# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52158922
_cell_length_b   14.74174586
_cell_length_c   47.80218576
_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   1776.93284082
_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  0.999776  0.123570  0.280030  1
  Fe  Fe2  1  -0.000224  0.735492  0.339815  1
  Fe  Fe3  1  0.999776  0.430323  0.309780  1
  Fe  Fe4  1  0.999776  0.200419  0.356773  1
  Fe  Fe5  1  0.999776  0.899487  0.326392  1
  Fe  Fe6  1  0.999776  0.598540  0.296270  1
  Fe  Fe7  1  0.499776  0.069738  0.323939  1
  Fe  Fe8  1  0.499776  0.770043  0.293922  1
  Fe  Fe9  1  0.499776  0.369974  0.353235  1
  Fe  Fe10  1  0.499776  0.262875  0.312419  1
  Fe  Fe11  1  0.499776  0.963429  0.282861  1
  Fe  Fe12  1  0.499776  0.563945  0.343103  1
  Fe  Fe13  1  0.999776  0.035514  0.370222  1
  Fe  Fe14  1  0.999776  0.637515  0.430865  1
  Fe  Fe15  1  0.999776  0.336626  0.400548  1
  Fe  Fe16  1  0.999776  0.103998  0.447766  1
  Fe  Fe17  1  0.999776  0.802966  0.417443  1
  Fe  Fe18  1  0.999776  0.501204  0.387115  1
  Fe  Fe19  1  0.499776  0.973303  0.414437  1
  Fe  Fe20  1  0.499776  0.671302  0.384017  1
  Fe  Fe21  1  0.499776  0.273738  0.444456  1
  Fe  Fe22  1  0.499776  0.166898  0.403613  1
  Fe  Fe23  1  0.499776  0.865140  0.373693  1
  Fe  Fe24  1  0.499776  0.467594  0.434135  1
  Fe  Fe25  1  0.999776  0.939393  0.461158  1
  Fe  Fe26  1  -0.000224  0.541627  0.521810  1
  Fe  Fe27  1  0.999776  0.240232  0.491536  1
  Fe  Fe28  1  -0.000224  0.007463  0.538736  1
  Fe  Fe29  1  -0.000224  0.706624  0.508358  1
  Fe  Fe30  1  -0.000224  0.405229  0.478084  1
  Fe  Fe31  1  0.499776  0.876553  0.505210  1
  Fe  Fe32  1  0.499776  0.575329  0.474902  1
  Fe  Fe33  1  0.499776  0.177780  0.535529  1
  Fe  Fe34  1  0.499776  0.070303  0.494684  1
  Fe  Fe35  1  0.499776  0.769076  0.464366  1
  Fe  Fe36  1  0.499776  0.371527  0.524992  1
  Fe  Fe37  1  -0.000224  0.842858  0.552129  1
  Fe  Fe38  1  -0.000224  0.445652  0.612779  1
  Fe  Fe39  1  -0.000224  0.143890  0.582452  1
  Fe  Fe40  1  -0.000224  0.911342  0.629672  1
  Fe  Fe41  1  -0.000224  0.610230  0.599346  1
  Fe  Fe42  1  -0.000224  0.309341  0.569029  1
  Fe  Fe43  1  0.499776  0.779958  0.596282  1
  Fe  Fe44  1  0.499776  0.479262  0.565759  1
  Fe  Fe45  1  0.499776  0.081717  0.626201  1
  Fe  Fe46  1  0.499776  0.973553  0.585458  1
  Fe  Fe47  1  0.499776  0.673118  0.555439  1
  Fe  Fe48  1  0.499776  0.275555  0.615878  1
  Fe  Fe49  1  -0.000224  0.746437  0.643121  1
  Fe  Fe50  1  -0.000224  0.348316  0.703625  1
  Fe  Fe51  1  -0.000224  0.047370  0.673503  1
  Fe  Fe52  1  -0.000224  0.823286  0.719865  1
  Fe  Fe53  1  -0.000224  0.516533  0.690114  1
  Fe  Fe54  1  -0.000224  0.211364  0.660079  1
  Fe  Fe55  1  0.499776  0.683981  0.687475  1
  Fe  Fe56  1  0.499776  0.382912  0.656791  1
  Fe  Fe57  1  0.499776  0.983427  0.717034  1
  Fe  Fe58  1  0.499776  0.877118  0.675955  1
  Fe  Fe59  1  0.499776  0.576882  0.646659  1
  Fe  Fe60  1  0.499776  0.176813  0.705972  1
  C  C61  1  -0.000224  0.166192  0.318003  1
  C  C62  1  -0.000224  0.866212  0.287531  1
  C  C63  1  -0.000224  0.467052  0.348335  1
  C  C64  1  0.499776  0.364449  0.287238  1
  C  C65  1  0.499776  0.966722  0.348539  1
  C  C66  1  0.499776  0.666326  0.318248  1
  C  C67  1  -0.000224  0.070066  0.408968  1
  C  C68  1  -0.000224  0.768148  0.378717  1
  C  C69  1  -0.000224  0.370690  0.439336  1
  C  C70  1  0.499776  0.268822  0.378570  1
  C  C71  1  0.499776  0.871038  0.439344  1
  C  C72  1  0.499776  0.569284  0.409012  1
  C  C73  1  0.999776  0.973428  0.499947  1
  C  C74  1  0.999776  0.672185  0.469602  1
  C  C75  1  0.999776  0.274671  0.530292  1
  C  C76  1  0.499776  0.172181  0.469631  1
  C  C77  1  0.499776  0.774675  0.530264  1
  C  C78  1  0.499776  0.473428  0.499947  1
  C  C79  1  0.999776  0.876790  0.590926  1
  C  C80  1  0.999776  0.576167  0.560558  1
  C  C81  1  0.999776  0.178708  0.621178  1
  C  C82  1  0.499776  0.075818  0.560550  1
  C  C83  1  0.499776  0.678034  0.621325  1
  C  C84  1  0.499776  0.377572  0.590882  1
  C  C85  1  0.999776  0.780664  0.681892  1
  C  C86  1  0.999776  0.479804  0.651560  1
  C  C87  1  0.999776  0.080644  0.712363  1
  C  C88  1  0.499776  0.980134  0.651356  1
  C  C89  1  0.499776  0.582407  0.712656  1
  C  C90  1  0.499776  0.280530  0.681646  1
