# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54031213
_cell_length_b   9.39223128
_cell_length_c   46.90255019
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe54 C27'
_cell_volume   1559.57687894
_cell_formula_units_Z   27
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  0.668699  0.636998  0.272681  1
  Fe  Fe2  1  0.668699  0.808812  0.313230  1
  Fe  Fe3  1  0.168699  0.223421  0.288171  1
  Fe  Fe4  1  0.168699  0.552365  0.297309  1
  Fe  Fe5  1  0.668699  0.963648  0.279585  1
  Fe  Fe6  1  0.668699  0.149188  0.313378  1
  Fe  Fe7  1  0.168699  0.403135  0.330564  1
  Fe  Fe8  1  0.168699  0.594619  0.363772  1
  Fe  Fe9  1  0.668699  1.000326  0.346952  1
  Fe  Fe10  1  0.668699  0.333197  0.347436  1
  Fe  Fe11  1  0.168699  0.737692  0.330878  1
  Fe  Fe12  1  0.168699  0.928267  0.363733  1
  Fe  Fe13  1  0.668699  0.190420  0.380392  1
  Fe  Fe14  1  0.668699  0.381346  0.413448  1
  Fe  Fe15  1  0.168699  0.785949  0.396854  1
  Fe  Fe16  1  0.168699  0.119233  0.396908  1
  Fe  Fe17  1  0.668699  0.523848  0.380332  1
  Fe  Fe18  1  0.668699  0.714799  0.413403  1
  Fe  Fe19  1  0.168699  0.976660  0.429940  1
  Fe  Fe20  1  0.168699  0.167553  0.463086  1
  Fe  Fe21  1  0.668699  0.572223  0.446551  1
  Fe  Fe22  1  0.668699  0.905547  0.446484  1
  Fe  Fe23  1  0.168699  0.310056  0.430000  1
  Fe  Fe24  1  0.168699  0.500940  0.463109  1
  Fe  Fe25  1  0.668699  0.763089  0.479639  1
  Fe  Fe26  1  0.668699  0.953947  0.512772  1
  Fe  Fe27  1  0.168699  0.358475  0.496216  1
  Fe  Fe28  1  0.168699  0.691812  0.496198  1
  Fe  Fe29  1  0.668699  0.096340  0.479643  1
  Fe  Fe30  1  0.668699  0.287198  0.512775  1
  Fe  Fe31  1  0.168699  0.549347  0.529306  1
  Fe  Fe32  1  0.168699  0.740231  0.562414  1
  Fe  Fe33  1  0.668699  0.144740  0.545930  1
  Fe  Fe34  1  0.668699  0.478064  0.545863  1
  Fe  Fe35  1  0.168699  0.882734  0.529329  1
  Fe  Fe36  1  0.168699  0.073627  0.562475  1
  Fe  Fe37  1  0.668699  0.335488  0.579011  1
  Fe  Fe38  1  0.668699  0.526438  0.612083  1
  Fe  Fe39  1  0.168699  0.931054  0.595506  1
  Fe  Fe40  1  0.168699  0.264338  0.595560  1
  Fe  Fe41  1  0.668699  0.668941  0.578966  1
  Fe  Fe42  1  0.668699  0.859867  0.612023  1
  Fe  Fe43  1  0.168699  0.122020  0.628682  1
  Fe  Fe44  1  0.168699  0.312594  0.661536  1
  Fe  Fe45  1  0.668699  0.717090  0.644979  1
  Fe  Fe46  1  0.668699  0.049961  0.645462  1
  Fe  Fe47  1  0.168699  0.455668  0.628643  1
  Fe  Fe48  1  0.168699  0.647152  0.661850  1
  Fe  Fe49  1  0.668699  0.901099  0.679036  1
  Fe  Fe50  1  0.668699  0.086639  0.712829  1
  Fe  Fe51  1  0.168699  0.497922  0.695106  1
  Fe  Fe52  1  0.168699  0.826866  0.704243  1
  Fe  Fe53  1  0.668699  0.241475  0.679184  1
  Fe  Fe54  1  0.668699  0.413288  0.719733  1
  C  C55  1  0.668699  0.474128  0.314114  1
  C  C56  1  0.168699  0.883587  0.297231  1
  C  C57  1  0.668699  0.292460  0.280272  1
  C  C58  1  0.168699  0.261575  0.363806  1
  C  C59  1  0.668699  0.666366  0.347212  1
  C  C60  1  0.168699  0.069935  0.330790  1
  C  C61  1  0.668699  0.048003  0.413378  1
  C  C62  1  0.168699  0.452635  0.396911  1
  C  C63  1  0.668699  0.857330  0.380147  1
  C  C64  1  0.168699  0.834301  0.463088  1
  C  C65  1  0.668699  0.238825  0.446563  1
  C  C66  1  0.168699  0.643421  0.429982  1
  C  C67  1  0.668699  0.620603  0.512758  1
  C  C68  1  0.168699  0.025143  0.496207  1
  C  C69  1  0.668699  0.429683  0.479656  1
  C  C70  1  0.168699  0.406866  0.562432  1
  C  C71  1  0.668699  0.811461  0.545851  1
  C  C72  1  0.168699  0.215986  0.529327  1
  C  C73  1  0.668699  0.192956  0.612267  1
  C  C74  1  0.168699  0.597652  0.595503  1
  C  C75  1  0.668699  0.002284  0.579036  1
  C  C76  1  0.168699  0.980352  0.661625  1
  C  C77  1  0.668699  0.383921  0.645202  1
  C  C78  1  0.168699  0.788712  0.628608  1
  C  C79  1  0.668699  0.757827  0.712143  1
  C  C80  1  0.168699  0.166700  0.695183  1
  C  C81  1  0.668699  0.576158  0.678301  1
