# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48236207
_cell_length_b   4.48295460
_cell_length_c   50.62417426
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe30 C10'
_cell_volume   880.967443033
_cell_formula_units_Z   10
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  0.000243  0.685647  0.335377  1
  Fe  Fe2  1  0.984764  0.334793  0.290476  1
  Fe  Fe3  1  0.334841  0.680653  0.290485  1
  Fe  Fe4  1  0.314368  0.000199  0.335377  1
  Fe  Fe5  1  0.685661  0.314305  0.335384  1
  Fe  Fe6  1  0.680695  0.984712  0.290481  1
  Fe  Fe7  1  1.000083  0.685316  0.426353  1
  Fe  Fe8  1  1.000063  0.314848  0.380849  1
  Fe  Fe9  1  0.314916  0.685280  0.380855  1
  Fe  Fe10  1  0.314863  1.000044  0.426353  1
  Fe  Fe11  1  0.685328  0.314795  0.426359  1
  Fe  Fe12  1  0.685293  1.000023  0.380849  1
  Fe  Fe13  1  1.000082  0.685317  0.517361  1
  Fe  Fe14  1  0.000099  0.314786  0.471857  1
  Fe  Fe15  1  0.314853  0.685306  0.471863  1
  Fe  Fe16  1  0.314864  1.000043  0.517361  1
  Fe  Fe17  1  0.685329  0.314796  0.517368  1
  Fe  Fe18  1  0.685318  0.000060  0.471857  1
  Fe  Fe19  1  1.000082  0.685309  0.608370  1
  Fe  Fe20  1  0.000099  0.314786  0.562865  1
  Fe  Fe21  1  0.314853  0.685307  0.562872  1
  Fe  Fe22  1  0.314872  1.000042  0.608370  1
  Fe  Fe23  1  0.685321  0.314805  0.608377  1
  Fe  Fe24  1  0.685319  0.000060  0.562865  1
  Fe  Fe25  1  0.997473  0.685760  0.699179  1
  Fe  Fe26  1  0.999955  0.314648  0.653874  1
  Fe  Fe27  1  0.314715  0.685590  0.653880  1
  Fe  Fe28  1  0.317018  0.997436  0.699178  1
  Fe  Fe29  1  0.685782  0.316939  0.699186  1
  Fe  Fe30  1  0.685602  0.999915  0.653874  1
  C  C31  1  0.333426  0.333379  0.312641  1
  C  C32  1  0.666757  0.666719  0.358093  1
  C  C33  1  0.333425  0.333384  0.403603  1
  C  C34  1  0.666757  0.666719  0.449107  1
  C  C35  1  0.333425  0.333384  0.494611  1
  C  C36  1  0.666757  0.666719  0.540115  1
  C  C37  1  0.333425  0.333384  0.585620  1
  C  C38  1  0.666757  0.666719  0.631125  1
  C  C39  1  0.333425  0.333384  0.676601  1
  C  C40  1  0.666749  0.666715  0.722226  1
