# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52142248
_cell_length_b   16.74565158
_cell_length_c   49.75437974
_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   'Fe72 C36'
_cell_volume   2100.77232694
_cell_formula_units_Z   36
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  -0.000191  0.443885  0.335491  1
  Fe  Fe2  1  -0.000191  0.203377  0.284318  1
  Fe  Fe3  1  -0.000191  0.825706  0.309719  1
  Fe  Fe4  1  -0.000191  0.593427  0.335568  1
  Fe  Fe5  1  -0.000191  0.359340  0.284621  1
  Fe  Fe6  1  -0.000191  0.976907  0.310271  1
  Fe  Fe7  1  0.499809  0.507040  0.295360  1
  Fe  Fe8  1  0.499809  0.123059  0.320921  1
  Fe  Fe9  1  0.499809  0.739661  0.345683  1
  Fe  Fe10  1  0.499809  0.679675  0.299956  1
  Fe  Fe11  1  0.499809  0.295720  0.325408  1
  Fe  Fe12  1  0.499809  0.062326  0.274785  1
  Fe  Fe13  1  0.999809  0.293718  0.412535  1
  Fe  Fe14  1  -0.000191  0.060160  0.361377  1
  Fe  Fe15  1  -0.000191  0.676439  0.386735  1
  Fe  Fe16  1  0.999809  0.443896  0.412708  1
  Fe  Fe17  1  0.999809  0.210111  0.361481  1
  Fe  Fe18  1  -0.000191  0.827063  0.386942  1
  Fe  Fe19  1  0.499809  0.357067  0.371662  1
  Fe  Fe20  1  0.499809  0.974161  0.397562  1
  Fe  Fe21  1  0.499809  0.590758  0.422804  1
  Fe  Fe22  1  0.499809  0.529607  0.376730  1
  Fe  Fe23  1  0.499809  0.146741  0.402506  1
  Fe  Fe24  1  0.499809  0.912063  0.351215  1
  Fe  Fe25  1  0.999809  0.144818  0.489592  1
  Fe  Fe26  1  -0.000191  0.910157  0.438096  1
  Fe  Fe27  1  0.999809  0.527474  0.463767  1
  Fe  Fe28  1  0.999809  0.294990  0.489753  1
  Fe  Fe29  1  0.999809  0.060978  0.438587  1
  Fe  Fe30  1  0.999809  0.677818  0.463951  1
  Fe  Fe31  1  0.499809  0.207965  0.448622  1
  Fe  Fe32  1  0.499809  0.824848  0.474151  1
  Fe  Fe33  1  0.499809  0.441892  0.499832  1
  Fe  Fe34  1  0.499809  0.380507  0.453704  1
  Fe  Fe35  1  0.499809  0.997385  0.479271  1
  Fe  Fe36  1  0.499809  0.763275  0.427961  1
  Fe  Fe37  1  0.999809  0.995339  0.566394  1
  Fe  Fe38  1  0.999809  0.761361  0.515017  1
  Fe  Fe39  1  0.999809  0.378534  0.540820  1
  Fe  Fe40  1  0.999809  0.146043  0.566806  1
  Fe  Fe41  1  0.999809  0.911896  0.515311  1
  Fe  Fe42  1  0.999809  0.528851  0.540982  1
  Fe  Fe43  1  0.499809  0.059078  0.525636  1
  Fe  Fe44  1  0.499809  0.675832  0.551066  1
  Fe  Fe45  1  0.499809  0.293096  0.576846  1
  Fe  Fe46  1  0.499809  0.231622  0.530716  1
  Fe  Fe47  1  0.499809  0.848366  0.556179  1
  Fe  Fe48  1  0.499809  0.614431  0.504922  1
  Fe  Fe49  1  -0.000191  0.846126  0.643293  1
  Fe  Fe50  1  0.999809  0.612431  0.592041  1
