# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16724788
_cell_length_b   5.91872523
_cell_length_c   48.28370462
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.30104729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe52 C26'
_cell_volume   1505.93588776
_cell_formula_units_Z   26
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  0.335722  0.311798  0.273220  1
  Fe  Fe2  1  0.564796  0.758060  0.284229  1
  Fe  Fe3  1  0.974862  0.311075  0.273173  1
  Fe  Fe4  1  0.191262  0.756499  0.284120  1
  Fe  Fe5  1  0.768810  0.192673  0.311625  1
  Fe  Fe6  1  0.000051  0.648242  0.324398  1
  Fe  Fe7  1  0.423144  0.192365  0.311592  1
  Fe  Fe8  1  0.647570  0.648194  0.324385  1
  Fe  Fe9  1  0.196201  0.049735  0.348119  1
  Fe  Fe10  1  0.419833  0.503026  0.360176  1
  Fe  Fe11  1  0.852657  0.049548  0.348091  1
  Fe  Fe12  1  0.082399  0.502825  0.360155  1
  Fe  Fe13  1  0.623813  0.905745  0.384242  1
  Fe  Fe14  1  0.852320  0.360528  0.396795  1
  Fe  Fe15  1  0.280974  0.905538  0.384197  1
  Fe  Fe16  1  0.507373  0.360467  0.396766  1
  Fe  Fe17  1  0.054991  0.766375  0.420820  1
  Fe  Fe18  1  0.281259  0.218947  0.433221  1
  Fe  Fe19  1  0.710227  0.766311  0.420787  1
  Fe  Fe20  1  0.936651  0.218871  0.433184  1
  Fe  Fe21  1  0.484844  0.626555  0.457186  1
  Fe  Fe22  1  0.711161  0.079271  0.469577  1
  Fe  Fe23  1  0.140274  0.626491  0.457148  1
  Fe  Fe24  1  0.366801  0.079219  0.469539  1
  Fe  Fe25  1  0.915282  0.487327  0.493592  1
  Fe  Fe26  1  0.141610  0.940044  0.506000  1
  Fe  Fe27  1  0.570312  0.487277  0.493552  1
  Fe  Fe28  1  0.796803  0.939997  0.505959  1
  Fe  Fe29  1  0.345298  0.348117  0.530011  1
  Fe  Fe30  1  0.571647  0.800840  0.542404  1
  Fe  Fe31  1  0.000753  0.348071  0.529973  1
  Fe  Fe32  1  0.227246  0.800789  0.542365  1
  Fe  Fe33  1  0.775208  0.208359  0.566398  1
  Fe  Fe34  1  0.001691  0.661041  0.578765  1
  Fe  Fe35  1  0.430769  0.208302  0.566360  1
  Fe  Fe36  1  0.657103  0.660993  0.578731  1
  Fe  Fe37  1  0.204742  0.066920  0.602783  1
  Fe  Fe38  1  0.430962  0.521829  0.615358  1
  Fe  Fe39  1  0.859588  0.066857  0.602753  1
  Fe  Fe40  1  0.088248  0.521613  0.615312  1
  Fe  Fe41  1  0.629583  0.924500  0.639412  1
  Fe  Fe42  1  0.859325  0.377782  0.651475  1
  Fe  Fe43  1  0.292137  0.924295  0.639391  1
  Fe  Fe44  1  0.515779  0.377593  0.651447  1
  Fe  Fe45  1  0.064518  0.779185  0.675167  1
  Fe  Fe46  1  0.288811  0.234986  0.687968  1
  Fe  Fe47  1  0.711877  0.779135  0.675154  1
  Fe  Fe48  1  0.943222  0.234677  0.687935  1
  Fe  Fe49  1  0.520711  0.670812  0.715446  1
  Fe  Fe50  1  0.737108  0.116230  0.726392  1
  Fe  Fe51  1  0.147185  0.669252  0.715336  1
  Fe  Fe52  1  0.376255  0.115512  0.726345  1
  C  C53  1  0.640422  0.281531  0.277690  1
  C  C54  1  0.877960  0.756701  0.293631  1
  C  C55  1  0.104282  0.208970  0.305734  1
  C  C56  1  0.311197  0.623014  0.327531  1
  C  C57  1  0.539232  0.078950  0.342555  1
  C  C58  1  0.738959  0.478750  0.366067  1
  C  C59  1  0.964562  0.929817  0.378822  1
  C  C60  1  0.167976  0.336889  0.402400  1
  C  C61  1  0.393979  0.788914  0.415165  1
  C  C62  1  0.597805  0.196815  0.438791  1
  C  C63  1  0.823604  0.648367  0.451599  1
  C  C64  1  0.027962  0.057425  0.475225  1
  C  C65  1  0.253688  0.508865  0.487984  1
  C  C66  1  0.458224  0.918280  0.511614  1
  C  C67  1  0.683954  0.369730  0.524372  1
  C  C68  1  0.888306  0.778792  0.548000  1
  C  C69  1  0.114103  0.230346  0.560810  1
  C  C70  1  0.317945  0.638299  0.584426  1
  C  C71  1  0.544053  0.090536  0.597138  1
  C  C72  1  0.747409  0.497494  0.620746  1
  C  C73  1  0.972947  0.948432  0.633537  1
  C  C74  1  0.172726  0.348332  0.657025  1
  C  C75  1  0.400786  0.804315  0.672035  1
  C  C76  1  0.607698  0.218350  0.693832  1
  C  C77  1  0.833968  0.670515  0.705964  1
  C  C78  1  0.071557  0.145788  0.721877  1
