# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58010867
_cell_length_b   5.91385607
_cell_length_c   46.45053374
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.54518878
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe32 C16'
_cell_volume   938.17751171
_cell_formula_units_Z   16
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  0.678201  0.623797  0.302895  1
  Fe  Fe2  1  0.862673  0.255478  0.281135  1
  Fe  Fe3  1  0.233802  0.512609  0.327783  1
  Fe  Fe4  1  0.416605  0.148780  0.302145  1
  Fe  Fe5  1  0.341131  0.302601  0.365720  1
  Fe  Fe6  1  0.519604  0.945283  0.338386  1
  Fe  Fe7  1  0.893518  0.200079  0.384621  1
  Fe  Fe8  1  0.068677  0.849280  0.356782  1
  Fe  Fe9  1  0.992400  0.002895  0.421550  1
  Fe  Fe10  1  0.166972  0.652547  0.393829  1
  Fe  Fe11  1  0.543368  0.903600  0.440095  1
  Fe  Fe12  1  0.718054  0.552782  0.412430  1
  Fe  Fe13  1  0.642616  0.705627  0.477035  1
  Fe  Fe14  1  0.817501  0.354348  0.449302  1
  Fe  Fe15  1  0.193733  0.605941  0.495648  1
  Fe  Fe16  1  0.368525  0.254844  0.467880  1
  Fe  Fe17  1  0.292829  0.408270  0.532617  1
  Fe  Fe18  1  0.467621  0.057172  0.504849  1
  Fe  Fe19  1  0.843853  0.308766  0.551195  1
  Fe  Fe20  1  0.018738  0.957487  0.523462  1
  Fe  Fe21  1  0.943301  0.110332  0.588067  1
  Fe  Fe22  1  0.117987  0.759514  0.560402  1
  Fe  Fe23  1  0.494383  0.010567  0.606668  1
  Fe  Fe24  1  0.668955  0.660219  0.578947  1
  Fe  Fe25  1  0.592678  0.813834  0.643715  1
  Fe  Fe26  1  0.767836  0.463035  0.615876  1
  Fe  Fe27  1  0.141750  0.717831  0.662111  1
  Fe  Fe28  1  0.320223  0.360513  0.634777  1
  Fe  Fe29  1  0.244750  0.514334  0.698352  1
  Fe  Fe30  1  0.427552  0.150505  0.672714  1
  Fe  Fe31  1  0.798681  0.407636  0.719362  1
  Fe  Fe32  1  0.983154  0.039317  0.697602  1
  C  C33  1  0.139961  0.700984  0.291182  1
  C  C34  1  0.959278  0.062366  0.319029  1
  C  C35  1  0.794619  0.396725  0.347924  1
  C  C36  1  0.617382  0.750760  0.375227  1
  C  C37  1  0.442494  0.102652  0.403002  1
  C  C38  1  0.267901  0.453231  0.430782  1
  C  C39  1  0.092987  0.804665  0.458641  1
  C  C40  1  0.918172  0.155801  0.486369  1
  C  C41  1  0.743182  0.507313  0.514127  1
  C  C42  1  0.568367  0.858449  0.541856  1
  C  C43  1  0.393453  0.209883  0.569715  1
  C  C44  1  0.218861  0.560462  0.597495  1
  C  C45  1  0.043973  0.912354  0.625270  1
  C  C46  1  0.866735  0.266389  0.652573  1
  C  C47  1  0.702076  0.600748  0.681468  1
  C  C48  1  0.521393  0.962129  0.709315  1
