# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52189598
_cell_length_b   10.40678501
_cell_length_c   49.25514327
_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   'Fe40 C20'
_cell_volume   1292.692824
_cell_formula_units_Z   20
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  -0.000285  0.306195  0.360771  1
  Fe  Fe2  1  -0.000285  0.897309  0.319233  1
  Fe  Fe3  1  -0.000285  0.545472  0.354586  1
  Fe  Fe4  1  -0.000285  0.141810  0.313241  1
  Fe  Fe5  1  0.499715  0.383164  0.317852  1
  Fe  Fe6  1  0.499715  0.784918  0.358585  1
  Fe  Fe7  1  0.499715  0.661512  0.315272  1
  Fe  Fe8  1  0.499715  0.063444  0.356834  1
  Fe  Fe9  1  -0.000285  0.111747  0.444159  1
  Fe  Fe10  1  -0.000285  0.707647  0.402471  1
  Fe  Fe11  1  -0.000285  0.351955  0.438167  1
  Fe  Fe12  1  -0.000285  0.948244  0.396482  1
  Fe  Fe13  1  0.499715  0.189294  0.400677  1
  Fe  Fe14  1  0.499715  0.592338  0.442141  1
  Fe  Fe15  1  0.499715  0.467758  0.398499  1
  Fe  Fe16  1  0.499715  0.870833  0.440128  1
  Fe  Fe17  1  -0.000285  0.918553  0.527528  1
  Fe  Fe18  1  -0.000285  0.515176  0.485888  1
  Fe  Fe19  1  -0.000285  0.158741  0.521523  1
  Fe  Fe20  1  -0.000285  0.755254  0.479820  1
  Fe  Fe21  1  0.499715  0.995977  0.483884  1
  Fe  Fe22  1  0.499715  0.399590  0.525551  1
  Fe  Fe23  1  0.499715  0.274464  0.481803  1
  Fe  Fe24  1  0.499715  0.678083  0.523538  1
  Fe  Fe25  1  -0.000285  0.725452  0.610977  1
  Fe  Fe26  1  -0.000285  0.321920  0.569252  1
  Fe  Fe27  1  -0.000285  0.964971  0.604908  1
  Fe  Fe28  1  -0.000285  0.562282  0.563249  1
  Fe  Fe29  1  0.499715  0.802811  0.567228  1
  Fe  Fe30  1  0.499715  0.206389  0.608735  1
  Fe  Fe31  1  0.499715  0.081282  0.565056  1
  Fe  Fe32  1  0.499715  0.484882  0.606868  1
  Fe  Fe33  1  -0.000285  0.530833  0.694201  1
  Fe  Fe34  1  -0.000285  0.127715  0.652699  1
  Fe  Fe35  1  -0.000285  0.779377  0.688119  1
  Fe  Fe36  1  -0.000285  0.366350  0.646683  1
  Fe  Fe37  1  0.499715  0.608991  0.650715  1
  Fe  Fe38  1  0.499715  0.009843  0.691847  1
  Fe  Fe39  1  0.499715  0.887300  0.647935  1
  Fe  Fe40  1  0.499715  0.288169  0.689293  1
  C  C41  1  0.999715  0.522190  0.315891  1
  C  C42  1  0.999715  0.924199  0.357815  1
  C  C43  1  0.499715  0.818903  0.294887  1
  C  C44  1  0.499715  0.222859  0.337182  1
  C  C45  1  0.999715  0.328513  0.399483  1
  C  C46  1  0.999715  0.731586  0.441142  1
  C  C47  1  0.499715  0.626377  0.378558  1
  C  C48  1  0.499715  0.029884  0.420338  1
  C  C49  1  0.999715  0.135220  0.482842  1
  C  C50  1  0.999715  0.538839  0.524566  1
  C  C51  1  0.499715  0.433559  0.462028  1
  C  C52  1  0.499715  0.836920  0.503672  1
  C  C53  1  0.999715  0.942057  0.566211  1
  C  C54  1  0.999715  0.345648  0.607930  1
  C  C55  1  0.499715  0.240569  0.545350  1
  C  C56  1  0.499715  0.643979  0.587097  1
  C  C57  1  0.999715  0.748225  0.649679  1
  C  C58  1  0.999715  0.149194  0.691440  1
  C  C59  1  0.499715  0.047607  0.628610  1
  C  C60  1  0.499715  0.449420  0.670314  1
