# generated using pymatgen
data_Fe4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39406239
_cell_length_b   5.39406239
_cell_length_c   48.46999182
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4C
_chemical_formula_sum   'Fe40 C10'
_cell_volume   1221.33698511
_cell_formula_units_Z   10
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  0.066785  0.066903  0.294980  1
  Fe  Fe2  1  0.047961  0.576316  0.299609  1
  Fe  Fe3  1  0.576197  0.576316  0.299609  1
  Fe  Fe4  1  0.576197  0.048079  0.299609  1
  Fe  Fe5  1  0.733452  0.733570  0.340166  1
  Fe  Fe6  1  0.703911  0.248340  0.343710  1
  Fe  Fe7  1  0.248222  0.248340  0.343710  1
  Fe  Fe8  1  0.248222  0.704029  0.343710  1
  Fe  Fe9  1  0.400118  0.400237  0.385730  1
  Fe  Fe10  1  0.372951  0.913820  0.389555  1
  Fe  Fe11  1  0.913702  0.913820  0.389555  1
  Fe  Fe12  1  0.913702  0.373069  0.389555  1
  Fe  Fe13  1  0.066785  0.066903  0.431187  1
  Fe  Fe14  1  0.038827  0.580882  0.434904  1
  Fe  Fe15  1  0.580764  0.580882  0.434904  1
  Fe  Fe16  1  0.580764  0.038945  0.434904  1
  Fe  Fe17  1  0.733452  0.733570  0.476680  1
  Fe  Fe18  1  0.705699  0.247446  0.480417  1
  Fe  Fe19  1  0.247328  0.247446  0.480417  1
  Fe  Fe20  1  0.247328  0.705817  0.480417  1
  Fe  Fe21  1  0.400118  0.400237  0.522115  1
  Fe  Fe22  1  0.372268  0.914162  0.525884  1
  Fe  Fe23  1  0.914043  0.914162  0.525884  1
  Fe  Fe24  1  0.914043  0.372387  0.525884  1
  Fe  Fe25  1  0.066785  0.066903  0.567712  1
  Fe  Fe26  1  0.039141  0.580725  0.571375  1
  Fe  Fe27  1  0.580607  0.580725  0.571375  1
  Fe  Fe28  1  0.580607  0.039260  0.571375  1
  Fe  Fe29  1  0.733452  0.733570  0.612917  1
  Fe  Fe30  1  0.705185  0.247703  0.616802  1
  Fe  Fe31  1  0.247585  0.247703  0.616802  1
  Fe  Fe32  1  0.247585  0.705304  0.616802  1
  Fe  Fe33  1  0.400118  0.400237  0.658677  1
  Fe  Fe34  1  0.373538  0.913527  0.662462  1
  Fe  Fe35  1  0.913409  0.913527  0.662462  1
  Fe  Fe36  1  0.913409  0.373656  0.662462  1
  Fe  Fe37  1  0.066785  0.066903  0.705531  1
  Fe  Fe38  1  0.036961  0.581816  0.707327  1
  Fe  Fe39  1  0.581697  0.581816  0.707327  1
  Fe  Fe40  1  0.581697  0.037079  0.707327  1
  C  C41  1  0.400118  0.400237  0.285475  1
  C  C42  1  0.066785  0.066903  0.331969  1
  C  C43  1  0.733452  0.733570  0.377069  1
  C  C44  1  0.400118  0.400237  0.422653  1
  C  C45  1  0.066785  0.066903  0.468101  1
  C  C46  1  0.733452  0.733570  0.513597  1
  C  C47  1  0.400118  0.400237  0.559030  1
  C  C48  1  0.066785  0.066903  0.604637  1
  C  C49  1  0.733452  0.733570  0.649801  1
  C  C50  1  0.400118  0.400237  0.695587  1