  Fe  Fe51  1  0.999809  0.229626  0.617865  1
  Fe  Fe52  1  -0.000191  0.996669  0.643609  1
  Fe  Fe53  1  -0.000191  0.762566  0.592232  1
  Fe  Fe54  1  -0.000191  0.380137  0.618037  1
  Fe  Fe55  1  0.499809  0.909809  0.602430  1
  Fe  Fe56  1  0.499809  0.526688  0.628034  1
  Fe  Fe57  1  0.499809  0.144541  0.653666  1
  Fe  Fe58  1  0.499809  0.082389  0.607389  1
  Fe  Fe59  1  0.499809  0.699234  0.633082  1
  Fe  Fe60  1  0.499809  0.465617  0.581993  1
  Fe  Fe61  1  -0.000191  0.696691  0.720180  1
  Fe  Fe62  1  -0.000191  0.462979  0.669236  1
  Fe  Fe63  1  -0.000191  0.079545  0.694788  1
  Fe  Fe64  1  -0.000191  0.850548  0.720486  1
  Fe  Fe65  1  -0.000191  0.612432  0.669257  1
  Fe  Fe66  1  -0.000191  0.233055  0.695073  1
  Fe  Fe67  1  0.499809  0.760361  0.679267  1
  Fe  Fe68  1  0.499809  0.376929  0.704884  1
  Fe  Fe69  1  0.499809  0.986791  0.729496  1
  Fe  Fe70  1  0.499809  0.933044  0.683539  1
  Fe  Fe71  1  0.499809  0.549521  0.709691  1
  Fe  Fe72  1  0.499809  0.316912  0.659293  1
  C  C73  1  0.999809  0.593517  0.296953  1
  C  C74  1  0.999809  0.209457  0.322872  1
  C  C75  1  0.999809  0.976181  0.271657  1
  C  C76  1  0.499809  0.784298  0.284109  1
  C  C77  1  0.499809  0.401088  0.310154  1
  C  C78  1  0.499809  0.017492  0.336017  1
  C  C79  1  0.999809  0.443365  0.374098  1
  C  C80  1  -0.000191  0.060465  0.399982  1
  C  C81  1  0.999809  0.825900  0.348330  1
  C  C82  1  0.499809  0.634632  0.361208  1
  C  C83  1  0.499809  0.251827  0.387024  1
  C  C84  1  0.499809  0.868445  0.412551  1
  C  C85  1  -0.000191  0.294242  0.451144  1
  C  C86  1  -0.000191  0.911117  0.476704  1
  C  C87  1  -0.000191  0.677029  0.425342  1
  C  C88  1  0.499809  0.485625  0.438249  1
  C  C89  1  0.499809  0.102867  0.464095  1
  C  C90  1  0.499809  0.719574  0.489487  1
  C  C91  1  -0.000191  0.145345  0.528199  1
  C  C92  1  -0.000191  0.762098  0.553624  1
  C  C93  1  -0.000191  0.528162  0.502375  1
  C  C94  1  0.499809  0.336771  0.515284  1
  C  C95  1  0.499809  0.953645  0.540848  1
  C  C96  1  0.499809  0.570690  0.566502  1
  C  C97  1  0.999809  0.996075  0.605002  1
  C  C98  1  0.999809  0.612934  0.630650  1
  C  C99  1  -0.000191  0.379353  0.579428  1
  C  C100  1  0.499809  0.187987  0.592306  1
  C  C101  1  0.499809  0.804494  0.617735  1
  C  C102  1  0.499809  0.421726  0.643604  1
  C  C103  1  0.999809  0.846594  0.681901  1
  C  C104  1  0.999809  0.463092  0.707852  1
  C  C105  1  0.999809  0.230720  0.656475  1
  C  C106  1  0.499809  0.039273  0.668984  1
  C  C107  1  0.499809  0.655117  0.694614  1
  C  C108  1  0.499809  0.272674  0.721001  1
