# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57101640
_cell_length_b   11.87066940
_cell_length_c   48.56919539
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe90 C30'
_cell_volume   2635.41430163
_cell_formula_units_Z   30
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  0.500007  0.160876  0.350506  1
  Fe  Fe2  1  0.520382  0.876285  0.291154  1
  Fe  Fe3  1  0.514489  0.518603  0.321548  1
  Fe  Fe4  1  0.986588  0.335943  0.282432  1
  Fe  Fe5  1  1.002471  0.981234  0.312585  1
  Fe  Fe6  1  0.005753  0.625797  0.343400  1
  Fe  Fe7  1  0.006720  0.184245  0.322343  1
  Fe  Fe8  1  0.006964  0.827002  0.352542  1
  Fe  Fe9  1  0.021664  0.544848  0.291799  1
  Fe  Fe10  1  0.503585  0.450866  0.273789  1
  Fe  Fe11  1  0.502033  0.094972  0.303021  1
  Fe  Fe12  1  0.505533  0.736172  0.333133  1
  Fe  Fe13  1  0.491704  0.313478  0.311948  1
  Fe  Fe14  1  0.506526  0.959944  0.340923  1
  Fe  Fe15  1  0.482222  0.664875  0.282409  1
  Fe  Fe16  1  0.004341  0.405429  0.330016  1
  Fe  Fe17  1  0.004617  0.048465  0.360201  1
  Fe  Fe18  1  0.999185  0.766746  0.299292  1
  Fe  Fe19  1  0.502749  0.089239  0.441725  1
  Fe  Fe20  1  0.502466  0.803517  0.380956  1
  Fe  Fe21  1  0.502578  0.446287  0.411479  1
  Fe  Fe22  1  1.003540  0.267108  0.373590  1
  Fe  Fe23  1  1.001996  0.909565  0.403551  1
  Fe  Fe24  1  1.002728  0.552752  0.434034  1
  Fe  Fe25  1  0.003921  0.111771  0.413162  1
  Fe  Fe26  1  0.004915  0.754659  0.443510  1
  Fe  Fe27  1  1.003618  0.468653  0.383081  1
  Fe  Fe28  1  0.503181  0.379256  0.363972  1
  Fe  Fe29  1  0.504966  0.021984  0.394289  1
  Fe  Fe30  1  0.503205  0.664858  0.424654  1
  Fe  Fe31  1  0.503529  0.244466  0.402017  1
  Fe  Fe32  1  0.504724  0.887611  0.432173  1
  Fe  Fe33  1  0.505451  0.601899  0.371468  1
  Fe  Fe34  1  0.004263  0.334285  0.420939  1
  Fe  Fe35  1  0.004631  0.977179  0.451147  1
  Fe  Fe36  1  1.002517  0.691790  0.390658  1
  Fe  Fe37  1  0.502782  0.017799  0.532655  1
  Fe  Fe38  1  0.503158  0.732257  0.472046  1
  Fe  Fe39  1  0.502889  0.375045  0.502437  1
  Fe  Fe40  1  1.002782  0.195755  0.464455  1
  Fe  Fe41  1  1.002889  0.838509  0.494673  1
  Fe  Fe42  1  1.003158  0.481297  0.525064  1
  Fe  Fe43  1  0.003979  0.040389  0.504194  1
  Fe  Fe44  1  0.004352  0.683216  0.534504  1
  Fe  Fe45  1  0.004321  0.397222  0.473968  1
  Fe  Fe46  1  0.504213  0.307761  0.454907  1
  Fe  Fe47  1  0.504511  0.950662  0.485162  1
  Fe  Fe48  1  0.503818  0.593405  0.515553  1
  Fe  Fe49  1  0.503979  0.173165  0.492916  1
  Fe  Fe50  1  0.504321  0.816332  0.523142  1
  Fe  Fe51  1  0.504352  0.530338  0.462606  1
  Fe  Fe52  1  0.004511  0.262892  0.511948  1
  Fe  Fe53  1  0.004213  0.905793  0.542203  1
  Fe  Fe54  1  0.003818  0.620149  0.481556  1
  Fe  Fe55  1  0.503540  0.946446  0.623520  1
  Fe  Fe56  1  0.502728  0.660802  0.563075  1
  Fe  Fe57  1  0.501996  0.303989  0.593558  1
