# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53434505
_cell_length_b   4.27605539
_cell_length_c   47.03758597
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.58193861
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe22 C11'
_cell_volume   646.452503671
_cell_formula_units_Z   11
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  0.790981  0.581777  0.311819  1
  Fe  Fe2  1  0.015189  0.030355  0.285187  1
  Fe  Fe3  1  0.976671  0.951097  0.352507  1
  Fe  Fe4  1  0.186881  0.371389  0.326449  1
  Fe  Fe5  1  0.164272  0.325258  0.392471  1
  Fe  Fe6  1  0.373221  0.743923  0.365845  1
  Fe  Fe7  1  0.351033  0.697828  0.432467  1
  Fe  Fe8  1  0.560032  0.116534  0.405783  1
  Fe  Fe9  1  0.537753  0.070337  0.472461  1
  Fe  Fe10  1  0.746731  0.488990  0.445776  1
  Fe  Fe11  1  0.724478  0.442852  0.512439  1
  Fe  Fe12  1  0.933443  0.861479  0.485767  1
  Fe  Fe13  1  0.911191  0.815340  0.552430  1
  Fe  Fe14  1  0.120168  0.233994  0.525745  1
  Fe  Fe15  1  0.097889  0.187797  0.592423  1
  Fe  Fe16  1  0.306889  0.606502  0.565739  1
  Fe  Fe17  1  0.284701  0.560407  0.632361  1
  Fe  Fe18  1  0.493649  0.979073  0.605735  1
  Fe  Fe19  1  0.471041  0.932942  0.671757  1
  Fe  Fe20  1  0.681251  0.353234  0.645699  1
  Fe  Fe21  1  0.642732  0.273975  0.713019  1
  Fe  Fe22  1  0.866940  0.722553  0.686388  1
  C  C23  1  0.395040  0.789227  0.299169  1
  C  C24  1  0.581666  0.161526  0.339140  1
  C  C25  1  0.768842  0.534689  0.379138  1
  C  C26  1  0.955509  0.907139  0.419141  1
  C  C27  1  0.142243  0.279668  0.459112  1
  C  C28  1  0.328961  0.652165  0.499103  1
  C  C29  1  0.515678  0.024663  0.539094  1
  C  C30  1  0.702413  0.397191  0.579065  1
  C  C31  1  0.889080  0.769641  0.619068  1
  C  C32  1  0.076256  0.142804  0.659066  1
  C  C33  1  0.262882  0.515103  0.699037  1
