# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52224687
_cell_length_b   6.53979055
_cell_length_c   48.99170863
_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   'Fe28 C14'
_cell_volume   808.116580678
_cell_formula_units_Z   14
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  -0.000355  0.873949  0.328663  1
  Fe  Fe2  1  -0.000355  0.739754  0.272269  1
  Fe  Fe3  1  0.499645  0.091401  0.292542  1
  Fe  Fe4  1  0.499645  0.517140  0.309032  1
  Fe  Fe5  1  -0.000355  0.381353  0.395180  1
  Fe  Fe6  1  -0.000355  0.249559  0.338660  1
  Fe  Fe7  1  0.499645  0.601887  0.358936  1
  Fe  Fe8  1  0.499645  0.027642  0.375450  1
  Fe  Fe9  1  -0.000355  0.893882  0.461948  1
  Fe  Fe10  1  -0.000355  0.759117  0.405563  1
  Fe  Fe11  1  0.499645  0.113307  0.425458  1
  Fe  Fe12  1  0.499645  0.539051  0.441995  1
  Fe  Fe13  1  -0.000355  0.404707  0.528664  1
  Fe  Fe14  1  -0.000355  0.271325  0.472215  1
  Fe  Fe15  1  0.499645  0.625142  0.492174  1
  Fe  Fe16  1  0.499645  0.050890  0.508704  1
  Fe  Fe17  1  0.999645  0.916915  0.595315  1
  Fe  Fe18  1  0.999645  0.782150  0.538930  1
  Fe  Fe19  1  0.499645  0.136981  0.558884  1
  Fe  Fe20  1  0.499645  0.562724  0.575420  1
  Fe  Fe21  1  0.999645  0.426473  0.662218  1
  Fe  Fe22  1  0.999645  0.294679  0.605698  1
  Fe  Fe23  1  0.499645  0.648389  0.625428  1
  Fe  Fe24  1  0.499645  0.074144  0.641942  1
  Fe  Fe25  1  0.999645  0.936277  0.728609  1
  Fe  Fe26  1  0.999645  0.802082  0.672215  1
  Fe  Fe27  1  0.499645  0.158891  0.691847  1
  Fe  Fe28  1  0.499645  0.584631  0.708336  1
  C  C29  1  0.999645  0.305630  0.300160  1
  C  C30  1  0.499645  0.803942  0.300589  1
  C  C31  1  0.999645  0.815039  0.367072  1
  C  C32  1  0.499645  0.314385  0.366967  1
  C  C33  1  0.999645  0.326248  0.433695  1
  C  C34  1  0.499645  0.826242  0.433767  1
  C  C35  1  0.999645  0.838016  0.500439  1
  C  C36  1  0.499645  0.338016  0.500439  1
  C  C37  1  -0.000355  0.349784  0.567183  1
  C  C38  1  0.499645  0.849790  0.567111  1
  C  C39  1  -0.000355  0.860993  0.633806  1
  C  C40  1  0.499645  0.361647  0.633911  1
  C  C41  1  -0.000355  0.370402  0.700719  1
  C  C42  1  0.499645  0.872089  0.700289  1
