# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61385128
_cell_length_b   5.74956874
_cell_length_c   48.37384987
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.74483182
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe70 C28'
_cell_volume   1696.45501777
_cell_formula_units_Z   14
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  0.818172  0.311421  0.293537  1
  Fe  Fe2  1  0.886069  0.960218  0.306265  1
  Fe  Fe3  1  0.905598  0.623639  0.328966  1
  Fe  Fe4  1  0.537019  0.585613  0.310397  1
  Fe  Fe5  1  0.166875  0.689572  0.289181  1
  Fe  Fe6  1  0.154208  0.361097  0.316501  1
  Fe  Fe7  1  0.470454  0.175026  0.318269  1
  Fe  Fe8  1  0.553973  0.915804  0.282468  1
  Fe  Fe9  1  0.801165  0.659314  0.270812  1
  Fe  Fe10  1  0.238489  0.108085  0.281199  1
  Fe  Fe11  1  0.342747  0.446583  0.359782  1
  Fe  Fe12  1  0.405305  0.092125  0.372904  1
  Fe  Fe13  1  0.425827  0.755548  0.395761  1
  Fe  Fe14  1  0.061203  0.719514  0.376987  1
  Fe  Fe15  1  0.685995  0.820910  0.355695  1
  Fe  Fe16  1  0.676070  0.493187  0.383134  1
  Fe  Fe17  1  0.988826  0.306478  0.385167  1
  Fe  Fe18  1  0.071836  0.045540  0.349625  1
  Fe  Fe19  1  0.322604  0.783588  0.337073  1
  Fe  Fe20  1  0.758262  0.231453  0.347619  1
  Fe  Fe21  1  0.863032  0.577904  0.426569  1
  Fe  Fe22  1  0.925378  0.223536  0.439679  1
  Fe  Fe23  1  0.945767  0.886345  0.462517  1
  Fe  Fe24  1  0.581581  0.849947  0.443684  1
  Fe  Fe25  1  0.206633  0.951767  0.422555  1
  Fe  Fe26  1  0.196086  0.624404  0.449841  1
  Fe  Fe27  1  0.509281  0.437673  0.451792  1
  Fe  Fe28  1  0.592420  0.176874  0.416397  1
  Fe  Fe29  1  0.842727  0.914974  0.403729  1
  Fe  Fe30  1  0.279086  0.363748  0.414468  1
  Fe  Fe31  1  0.382914  0.708532  0.493321  1
  Fe  Fe32  1  0.445313  0.354396  0.506447  1
  Fe  Fe33  1  0.465624  0.017006  0.529276  1
  Fe  Fe34  1  0.101607  0.980522  0.510443  1
  Fe  Fe35  1  0.726620  0.082406  0.489325  1
  Fe  Fe36  1  0.715987  0.755173  0.516593  1
  Fe  Fe37  1  0.029246  0.568402  0.518538  1
  Fe  Fe38  1  0.112240  0.307754  0.483175  1
  Fe  Fe39  1  0.362603  0.045921  0.470493  1
  Fe  Fe40  1  0.798981  0.494525  0.481231  1
  Fe  Fe41  1  0.902849  0.839392  0.560089  1
  Fe  Fe42  1  0.965194  0.485024  0.573199  1
  Fe  Fe43  1  0.985500  0.147954  0.596039  1
  Fe  Fe44  1  0.621594  0.111161  0.577213  1
  Fe  Fe45  1  0.246646  0.212981  0.556084  1
  Fe  Fe46  1  0.235806  0.886054  0.583372  1
  Fe  Fe47  1  0.549141  0.699180  0.585300  1
  Fe  Fe48  1  0.632141  0.438524  0.549927  1
  Fe  Fe49  1  0.882460  0.176583  0.537251  1
  Fe  Fe50  1  0.318946  0.625254  0.547977  1
  Fe  Fe51  1  0.422922  0.970802  0.626864  1
  Fe  Fe52  1  0.485480  0.616344  0.639986  1
  Fe  Fe53  1  0.505623  0.279339  0.662695  1
  Fe  Fe54  1  0.142232  0.242017  0.644073  1
  Fe  Fe55  1  0.767024  0.343414  0.622781  1
  Fe  Fe56  1  0.756391  0.017387  0.650143  1
  Fe  Fe57  1  0.069965  0.831474  0.652149  1
  Fe  Fe58  1  0.152157  0.569740  0.616634  1
  Fe  Fe59  1  0.402400  0.307380  0.604007  1
  Fe  Fe60  1  0.839400  0.756449  0.614602  1
  Fe  Fe61  1  0.942158  0.102710  0.693503  1
  Fe  Fe62  1  0.010055  0.751507  0.706232  1
  Fe  Fe63  1  0.027062  0.403613  0.728956  1
  Fe  Fe64  1  0.661352  0.373356  0.710588  1
  Fe  Fe65  1  0.291208  0.477315  0.689371  1
  Fe  Fe66  1  0.274254  0.147124  0.717300  1
  Fe  Fe67  1  0.589738  0.954842  0.718569  1
  Fe  Fe68  1  0.674019  0.701830  0.683267  1
  Fe  Fe69  1  0.922629  0.439288  0.670802  1
  Fe  Fe70  1  0.357773  0.887902  0.681499  1
  C  C71  1  0.550770  0.347059  0.283391  1
  C  C72  1  0.611556  0.939905  0.321561  1
  C  C73  1  0.091875  0.337077  0.277553  1
  C  C74  1  0.157952  0.932831  0.315887  1
  C  C75  1  0.071893  0.477211  0.350264  1
  C  C76  1  0.132785  0.074300  0.388616  1
  C  C77  1  0.615642  0.464957  0.344140  1
  C  C78  1  0.676034  0.062138  0.382617  1
  C  C79  1  0.592410  0.608291  0.416879  1
  C  C80  1  0.652739  0.205133  0.455401  1
  C  C81  1  0.135663  0.596314  0.410842  1
  C  C82  1  0.196013  0.193298  0.449392  1
  C  C83  1  0.112329  0.738945  0.483620  1
  C  C84  1  0.172648  0.335828  0.522176  1
  C  C85  1  0.655579  0.727099  0.477592  1
  C  C86  1  0.715898  0.323983  0.516148  1
  C  C87  1  0.632214  0.869630  0.550377  1
  C  C88  1  0.692564  0.466614  0.588926  1
  C  C89  1  0.175488  0.857794  0.544367  1
  C  C90  1  0.235817  0.454636  0.582889  1
  C  C91  1  0.152193  0.000790  0.617151  1
  C  C92  1  0.212585  0.597971  0.655629  1
  C  C93  1  0.695442  0.988628  0.611153  1
  C  C94  1  0.756334  0.585716  0.649504  1
  C  C95  1  0.670275  0.130097  0.683881  1
  C  C96  1  0.736352  0.725851  0.722215  1
  C  C97  1  0.216671  0.123023  0.678208  1
  C  C98  1  0.277457  0.715869  0.716378  1
