# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20976141
_cell_length_b   5.31768068
_cell_length_c   47.94330654
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.75759104
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe44 C22'
_cell_volume   1292.89633639
_cell_formula_units_Z   22
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  0.111903  0.545963  0.270279  1
  Fe  Fe2  1  0.253484  0.933675  0.304877  1
  Fe  Fe3  1  0.601303  0.589527  0.273204  1
  Fe  Fe4  1  0.765350  0.904209  0.303943  1
  Fe  Fe5  1  0.919467  0.362886  0.311847  1
  Fe  Fe6  1  0.057274  0.755382  0.347162  1
  Fe  Fe7  1  0.415118  0.397374  0.313676  1
  Fe  Fe8  1  0.567835  0.714335  0.345045  1
  Fe  Fe9  1  0.729465  0.179852  0.353404  1
  Fe  Fe10  1  0.868529  0.571662  0.388766  1
  Fe  Fe11  1  0.222909  0.217690  0.355670  1
  Fe  Fe12  1  0.377603  0.533459  0.386764  1
  Fe  Fe13  1  0.540265  0.996551  0.395194  1
  Fe  Fe14  1  0.678501  0.389481  0.430313  1
  Fe  Fe15  1  0.032000  0.035052  0.397177  1
  Fe  Fe16  1  0.186240  0.351211  0.428378  1
  Fe  Fe17  1  0.349589  0.814932  0.436870  1
  Fe  Fe18  1  0.487131  0.208092  0.472034  1
  Fe  Fe19  1  0.840979  0.853448  0.438847  1
  Fe  Fe20  1  0.995382  0.169664  0.470064  1
  Fe  Fe21  1  0.158438  0.633322  0.478519  1
  Fe  Fe22  1  0.296233  0.026519  0.513707  1
  Fe  Fe23  1  0.650108  0.671765  0.480488  1
  Fe  Fe24  1  0.804432  0.988143  0.511747  1
  Fe  Fe25  1  0.967495  0.451780  0.520195  1
  Fe  Fe26  1  0.104872  0.845077  0.555350  1
  Fe  Fe27  1  0.459157  0.490222  0.522164  1
  Fe  Fe28  1  0.613537  0.806491  0.553396  1
  Fe  Fe29  1  0.775887  0.270595  0.561930  1
  Fe  Fe30  1  0.913623  0.663674  0.597022  1
  Fe  Fe31  1  0.268348  0.308821  0.563856  1
  Fe  Fe32  1  0.422723  0.624930  0.595047  1
  Fe  Fe33  1  0.585184  0.088761  0.603518  1
  Fe  Fe34  1  0.724489  0.480945  0.638816  1
  Fe  Fe35  1  0.077330  0.126925  0.605502  1
  Fe  Fe36  1  0.231989  0.443208  0.636732  1
  Fe  Fe37  1  0.397280  0.904913  0.644953  1
  Fe  Fe38  1  0.535306  0.299559  0.680378  1
  Fe  Fe39  1  0.886645  0.945176  0.647175  1
  Fe  Fe40  1  0.040269  0.263200  0.678873  1
  Fe  Fe41  1  0.202601  0.727592  0.687017  1
  Fe  Fe42  1  0.341847  0.114880  0.721818  1
  Fe  Fe43  1  0.693591  0.761574  0.688723  1
  Fe  Fe44  1  0.851647  0.075302  0.719258  1
  C  C45  1  0.682278  0.241881  0.287279  1
  C  C46  1  0.087978  0.647641  0.308817  1
  C  C47  1  0.489127  0.056362  0.329485  1
  C  C48  1  0.895538  0.466197  0.350338  1
  C  C49  1  0.299945  0.875117  0.371094  1
  C  C50  1  0.704664  0.283844  0.391887  1
  C  C51  1  0.109197  0.693239  0.412806  1
  C  C52  1  0.513701  0.102457  0.433610  1
  C  C53  1  0.918236  0.511490  0.454440  1
  C  C54  1  0.322744  0.920744  0.475288  1
  C  C55  1  0.727292  0.329948  0.496116  1
  C  C56  1  0.131817  0.739168  0.516936  1
  C  C57  1  0.536316  0.148425  0.537796  1
  C  C58  1  0.940851  0.557493  0.558616  1
  C  C59  1  0.345206  0.966770  0.579422  1
  C  C60  1  0.749902  0.375964  0.600366  1
  C  C61  1  0.154339  0.784917  0.621082  1
  C  C62  1  0.559252  0.194095  0.641953  1
  C  C63  1  0.964545  0.603524  0.662851  1
  C  C64  1  0.368515  0.013530  0.683268  1
  C  C65  1  0.771487  0.422069  0.704946  1
  C  C66  1  0.177946  0.827576  0.725619  1