  Fe  Fe58  1  1.002749  0.124315  0.555385  1
  Fe  Fe59  1  1.002578  0.767267  0.585631  1
  Fe  Fe60  1  1.002466  0.410037  0.616154  1
  Fe  Fe61  1  1.003529  0.969088  0.595092  1
  Fe  Fe62  1  0.005451  0.611655  0.625642  1
  Fe  Fe63  1  0.004724  0.325943  0.564937  1
  Fe  Fe64  1  0.504631  0.236375  0.545963  1
  Fe  Fe65  1  0.504263  0.879269  0.576171  1
  Fe  Fe66  1  0.502517  0.521764  0.606452  1
  Fe  Fe67  1  0.503921  0.101783  0.583948  1
  Fe  Fe68  1  0.503618  0.744901  0.614028  1
  Fe  Fe69  1  0.504915  0.458895  0.553600  1
  Fe  Fe70  1  0.004966  0.191570  0.602820  1
  Fe  Fe71  1  1.003181  0.834298  0.633138  1
  Fe  Fe72  1  1.003205  0.548695  0.572456  1
  Fe  Fe73  1  0.486588  0.877611  0.714678  1
  Fe  Fe74  1  0.505753  0.587757  0.653709  1
  Fe  Fe75  1  0.502471  0.232320  0.684525  1
  Fe  Fe76  1  1.000007  0.052678  0.646604  1
  Fe  Fe77  1  0.014489  0.694951  0.675562  1
  Fe  Fe78  1  0.020382  0.337269  0.705955  1
  Fe  Fe79  1  0.991704  0.900076  0.685162  1
  Fe  Fe80  1  0.982222  0.548679  0.714701  1
  Fe  Fe81  1  0.006526  0.253610  0.656187  1
  Fe  Fe82  1  0.504617  0.165089  0.636909  1
  Fe  Fe83  1  0.504341  0.808125  0.667094  1
  Fe  Fe84  1  0.499185  0.446808  0.697818  1
  Fe  Fe85  1  0.506720  0.029309  0.674766  1
  Fe  Fe86  1  0.521664  0.668706  0.705310  1
  Fe  Fe87  1  0.506964  0.386551  0.644568  1
  Fe  Fe88  1  1.002033  0.118582  0.694089  1
  Fe  Fe89  1  1.003585  0.762688  0.723320  1
  Fe  Fe90  1  0.005533  0.477382  0.663977  1
  C  C91  1  0.753866  0.285170  0.342084  1
  C  C92  1  0.757045  0.003374  0.280926  1
  C  C93  1  0.761229  0.643020  0.311512  1
  C  C94  1  0.248201  0.213914  0.290788  1
  C  C95  1  0.255491  0.857270  0.321515  1
  C  C96  1  0.252409  0.499742  0.352124  1
  C  C97  1  0.753969  0.213831  0.432887  1
  C  C98  1  0.752805  0.928272  0.372027  1
  C  C99  1  0.752677  0.571119  0.402560  1
  C  C100  1  0.254318  0.142207  0.382275  1
  C  C101  1  0.254128  0.785438  0.412560  1
  C  C102  1  0.253442  0.428180  0.443024  1
  C  C103  1  0.753619  0.142535  0.523844  1
  C  C104  1  0.754123  0.856812  0.463108  1
  C  C105  1  0.753919  0.499619  0.493532  1
  C  C106  1  0.253619  0.071019  0.473266  1
  C  C107  1  0.253919  0.713935  0.503577  1
  C  C108  1  0.254123  0.356742  0.534002  1
  C  C109  1  0.754318  0.071346  0.614835  1
  C  C110  1  0.753442  0.785374  0.554085  1
  C  C111  1  0.754128  0.428116  0.584550  1
  C  C112  1  0.253969  -0.000277  0.564223  1
  C  C113  1  0.252677  0.642435  0.594550  1
  C  C114  1  0.252805  0.285281  0.625083  1
  C  C115  1  0.748201  -0.000360  0.706322  1
  C  C116  1  0.752409  0.713812  0.644986  1
  C  C117  1  0.755491  0.356284  0.675594  1
  C  C118  1  0.253866  0.928384  0.655026  1
  C  C119  1  0.261229  0.570534  0.685597  1
  C  C120  1  0.257045  0.210179  0.716184  1
