# generated using pymatgen
data_Fe4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.80750078
_cell_length_b   8.53414489
_cell_length_c   47.81100903
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4C
_chemical_formula_sum   'Fe48 C12'
_cell_volume   1553.55961238
_cell_formula_units_Z   12
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  0.745408  0.551728  0.296318  1
  Fe  Fe2  1  0.765228  0.953678  0.331497  1
  Fe  Fe3  1  0.231214  0.462508  0.329399  1
  Fe  Fe4  1  0.226148  0.064631  0.295398  1
  Fe  Fe5  1  0.233488  0.136517  0.348310  1
  Fe  Fe6  1  0.228683  0.741382  0.313393  1
  Fe  Fe7  1  0.772767  0.245774  0.310277  1
  Fe  Fe8  1  0.770914  0.647288  0.345362  1
  Fe  Fe9  1  0.774521  0.355082  0.368266  1
  Fe  Fe10  1  0.773159  0.753939  0.403679  1
  Fe  Fe11  1  0.231790  0.262674  0.400889  1
  Fe  Fe12  1  0.233356  0.862735  0.364466  1
  Fe  Fe13  1  0.232277  0.937183  0.420077  1
  Fe  Fe14  1  0.232130  0.538425  0.384493  1
  Fe  Fe15  1  0.773763  0.045406  0.381229  1
  Fe  Fe16  1  0.772503  0.445934  0.417085  1
  Fe  Fe17  1  0.772270  0.153918  0.439308  1
  Fe  Fe18  1  0.773161  0.554180  0.475213  1
  Fe  Fe19  1  0.232667  0.062688  0.472066  1
  Fe  Fe20  1  0.232809  0.662690  0.436405  1
  Fe  Fe21  1  0.232401  0.737415  0.491538  1
  Fe  Fe22  1  0.232908  0.337016  0.455759  1
  Fe  Fe23  1  0.772801  0.845983  0.452788  1
  Fe  Fe24  1  0.773105  0.245763  0.488523  1
  Fe  Fe25  1  0.773105  0.954079  0.510906  1
  Fe  Fe26  1  0.772801  0.353860  0.546640  1
  Fe  Fe27  1  0.232908  0.862826  0.543669  1
  Fe  Fe28  1  0.232401  0.462427  0.507890  1
  Fe  Fe29  1  0.232809  0.537153  0.563024  1
  Fe  Fe30  1  0.232667  0.137154  0.527363  1
  Fe  Fe31  1  0.773161  0.645663  0.524215  1
  Fe  Fe32  1  0.772270  0.045924  0.560120  1
  Fe  Fe33  1  0.772503  0.753909  0.582344  1
  Fe  Fe34  1  0.773763  0.154436  0.618200  1
  Fe  Fe35  1  0.232130  0.661417  0.614936  1
  Fe  Fe36  1  0.232277  0.262659  0.579351  1
  Fe  Fe37  1  0.233356  0.337107  0.634963  1
  Fe  Fe38  1  0.231790  0.937169  0.598539  1
  Fe  Fe39  1  0.773159  0.445903  0.595750  1
  Fe  Fe40  1  0.774521  0.844761  0.631162  1
  Fe  Fe41  1  0.770914  0.552555  0.654066  1
  Fe  Fe42  1  0.772767  0.954069  0.689151  1
  Fe  Fe43  1  0.228683  0.458460  0.686036  1
  Fe  Fe44  1  0.233488  0.063326  0.651118  1
  Fe  Fe45  1  0.226148  0.135211  0.704030  1
  Fe  Fe46  1  0.231214  0.737335  0.670029  1
  Fe  Fe47  1  0.765228  0.246165  0.667932  1
  Fe  Fe48  1  0.745408  0.648115  0.703110  1
  C  C49  1  0.503063  0.300695  0.339352  1
  C  C50  1  0.500026  0.899821  0.302326  1
  C  C51  1  0.502555  0.099548  0.410231  1
  C  C52  1  0.502772  0.700558  0.374601  1
  C  C53  1  0.502705  0.900097  0.481852  1
  C  C54  1  0.502830  0.500036  0.446170  1
  C  C55  1  0.502830  0.699806  0.553258  1
  C  C56  1  0.502705  0.299746  0.517576  1
  C  C57  1  0.502772  0.499284  0.624827  1
  C  C58  1  0.502555  0.100294  0.589197  1
  C  C59  1  0.500026  0.300022  0.697102  1
  C  C60  1  0.503063  0.899147  0.660077  1
