# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51952028
_cell_length_b   14.48443865
_cell_length_c   48.68798615
_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   'Fe60 C30'
_cell_volume   1776.81142877
_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  1.000186  0.448051  0.287483  1
  Fe  Fe2  1  1.000186  0.849329  0.347870  1
  Fe  Fe3  1  1.000186  0.146859  0.316845  1
  Fe  Fe4  1  1.000186  0.583581  0.319302  1
  Fe  Fe5  1  1.000186  0.882270  0.289087  1
  Fe  Fe6  1  1.000186  0.283835  0.349440  1
  Fe  Fe7  1  0.500186  0.694361  0.358726  1
  Fe  Fe8  1  0.500186  0.993130  0.328008  1
  Fe  Fe9  1  0.500186  0.289744  0.298568  1
  Fe  Fe10  1  0.500186  0.437825  0.338691  1
  Fe  Fe11  1  0.500186  0.735825  0.308868  1
  Fe  Fe12  1  0.500186  0.033383  0.278430  1
  Fe  Fe13  1  1.000186  0.550211  0.378077  1
  Fe  Fe14  1  1.000186  0.953259  0.438388  1
  Fe  Fe15  1  1.000186  0.251801  0.408278  1
  Fe  Fe16  1  0.000186  0.686438  0.410138  1
  Fe  Fe17  1  0.000186  0.985877  0.379573  1
  Fe  Fe18  1  0.000186  0.388222  0.440563  1
  Fe  Fe19  1  0.500186  0.799234  0.449325  1
  Fe  Fe20  1  0.500186  0.097764  0.419114  1
  Fe  Fe21  1  0.500186  0.395976  0.388956  1
  Fe  Fe22  1  0.500186  0.542355  0.429657  1
  Fe  Fe23  1  0.500186  0.841000  0.399339  1
  Fe  Fe24  1  0.500186  0.139655  0.368661  1
  Fe  Fe25  1  0.000186  0.655090  0.469005  1
  Fe  Fe26  1  0.000186  0.057711  0.529575  1
  Fe  Fe27  1  0.000186  0.355974  0.499393  1
  Fe  Fe28  1  0.000186  0.791456  0.500920  1
  Fe  Fe29  1  0.000186  0.089719  0.470737  1
  Fe  Fe30  1  0.000186  0.492341  0.531308  1
  Fe  Fe31  1  0.500186  0.903570  0.540411  1
  Fe  Fe32  1  0.500186  0.201919  0.510255  1
  Fe  Fe33  1  0.500186  0.500516  0.479811  1
  Fe  Fe34  1  0.500186  0.646914  0.520502  1
  Fe  Fe35  1  0.500186  0.945511  0.490057  1
  Fe  Fe36  1  0.500186  0.243860  0.459902  1
  Fe  Fe37  1  0.000186  0.759208  0.559750  1
  Fe  Fe38  1  0.000186  0.161553  0.620740  1
  Fe  Fe39  1  0.000186  0.460992  0.590175  1
  Fe  Fe40  1  1.000186  0.895629  0.592035  1
  Fe  Fe41  1  0.000186  0.194171  0.561924  1
  Fe  Fe42  1  1.000186  0.597219  0.622235  1
  Fe  Fe43  1  0.500186  0.007776  0.631652  1
  Fe  Fe44  1  0.500186  0.306430  0.600974  1
  Fe  Fe45  1  0.500186  0.605076  0.570655  1
  Fe  Fe46  1  0.500186  0.751455  0.611357  1
  Fe  Fe47  1  0.500186  0.049667  0.581199  1
  Fe  Fe48  1  0.500186  0.348197  0.550988  1
  Fe  Fe49  1  1.000186  0.863595  0.650873  1
  Fe  Fe50  1  1.000186  0.265160  0.711226  1
  Fe  Fe51  1  1.000186  0.563849  0.681011  1
  Fe  Fe52  1  1.000186  0.000571  0.683468  1
  Fe  Fe53  1  1.000186  0.298102  0.652443  1
  Fe  Fe54  1  1.000186  0.699379  0.712830  1
  Fe  Fe55  1  0.500186  0.114048  0.721882  1
  Fe  Fe56  1  0.500186  0.411605  0.691445  1
  Fe  Fe57  1  0.500186  0.709605  0.661622  1
  Fe  Fe58  1  0.500186  0.857687  0.701745  1
  Fe  Fe59  1  0.500186  0.154301  0.672305  1
  Fe  Fe60  1  0.500186  0.453069  0.641587  1
  C  C61  1  0.000186  0.364989  0.318236  1
  C  C62  1  0.000186  0.664324  0.287982  1
  C  C63  1  0.000186  0.066612  0.348264  1
  C  C64  1  0.500186  0.566134  0.348653  1
  C  C65  1  0.500186  0.864488  0.318415  1
  C  C66  1  0.500186  0.162534  0.287397  1
  C  C67  1  1.000186  0.469162  0.409308  1
  C  C68  1  0.000186  0.767821  0.378989  1
  C  C69  1  1.000186  0.170790  0.439515  1
  C  C70  1  0.500186  0.670726  0.439570  1
  C  C71  1  0.500186  0.969593  0.408982  1
  C  C72  1  0.500186  0.267771  0.378857  1
  C  C73  1  1.000186  0.573715  0.500156  1
  C  C74  1  1.000186  0.872433  0.469672  1
  C  C75  1  1.000186  0.274997  0.530641  1
  C  C76  1  0.500186  0.775346  0.530336  1
  C  C77  1  0.500186  0.073715  0.500156  1
  C  C78  1  0.500186  0.372084  0.469977  1
  C  C79  1  1.000186  0.678268  0.591005  1
  C  C80  1  1.000186  0.976641  0.560798  1
  C  C81  1  1.000186  0.379609  0.621324  1
  C  C82  1  0.500186  0.879660  0.621456  1
  C  C83  1  0.500186  0.177837  0.591331  1
  C  C84  1  0.500186  0.476704  0.560743  1
  C  C85  1  0.000186  0.782441  0.682077  1
  C  C86  1  0.000186  0.080818  0.652049  1
  C  C87  1  0.000186  0.483106  0.712331  1
  C  C88  1  0.500186  0.984897  0.712916  1
  C  C89  1  0.500186  0.282943  0.681898  1
  C  C90  1  0.500186  0.581296  0.651659  1
