# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16056105
_cell_length_b   4.26577107
_cell_length_c   46.97397539
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   43.90232219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe30 C15'
_cell_volume   856.009133565
_cell_formula_units_Z   15
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  0.640940  0.103537  0.279709  1
  Fe  Fe2  1  0.251485  0.103442  0.279742  1
  Fe  Fe3  1  0.308633  0.724629  0.317018  1
  Fe  Fe4  1  0.962798  0.724473  0.317040  1
  Fe  Fe5  1  0.984533  0.362487  0.348341  1
  Fe  Fe6  1  0.649901  0.362203  0.348363  1
  Fe  Fe7  1  0.663998  0.002229  0.378536  1
  Fe  Fe8  1  0.330809  0.002456  0.378525  1
  Fe  Fe9  1  0.344455  0.641884  0.408607  1
  Fe  Fe10  1  0.011304  0.641794  0.408616  1
  Fe  Fe11  1  0.024508  0.282175  0.438853  1
  Fe  Fe12  1  0.691727  0.281690  0.438891  1
  Fe  Fe13  1  0.704930  0.922644  0.469226  1
  Fe  Fe14  1  0.371492  0.922320  0.469254  1
  Fe  Fe15  1  0.385134  0.562663  0.499486  1
  Fe  Fe16  1  0.051644  0.562604  0.499495  1
  Fe  Fe17  1  0.065285  0.202947  0.529727  1
  Fe  Fe18  1  0.731847  0.202623  0.529755  1
  Fe  Fe19  1  0.745050  0.843577  0.560090  1
  Fe  Fe20  1  0.412269  0.843092  0.560128  1
  Fe  Fe21  1  0.425473  0.483472  0.590365  1
  Fe  Fe22  1  0.092322  0.483383  0.590374  1
  Fe  Fe23  1  0.105968  0.122811  0.620456  1
  Fe  Fe24  1  0.772779  0.123038  0.620445  1
  Fe  Fe25  1  0.786876  0.763064  0.650618  1
  Fe  Fe26  1  0.452244  0.762780  0.650640  1
  Fe  Fe27  1  0.473979  0.400794  0.681941  1
  Fe  Fe28  1  0.128144  0.400638  0.681963  1
  Fe  Fe29  1  0.185293  0.021825  0.719239  1
  Fe  Fe30  1  0.795837  0.021730  0.719272  1
  C  C31  1  0.962598  0.070595  0.287907  1
  C  C32  1  0.640751  0.714549  0.318367  1
  C  C33  1  0.316158  0.364435  0.347981  1
  C  C34  1  0.997514  0.002088  0.378088  1
  C  C35  1  0.677813  0.641955  0.408750  1
  C  C36  1  0.358092  0.282010  0.438983  1
  C  C37  1  0.038262  0.922332  0.469181  1
  C  C38  1  0.718389  0.562633  0.499491  1
  C  C39  1  0.398515  0.202935  0.529800  1
  C  C40  1  0.078685  0.843257  0.559998  1
  C  C41  1  0.758964  0.483312  0.590231  1
  C  C42  1  0.439263  0.123179  0.620893  1
  C  C43  1  0.120619  0.760832  0.651000  1
  C  C44  1  0.796027  0.410718  0.680614  1
  C  C45  1  0.474179  0.054672  0.711074  1
