# generated using pymatgen
data_Fe4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81263452
_cell_length_b   5.39499543
_cell_length_c   48.56915184
_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   'Fe32 C8'
_cell_volume   999.025967465
_cell_formula_units_Z   8
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  0.763247  0.850150  0.323774  1
  Fe  Fe2  1  0.223764  0.116876  0.295941  1
  Fe  Fe3  1  0.223764  0.583424  0.295941  1
  Fe  Fe4  1  0.767657  0.350150  0.319759  1
  Fe  Fe5  1  0.774571  0.350150  0.380178  1
  Fe  Fe6  1  0.232445  0.621312  0.349551  1
  Fe  Fe7  1  0.232445  0.078988  0.349551  1
  Fe  Fe8  1  0.773369  0.850150  0.375267  1
  Fe  Fe9  1  0.771832  0.850150  0.435457  1
  Fe  Fe10  1  0.230867  0.120884  0.405585  1
  Fe  Fe11  1  0.230867  0.579417  0.405585  1
  Fe  Fe12  1  0.772017  0.350150  0.430970  1
  Fe  Fe13  1  0.772516  0.350150  0.491173  1
  Fe  Fe14  1  0.231483  0.621305  0.460987  1
  Fe  Fe15  1  0.231483  0.078996  0.460987  1
  Fe  Fe16  1  0.772291  0.850150  0.486533  1
  Fe  Fe17  1  0.772176  0.850150  0.546728  1
  Fe  Fe18  1  0.231014  0.121131  0.516647  1
  Fe  Fe19  1  0.231014  0.579170  0.516647  1
  Fe  Fe20  1  0.772395  0.350150  0.542119  1
  Fe  Fe21  1  0.772250  0.350150  0.602320  1
  Fe  Fe22  1  0.231412  0.621253  0.572255  1
  Fe  Fe23  1  0.231412  0.079047  0.572255  1
  Fe  Fe24  1  0.772245  0.850150  0.597773  1
  Fe  Fe25  1  0.772062  0.850150  0.658029  1
  Fe  Fe26  1  0.231124  0.120947  0.627750  1
  Fe  Fe27  1  0.231124  0.579353  0.627750  1
  Fe  Fe28  1  0.773108  0.350150  0.653228  1
  Fe  Fe29  1  0.779601  0.350150  0.712968  1
  Fe  Fe30  1  0.229402  0.620276  0.683355  1
  Fe  Fe31  1  0.229402  0.080024  0.683355  1
  Fe  Fe32  1  0.742223  0.850150  0.709608  1
  C  C33  1  0.497760  0.850150  0.293571  1
  C  C34  1  0.502665  0.350150  0.350187  1
  C  C35  1  0.501774  0.850150  0.405321  1
  C  C36  1  0.501763  0.350150  0.461086  1
  C  C37  1  0.501556  0.850150  0.516627  1
  C  C38  1  0.501775  0.350150  0.572214  1
  C  C39  1  0.501939  0.850150  0.627889  1
  C  C40  1  0.501757  0.350150  0.683245  1
