# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56815436
_cell_length_b   8.89108507
_cell_length_c   51.69820681
_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   2099.76656416
_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  0.319736  0.660170  0.275581  1
  Fe  Fe2  1  0.346046  0.410226  0.299645  1
  Fe  Fe3  1  0.351942  0.169843  0.325158  1
  Fe  Fe4  1  0.648838  0.802418  0.315846  1
  Fe  Fe5  1  0.648881  0.562474  0.341788  1
  Fe  Fe6  1  0.648572  0.047863  0.290285  1
  Fe  Fe7  1  0.851771  0.547863  0.290285  1
  Fe  Fe8  1  0.851505  0.302418  0.315846  1
  Fe  Fe9  1  0.851462  0.062474  0.341788  1
  Fe  Fe10  1  0.148401  0.669843  0.325158  1
  Fe  Fe11  1  0.180607  0.160170  0.275581  1
  Fe  Fe12  1  0.154297  0.910226  0.299645  1
  Fe  Fe13  1  0.349056  0.928463  0.350873  1
  Fe  Fe14  1  0.351507  0.687576  0.376479  1
  Fe  Fe15  1  0.350907  0.446489  0.402154  1
  Fe  Fe16  1  0.649330  0.080277  0.392968  1
  Fe  Fe17  1  0.649515  0.839135  0.418589  1
  Fe  Fe18  1  0.649977  0.320786  0.367231  1
  Fe  Fe19  1  0.850366  0.820786  0.367231  1
  Fe  Fe20  1  0.851013  0.580277  0.392968  1
  Fe  Fe21  1  0.850828  0.339135  0.418589  1
  Fe  Fe22  1  0.149436  0.946489  0.402154  1
  Fe  Fe23  1  0.151287  0.428463  0.350873  1
  Fe  Fe24  1  0.148836  0.187576  0.376479  1
  Fe  Fe25  1  0.350948  0.205570  0.427816  1
  Fe  Fe26  1  0.350793  0.964572  0.453481  1
  Fe  Fe27  1  0.350877  0.723597  0.479143  1
  Fe  Fe28  1  0.649474  0.357173  0.469935  1
  Fe  Fe29  1  0.649453  0.116216  0.495597  1
  Fe  Fe30  1  0.649415  0.598194  0.444280  1
  Fe  Fe31  1  0.850928  0.098194  0.444280  1
  Fe  Fe32  1  0.850869  0.857173  0.469935  1
  Fe  Fe33  1  0.850890  0.616216  0.495597  1
  Fe  Fe34  1  0.149466  0.223597  0.479143  1
  Fe  Fe35  1  0.149395  0.705570  0.427816  1
  Fe  Fe36  1  0.149550  0.464572  0.453481  1
  Fe  Fe37  1  0.350890  0.482607  0.504803  1
  Fe  Fe38  1  0.350869  0.241651  0.530465  1
  Fe  Fe39  1  0.350928  0.000629  0.556120  1
  Fe  Fe40  1  0.649550  0.634251  0.546919  1
  Fe  Fe41  1  0.649395  0.393254  0.572584  1
  Fe  Fe42  1  0.649466  0.875226  0.521257  1
  Fe  Fe43  1  0.850877  0.375226  0.521257  1
  Fe  Fe44  1  0.850793  0.134251  0.546919  1
  Fe  Fe45  1  0.850948  0.893254  0.572584  1
  Fe  Fe46  1  0.149415  0.500629  0.556120  1
  Fe  Fe47  1  0.149453  0.982607  0.504803  1
  Fe  Fe48  1  0.149474  0.741651  0.530465  1
  Fe  Fe49  1  0.350828  0.759688  0.581811  1
  Fe  Fe50  1  0.351013  0.518547  0.607432  1
  Fe  Fe51  1  0.350366  0.278037  0.633169  1
  Fe  Fe52  1  0.648836  0.911248  0.623921  1
  Fe  Fe53  1  0.651287  0.670361  0.649528  1
  Fe  Fe54  1  0.649436  0.152335  0.598246  1
  Fe  Fe55  1  0.850907  0.652335  0.598246  1
  Fe  Fe56  1  0.851507  0.411248  0.623921  1
  Fe  Fe57  1  0.849056  0.170361  0.649528  1
  Fe  Fe58  1  0.149977  0.778037  0.633169  1
  Fe  Fe59  1  0.149515  0.259688  0.581811  1
  Fe  Fe60  1  0.149330  0.018547  0.607432  1
  Fe  Fe61  1  0.351462  0.036349  0.658612  1
  Fe  Fe62  1  0.351505  0.796406  0.684554  1
  Fe  Fe63  1  0.351771  0.550960  0.710116  1
  Fe  Fe64  1  0.654297  0.188597  0.700755  1
  Fe  Fe65  1  0.680607  0.938654  0.724819  1
  Fe  Fe66  1  0.648401  0.428981  0.675242  1
  Fe  Fe67  1  0.851942  0.928981  0.675242  1
  Fe  Fe68  1  0.846046  0.688597  0.700755  1
  Fe  Fe69  1  0.819736  0.438654  0.724819  1
  Fe  Fe70  1  0.148572  0.050960  0.710116  1
  Fe  Fe71  1  0.148881  0.536349  0.658612  1
  Fe  Fe72  1  0.148838  0.296406  0.684554  1
  C  C73  1  0.998671  0.866112  0.333332  1
  C  C74  1  0.995066  0.350617  0.281896  1
  C  C75  1  0.001281  0.105804  0.307873  1
  C  C76  1  0.499062  0.605804  0.307873  1
  C  C77  1  0.501672  0.366112  0.333332  1
  C  C78  1  0.505277  0.850617  0.281896  1
  C  C79  1  0.000235  0.142810  0.410389  1
  C  C80  1  0.000796  0.624583  0.359082  1
  C  C81  1  1.000131  0.383986  0.384706  1
  C  C82  1  0.500212  0.883986  0.384706  1
  C  C83  1  0.500108  0.642810  0.410389  1
  C  C84  1  0.499547  0.124583  0.359082  1
  C  C85  1  0.000174  0.419909  0.487368  1
  C  C86  1  1.000088  0.901872  0.436044  1
  C  C87  1  0.000188  0.660870  0.461707  1
  C  C88  1  0.500155  0.160870  0.461707  1
  C  C89  1  0.500169  0.919909  0.487368  1
  C  C90  1  0.500255  0.401872  0.436044  1
  C  C91  1  0.000255  0.696951  0.564356  1
  C  C92  1  1.000169  0.178915  0.513032  1
  C  C93  1  1.000155  0.937954  0.538693  1
  C  C94  1  0.500188  0.437954  0.538693  1
  C  C95  1  0.500088  0.196951  0.564356  1
  C  C96  1  0.500174  0.678915  0.513032  1
  C  C97  1  0.999547  0.974240  0.641318  1
  C  C98  1  1.000108  0.456013  0.590011  1
  C  C99  1  0.000212  0.214837  0.615694  1
  C  C100  1  0.500131  0.714837  0.615694  1
  C  C101  1  0.500796  0.474240  0.641318  1
  C  C102  1  0.500235  0.956013  0.590011  1
  C  C103  1  0.005277  0.248207  0.718504  1
  C  C104  1  0.001672  0.732712  0.667068  1
  C  C105  1  0.999062  0.493019  0.692527  1
  C  C106  1  0.501281  0.993019  0.692527  1
  C  C107  1  0.495066  0.748207  0.718504  1
  C  C108  1  0.498671  0.232712  0.667068  1
