# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67214651
_cell_length_b   5.21873955
_cell_length_c   48.58882427
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe40 C20'
_cell_volume   1184.72749271
_cell_formula_units_Z   20
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  0.272406  0.059604  0.309269  1
  Fe  Fe2  1  0.727736  0.829117  0.296078  1
  Fe  Fe3  1  0.228905  0.559604  0.309269  1
  Fe  Fe4  1  0.773574  0.329117  0.296078  1
  Fe  Fe5  1  0.276307  0.824097  0.355000  1
  Fe  Fe6  1  0.726851  0.595963  0.341272  1
  Fe  Fe7  1  0.225003  0.324097  0.355000  1
  Fe  Fe8  1  0.774459  0.095963  0.341272  1
  Fe  Fe9  1  0.274081  0.592679  0.400328  1
  Fe  Fe10  1  0.726517  0.363810  0.386880  1
  Fe  Fe11  1  0.227229  0.092679  0.400328  1
  Fe  Fe12  1  0.774794  0.863810  0.386880  1
  Fe  Fe13  1  0.274961  0.359155  0.445825  1
  Fe  Fe14  1  0.726576  0.130583  0.432277  1
  Fe  Fe15  1  0.226349  0.859155  0.445825  1
  Fe  Fe16  1  0.774734  0.630583  0.432277  1
  Fe  Fe17  1  0.274647  0.126412  0.491255  1
  Fe  Fe18  1  0.726641  0.897703  0.477750  1
  Fe  Fe19  1  0.226663  0.626412  0.491255  1
  Fe  Fe20  1  0.774669  0.397703  0.477750  1
  Fe  Fe21  1  0.274747  0.893490  0.536726  1
  Fe  Fe22  1  0.726395  0.664906  0.523183  1
  Fe  Fe23  1  0.226563  0.393490  0.536726  1
  Fe  Fe24  1  0.774915  0.164906  0.523183  1
  Fe  Fe25  1  0.274833  0.660297  0.582128  1
  Fe  Fe26  1  0.727143  0.431473  0.568672  1
  Fe  Fe27  1  0.226478  0.160297  0.582128  1
  Fe  Fe28  1  0.774167  0.931473  0.568672  1
  Fe  Fe29  1  0.274114  0.428165  0.627748  1
  Fe  Fe30  1  0.725273  0.199825  0.614014  1
  Fe  Fe31  1  0.227196  0.928165  0.627748  1
  Fe  Fe32  1  0.776037  0.699825  0.614014  1
  Fe  Fe33  1  0.274547  0.194749  0.672870  1
  Fe  Fe34  1  0.727344  0.965480  0.659724  1
  Fe  Fe35  1  0.226763  0.694749  0.672870  1
  Fe  Fe36  1  0.773966  0.465480  0.659724  1
  Fe  Fe37  1  0.278749  0.963525  0.718414  1
  Fe  Fe38  1  0.737781  0.724030  0.705015  1
  Fe  Fe39  1  0.222561  0.463525  0.718414  1
  Fe  Fe40  1  0.763529  0.224030  0.705015  1
  C  C41  1  0.502699  0.560962  0.279751  1
  C  C42  1  0.998611  0.060962  0.279751  1
  C  C43  1  0.499117  0.326845  0.325525  1
  C  C44  1  0.002194  0.826845  0.325525  1
  C  C45  1  0.501239  0.094601  0.370833  1
  C  C46  1  1.000071  0.594601  0.370833  1
  C  C47  1  0.500444  0.861356  0.416342  1
  C  C48  1  0.000866  0.361356  0.416342  1
  C  C49  1  0.500747  0.628552  0.461770  1
  C  C50  1  1.000563  0.128552  0.461770  1
  C  C51  1  0.500575  0.395546  0.507235  1
  C  C52  1  0.000736  0.895546  0.507235  1
  C  C53  1  0.500823  0.162724  0.552666  1
  C  C54  1  1.000487  0.662724  0.552666  1
  C  C55  1  0.500136  0.929543  0.598164  1
  C  C56  1  0.001174  0.429543  0.598164  1
  C  C57  1  0.502198  0.697001  0.643513  1
  C  C58  1  0.999112  0.197001  0.643513  1
  C  C59  1  0.498754  0.463667  0.689115  1
  C  C60  1  0.002556  0.963667  0.689115  1
