# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56929094
_cell_length_b   9.68395177
_cell_length_c   48.69077423
_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   2154.50799572
_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  0.347808  0.972263  0.290842  1
  Fe  Fe2  1  0.351736  0.435168  0.315953  1
  Fe  Fe3  1  0.645748  0.760556  0.280195  1
  Fe  Fe4  1  0.650730  0.223948  0.304339  1
  Fe  Fe5  1  0.850916  0.957600  0.317046  1
  Fe  Fe6  1  0.849470  0.491190  0.292215  1
  Fe  Fe7  1  0.149815  0.704406  0.303216  1
  Fe  Fe8  1  0.173266  0.242125  0.278756  1
  Fe  Fe9  1  0.351654  0.901682  0.340845  1
  Fe  Fe10  1  0.350434  0.368440  0.365894  1
  Fe  Fe11  1  0.651004  0.690186  0.329293  1
  Fe  Fe12  1  0.648349  0.157622  0.354659  1
  Fe  Fe13  1  0.850913  0.890395  0.367046  1
  Fe  Fe14  1  0.850351  0.424002  0.341971  1
  Fe  Fe15  1  0.148306  0.634555  0.353401  1
  Fe  Fe16  1  0.149239  0.168510  0.328539  1
  Fe  Fe17  1  0.350789  0.834256  0.390905  1
  Fe  Fe18  1  0.350829  0.300472  0.415900  1
  Fe  Fe19  1  0.648711  0.623559  0.379581  1
  Fe  Fe20  1  0.649200  0.089472  0.404532  1
  Fe  Fe21  1  0.850887  0.822645  0.417051  1
  Fe  Fe22  1  0.851086  0.356734  0.392135  1
  Fe  Fe23  1  0.148945  0.567452  0.403402  1
  Fe  Fe24  1  0.149220  0.101384  0.378388  1
  Fe  Fe25  1  0.350787  0.766634  0.440900  1
  Fe  Fe26  1  0.350808  0.232728  0.465903  1
  Fe  Fe27  1  0.648886  0.555786  0.429587  1
  Fe  Fe28  1  0.648884  0.021914  0.454577  1
  Fe  Fe29  1  0.850878  0.755003  0.467088  1
  Fe  Fe30  1  0.850686  0.288806  0.442071  1
  Fe  Fe31  1  0.148839  0.499672  0.453405  1
  Fe  Fe32  1  0.149065  0.033509  0.428399  1
  Fe  Fe33  1  0.350843  0.698915  0.490916  1
  Fe  Fe34  1  0.350824  0.165039  0.515903  1
  Fe  Fe35  1  0.648993  0.488055  0.479579  1
  Fe  Fe36  1  0.648947  0.954180  0.504584  1
  Fe  Fe37  1  0.850806  0.687287  0.517086  1
  Fe  Fe38  1  0.850796  0.221099  0.492073  1
  Fe  Fe39  1  0.148965  0.431973  0.503412  1
  Fe  Fe40  1  0.148965  0.965839  0.478404  1
  Fe  Fe41  1  0.350749  0.631216  0.540924  1
  Fe  Fe42  1  0.351008  0.097320  0.565907  1
  Fe  Fe43  1  0.648893  0.420373  0.529577  1
  Fe  Fe44  1  0.649132  0.886448  0.554595  1
  Fe  Fe45  1  0.850876  0.619593  0.567089  1
  Fe  Fe46  1  0.850805  0.153407  0.542084  1
  Fe  Fe47  1  0.148838  0.364207  0.553396  1
  Fe  Fe48  1  0.148944  0.898140  0.528418  1
  Fe  Fe49  1  0.350145  0.563681  0.590951  1
  Fe  Fe50  1  0.351423  0.029603  0.615950  1
  Fe  Fe51  1  0.648434  0.352744  0.579590  1
  Fe  Fe52  1  0.649570  0.818788  0.604577  1
  Fe  Fe53  1  0.850719  0.551734  0.617082  1
  Fe  Fe54  1  0.850820  0.085822  0.592088  1
  Fe  Fe55  1  0.149031  0.296685  0.603455  1
  Fe  Fe56  1  0.149060  0.830472  0.578430  1
  Fe  Fe57  1  0.351134  0.495145  0.640658  1
  Fe  Fe58  1  0.349918  0.962495  0.666251  1
  Fe  Fe59  1  0.648269  0.284677  0.629648  1
  Fe  Fe60  1  0.648327  0.751986  0.654548  1
  Fe  Fe61  1  0.849254  0.483774  0.667131  1
  Fe  Fe62  1  0.851696  0.018171  0.642128  1
  Fe  Fe63  1  0.149618  0.228879  0.653422  1
  Fe  Fe64  1  0.148816  0.762663  0.628366  1
  Fe  Fe65  1  0.352270  0.428442  0.690815  1
  Fe  Fe66  1  0.352084  0.892714  0.715388  1
  Fe  Fe67  1  0.650640  0.217090  0.679595  1
  Fe  Fe68  1  0.650378  0.681089  0.704459  1
  Fe  Fe69  1  0.845359  0.417910  0.716659  1
  Fe  Fe70  1  0.850873  0.948689  0.692231  1
  Fe  Fe71  1  0.150778  0.161326  0.703400  1
  Fe  Fe72  1  0.148436  0.695240  0.678583  1
  C  C73  1  0.999012  0.865425  0.284974  1
  C  C74  1  0.000783  0.329760  0.310239  1
  C  C75  1  0.497905  0.596674  0.297579  1
  C  C76  1  0.500707  0.063519  0.322801  1
  C  C77  1  0.000474  0.796340  0.335257  1
  C  C78  1  0.999531  0.262921  0.360275  1
  C  C79  1  0.500071  0.529806  0.347720  1
  C  C80  1  0.499773  0.995676  0.372706  1
  C  C81  1  0.999869  0.728864  0.385206  1
  C  C82  1  0.999929  0.195008  0.410239  1
  C  C83  1  0.499864  0.462009  0.397744  1
  C  C84  1  0.500013  0.928095  0.422732  1
  C  C85  1  0.999844  0.661202  0.435245  1
  C  C86  1  0.999866  0.127315  0.460232  1
  C  C87  1  0.499804  0.394263  0.447744  1
  C  C88  1  0.499886  0.860399  0.472742  1
  C  C89  1  0.999917  0.593484  0.485249  1
  C  C90  1  0.999874  0.059617  0.510244  1
  C  C91  1  0.499886  0.326545  0.497739  1
  C  C92  1  0.499873  0.792704  0.522757  1
  C  C93  1  0.999850  0.525775  0.535249  1
  C  C94  1  0.999967  0.991953  0.560259  1
  C  C95  1  0.499884  0.258855  0.547741  1
  C  C96  1  0.499909  0.724982  0.572763  1
  C  C97  1  0.999658  0.457974  0.585233  1
  C  C98  1  0.000218  0.924418  0.610262  1
  C  C99  1  0.499773  0.191159  0.597753  1
  C  C100  1  0.500117  0.657416  0.622762  1
  C  C101  1  0.999086  0.390199  0.635292  1
  C  C102  1  0.000443  0.856453  0.660234  1
  C  C103  1  0.500173  0.123061  0.647841  1
  C  C104  1  0.498616  0.589890  0.672440  1
  C  C105  1  0.001272  0.322817  0.685271  1
  C  C106  1  0.999236  0.787529  0.710595  1
  C  C107  1  0.502478  0.056032  0.697984  1
  C  C108  1  0.493844  0.522127  0.722979  1
