# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66653641
_cell_length_b   8.83757618
_cell_length_c   50.89881970
_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   2099.1116583
_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  0.273095  0.124228  0.322981  1
  Fe  Fe2  1  0.261759  0.372683  0.297738  1
  Fe  Fe3  1  0.281752  0.877401  0.348329  1
  Fe  Fe4  1  0.727625  0.042322  0.300404  1
  Fe  Fe5  1  0.731638  0.295047  0.274484  1
  Fe  Fe6  1  0.728220  0.798480  0.325105  1
  Fe  Fe7  1  0.220762  0.377401  0.348329  1
  Fe  Fe8  1  0.229419  0.624228  0.322981  1
  Fe  Fe9  1  0.240755  0.872683  0.297738  1
  Fe  Fe10  1  0.774294  0.298480  0.325105  1
  Fe  Fe11  1  0.774889  0.542322  0.300404  1
  Fe  Fe12  1  0.770876  0.795047  0.274484  1
  Fe  Fe13  1  0.274843  0.392157  0.399743  1
  Fe  Fe14  1  0.272695  0.636148  0.374263  1
  Fe  Fe15  1  0.276679  0.147187  0.425385  1
  Fe  Fe16  1  0.726193  0.311221  0.376989  1
  Fe  Fe17  1  0.726328  0.556775  0.351210  1
  Fe  Fe18  1  0.727332  0.067729  0.402500  1
  Fe  Fe19  1  0.225835  0.647187  0.425385  1
  Fe  Fe20  1  0.227671  0.892157  0.399743  1
  Fe  Fe21  1  0.229819  0.136148  0.374263  1
  Fe  Fe22  1  0.775182  0.567729  0.402500  1
  Fe  Fe23  1  0.776321  0.811221  0.376989  1
  Fe  Fe24  1  0.776186  0.056775  0.351210  1
  Fe  Fe25  1  0.275496  0.659664  0.476710  1
  Fe  Fe26  1  0.275637  0.903510  0.451088  1
  Fe  Fe27  1  0.275644  0.415624  0.502346  1
  Fe  Fe28  1  0.726821  0.579656  0.453786  1
  Fe  Fe29  1  0.726931  0.823781  0.428134  1
  Fe  Fe30  1  0.726859  0.335737  0.479439  1
  Fe  Fe31  1  0.226870  0.915624  0.502346  1
  Fe  Fe32  1  0.227018  0.159664  0.476710  1
  Fe  Fe33  1  0.226877  0.403510  0.451088  1
  Fe  Fe34  1  0.775655  0.835737  0.479439  1
  Fe  Fe35  1  0.775693  0.079656  0.453786  1
  Fe  Fe36  1  0.775583  0.323781  0.428134  1
  Fe  Fe37  1  0.275724  0.927632  0.553626  1
  Fe  Fe38  1  0.275594  0.171711  0.528008  1
  Fe  Fe39  1  0.275711  0.683652  0.579281  1
  Fe  Fe40  1  0.726983  0.847764  0.530721  1
  Fe  Fe41  1  0.726737  0.091833  0.505100  1
  Fe  Fe42  1  0.726916  0.603790  0.556365  1
  Fe  Fe43  1  0.226803  0.183652  0.579281  1
  Fe  Fe44  1  0.226790  0.427632  0.553626  1
  Fe  Fe45  1  0.226920  0.671711  0.528008  1
  Fe  Fe46  1  0.775598  0.103790  0.556365  1
  Fe  Fe47  1  0.775531  0.347764  0.530721  1
  Fe  Fe48  1  0.775777  0.591833  0.505100  1
  Fe  Fe49  1  0.276138  0.196066  0.630538  1
  Fe  Fe50  1  0.275450  0.439773  0.604955  1
  Fe  Fe51  1  0.274888  0.950693  0.656243  1
  Fe  Fe52  1  0.727457  0.115540  0.607637  1
  Fe  Fe53  1  0.726555  0.359974  0.582039  1
  Fe  Fe54  1  0.727170  0.872265  0.633239  1
  Fe  Fe55  1  0.227626  0.450693  0.656243  1
  Fe  Fe56  1  0.226376  0.696066  0.630538  1
  Fe  Fe57  1  0.227064  0.939773  0.604955  1
  Fe  Fe58  1  0.775344  0.372265  0.633239  1
  Fe  Fe59  1  0.775057  0.615540  0.607637  1
  Fe  Fe60  1  0.775959  0.859974  0.582039  1
  Fe  Fe61  1  0.275081  0.464076  0.707380  1
  Fe  Fe62  1  0.275058  0.709434  0.681996  1
  Fe  Fe63  1  0.264473  0.205677  0.733254  1
  Fe  Fe64  1  0.734141  0.381826  0.684334  1
  Fe  Fe65  1  0.722922  0.628441  0.659180  1
  Fe  Fe66  1  0.737158  0.135165  0.709833  1
  Fe  Fe67  1  0.238041  0.705677  0.733254  1
  Fe  Fe68  1  0.227433  0.964076  0.707380  1
  Fe  Fe69  1  0.227456  0.209434  0.681996  1
  Fe  Fe70  1  0.765356  0.635165  0.709833  1
  Fe  Fe71  1  0.768373  0.881826  0.684334  1
  Fe  Fe72  1  0.779592  0.128441  0.659180  1
  C  C73  1  0.500305  0.958635  0.272491  1
  C  C74  1  0.499311  0.460294  0.324558  1
  C  C75  1  0.500931  0.704181  0.298223  1
  C  C76  1  0.001583  0.204181  0.298223  1
  C  C77  1  0.002209  0.458635  0.272491  1
  C  C78  1  0.003203  0.960294  0.324558  1
  C  C79  1  0.501535  0.218563  0.349764  1
  C  C80  1  0.500626  0.729584  0.401183  1
  C  C81  1  0.502706  0.973449  0.375444  1
  C  C82  1  0.999807  0.473449  0.375444  1
  C  C83  1  1.000979  0.718563  0.349764  1
  C  C84  1  0.001888  0.229584  0.401183  1
  C  C85  1  0.500955  0.485612  0.426787  1
  C  C86  1  0.501348  0.997706  0.478079  1
  C  C87  1  0.501389  0.241630  0.452420  1
  C  C88  1  1.001125  0.741630  0.452420  1
  C  C89  1  0.001559  0.985612  0.426787  1
  C  C90  1  1.001166  0.497706  0.478079  1
  C  C91  1  0.501252  0.753692  0.503717  1
  C  C92  1  0.501284  0.265760  0.555018  1
  C  C93  1  0.501221  0.509733  0.529357  1
  C  C94  1  0.001293  0.009733  0.529357  1
  C  C95  1  0.001262  0.253692  0.503717  1
  C  C96  1  1.001230  0.765760  0.555018  1
  C  C97  1  0.501211  0.021731  0.580643  1
  C  C98  1  0.500628  0.534081  0.631973  1
  C  C99  1  0.501356  0.777788  0.606283  1
  C  C100  1  1.001158  0.277788  0.606283  1
  C  C101  1  0.001303  0.521731  0.580643  1
  C  C102  1  0.001886  0.034081  0.631973  1
  C  C103  1  0.502819  0.289148  0.657582  1
  C  C104  1  0.499795  0.801312  0.709310  1
  C  C105  1  0.500471  0.046767  0.683035  1
  C  C106  1  0.002042  0.546767  0.683035  1
  C  C107  1  0.999695  0.789148  0.657582  1
  C  C108  1  0.002719  0.301312  0.709310  1
