# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56944607
_cell_length_b   6.87513461
_cell_length_c   47.99237374
_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   'Fe48 C24'
_cell_volume   1507.70714376
_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  0.346420  0.476732  0.305108  1
  Fe  Fe2  1  0.350882  0.206334  0.340681  1
  Fe  Fe3  1  0.649202  0.728490  0.343880  1
  Fe  Fe4  1  0.647944  0.998069  0.308456  1
  Fe  Fe5  1  0.851527  0.362858  0.326280  1
  Fe  Fe6  1  0.855889  0.632437  0.291218  1
  Fe  Fe7  1  0.149208  0.572152  0.358493  1
  Fe  Fe8  1  0.150487  0.840838  0.322932  1
  Fe  Fe9  1  0.350154  0.937654  0.376388  1
  Fe  Fe10  1  0.350398  0.669132  0.412123  1
  Fe  Fe11  1  0.648814  0.191210  0.415531  1
  Fe  Fe12  1  0.648795  0.459670  0.379789  1
  Fe  Fe13  1  0.850473  0.825475  0.397701  1
  Fe  Fe14  1  0.850143  0.094067  0.361840  1
  Fe  Fe15  1  0.148590  0.034825  0.429989  1
  Fe  Fe16  1  0.148806  0.303401  0.394244  1
  Fe  Fe17  1  0.350576  0.400523  0.447848  1
  Fe  Fe18  1  0.350502  0.131981  0.483567  1
  Fe  Fe19  1  0.649000  0.654042  0.486954  1
  Fe  Fe20  1  0.648928  0.922625  0.451214  1
  Fe  Fe21  1  0.850594  0.288324  0.469090  1
  Fe  Fe22  1  0.850319  0.556962  0.433317  1
  Fe  Fe23  1  0.149009  0.497658  0.501444  1
  Fe  Fe24  1  0.148911  0.766210  0.465719  1
  Fe  Fe25  1  0.350533  0.863341  0.519324  1
  Fe  Fe26  1  0.350193  0.594714  0.555107  1
  Fe  Fe27  1  0.648461  0.116851  0.558419  1
  Fe  Fe28  1  0.648850  0.385457  0.522691  1
  Fe  Fe29  1  0.850497  0.751188  0.540557  1
  Fe  Fe30  1  0.850410  0.019690  0.504834  1
  Fe  Fe31  1  0.148894  0.960447  0.572916  1
  Fe  Fe32  1  0.148793  0.229075  0.537174  1
  Fe  Fe33  1  0.350585  0.326202  0.590654  1
  Fe  Fe34  1  0.350738  0.057625  0.626498  1
  Fe  Fe35  1  0.650150  0.579444  0.629893  1
  Fe  Fe36  1  0.649166  0.848197  0.594155  1
  Fe  Fe37  1  0.849972  0.214019  0.611997  1
  Fe  Fe38  1  0.850493  0.482545  0.576277  1
  Fe  Fe39  1  0.149323  0.422920  0.644607  1
  Fe  Fe40  1  0.148751  0.692041  0.608577  1
  Fe  Fe41  1  0.350189  0.789432  0.662480  1
  Fe  Fe42  1  0.352477  0.518728  0.697677  1
  Fe  Fe43  1  0.667208  0.036358  0.700604  1
  Fe  Fe44  1  0.648444  0.311715  0.665499  1
  Fe  Fe45  1  0.849963  0.675473  0.683386  1
  Fe  Fe46  1  0.852502  0.945441  0.647826  1
  Fe  Fe47  1  0.146138  0.887589  0.714920  1
  Fe  Fe48  1  0.150303  0.153766  0.680176  1
  C  C49  1  0.997741  0.369886  0.288743  1
  C  C50  1  0.000331  0.101703  0.324455  1
  C  C51  1  0.500100  0.467365  0.342354  1
  C  C52  1  0.500233  0.736747  0.306451  1
  C  C53  1  0.999116  0.832937  0.360264  1
  C  C54  1  0.999779  0.564496  0.395905  1
  C  C55  1  0.499396  0.930233  0.413806  1
  C  C56  1  0.499715  0.198595  0.378109  1
  C  C57  1  0.999737  0.295958  0.431669  1
  C  C58  1  0.999635  0.027234  0.467416  1
  C  C59  1  0.499803  0.392997  0.485266  1
  C  C60  1  0.499709  0.661580  0.449538  1
  C  C61  1  0.999763  0.758687  0.503141  1
  C  C62  1  0.999680  0.490146  0.538858  1
  C  C63  1  0.499667  0.855706  0.556745  1
  C  C64  1  0.499568  0.124435  0.520990  1
  C  C65  1  0.999363  0.221414  0.574584  1
  C  C66  1  0.999769  0.953112  0.610338  1
  C  C67  1  0.498946  0.318936  0.628100  1
  C  C68  1  0.499925  0.587150  0.592509  1
  C  C69  1  0.000994  0.684263  0.646044  1
  C  C70  1  0.999084  0.414282  0.681992  1
  C  C71  1  0.500359  0.779876  0.699860  1
  C  C72  1  0.501153  0.050157  0.663873  1
