977  1
  Fe  Fe5  1  0.137828  0.771980  0.268992  1
  Fe  Fe6  1  0.277666  0.051513  0.290081  1
  Fe  Fe7  1  0.363329  0.222771  0.348602  1
  Fe  Fe8  1  0.503850  0.503647  0.368268  1
  Fe  Fe9  1  0.222589  0.941311  0.328926  1
  Fe  Fe10  1  0.836719  0.169310  0.368209  1
  Fe  Fe11  1  0.556544  0.609129  0.328845  1
  Fe  Fe12  1  0.696301  0.888656  0.348471  1
  Fe  Fe13  1  0.783966  0.063748  0.406946  1
  Fe  Fe14  1  0.924356  0.344462  0.426471  1
  Fe  Fe15  1  0.643858  0.783593  0.387535  1
  Fe  Fe16  1  0.257780  0.011328  0.426312  1
  Fe  Fe17  1  0.977445  0.450778  0.387694  1
  Fe  Fe18  1  0.117608  0.731043  0.406914  1
  Fe  Fe19  1  0.205092  0.905815  0.465454  1
  Fe  Fe20  1  0.345317  0.186208  0.484885  1
  Fe  Fe21  1  0.064747  0.625186  0.445975  1
  Fe  Fe22  1  0.678788  0.853160  0.484852  1
  Fe  Fe23  1  0.398082  0.291868  0.445851  1
  Fe  Fe24  1  0.538432  0.572509  0.465373  1
  Fe  Fe25  1  0.625926  0.747310  0.523788  1
  Fe  Fe26  1  0.766277  0.027950  0.543310  1
  Fe  Fe27  1  0.485571  0.466658  0.504309  1
  Fe  Fe28  1  0.099611  0.694632  0.543186  1
  Fe  Fe29  1  0.819042  0.133611  0.504276  1
  Fe  Fe30  1  0.959267  0.414003  0.523707  1
  Fe  Fe31  1  0.046751  0.588775  0.582246  1
  Fe  Fe32  1  0.186913  0.869041  0.601466  1
  Fe  Fe33  1  0.906579  0.308491  0.562849  1
  Fe  Fe34  1  0.520500  0.536226  0.601626  1
  Fe  Fe35  1  0.240003  0.975357  0.562690  1
  Fe  Fe36  1  0.380392  0.256070  0.582215  1
  Fe  Fe37  1  0.468058  0.431163  0.640689  1
  Fe  Fe38  1  0.607815  0.710690  0.660316  1
  Fe  Fe39  1  0.327640  0.150509  0.620952  1
  Fe  Fe40  1  0.941770  0.378508  0.660235  1
  Fe  Fe41  1  0.660509  0.816171  0.620893  1
  Fe  Fe42  1  0.801030  0.097048  0.640558  1
  Fe  Fe43  1  0.886692  0.268305  0.699080  1
  Fe  Fe44  1  0.026530  0.547839  0.720169  1
  Fe  Fe45  1  0.745962  0.986724  0.680184  1
  Fe  Fe46  1  0.370263  0.235357  0.728197  1
  Fe  Fe47  1  0.082942  0.660632  0.680241  1
  Fe  Fe48  1  0.225211  0.945013  0.707036  1
  C  C49  1  0.466474  0.429418  0.269668  1
  C  C50  1  0.608863  0.714089  0.289992  1
  C  C51  1  0.749876  0.995972  0.309584  1
  C  C52  1  0.889217  0.274513  0.329865  1
  C  C53  1  0.029880  0.555806  0.348575  1
  C  C54  1  0.170108  0.836168  0.367804  1
  C  C55  1  0.310523  0.116920  0.387431  1
  C  C56  1  0.450842  0.397495  0.407034  1
  C  C57  1  0.591207  0.678170  0.426539  1
  C  C58  1  0.731418  0.958534  0.445907  1
  C  C59  1  0.871684  0.239010  0.465333  1
  C  C60  1  0.012019  0.519619  0.484827  1
  C  C61  1  0.152340  0.800199  0.504334  1
  C  C62  1  0.292674  0.080808  0.523828  1
  C  C63  1  0.432941  0.361285  0.543254  1
  C  C64  1  0.573151  0.641648  0.562622  1
  C  C65  1  0.713517  0.922324  0.582127  1
  C  C66  1  0.853836  0.202899  0.601730  1
  C  C67  1  0.994251  0.483651  0.621357  1
  C  C68  1  0.134478  0.764012  0.640585  1
  C  C69  1  0.275141  0.045305  0.659295  1
  C  C70  1  0.414482  0.323846  0.679577  1
  C  C71  1  0.555496  0.605729  0.699169  1
  C  C72  1  0.697884  0.890401  0.719493  1
