# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52093173
_cell_length_b   4.66527015
_cell_length_c   50.31854885
_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   'Fe20 C10'
_cell_volume   591.787776488
_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  0.999906  0.278944  0.338472  1
  Fe  Fe2  1  0.999906  0.729534  0.311488  1
  Fe  Fe3  1  0.499906  0.237653  0.293950  1
  Fe  Fe4  1  0.499906  0.776150  0.357170  1
  Fe  Fe5  1  0.999906  0.275434  0.429649  1
  Fe  Fe6  1  0.999906  0.726586  0.402557  1
  Fe  Fe7  1  0.499906  0.227493  0.384288  1
  Fe  Fe8  1  0.499906  0.775126  0.448086  1
  Fe  Fe9  1  0.999906  0.275041  0.520638  1
  Fe  Fe10  1  0.999906  0.726218  0.493544  1
  Fe  Fe11  1  0.499906  0.226303  0.475180  1
  Fe  Fe12  1  0.499906  0.775097  0.539050  1
  Fe  Fe13  1  0.999906  0.275309  0.611594  1
  Fe  Fe14  1  0.999906  0.726546  0.584489  1
  Fe  Fe15  1  0.499906  0.226263  0.566142  1
  Fe  Fe16  1  0.499906  0.776311  0.630088  1
  Fe  Fe17  1  0.999906  0.276682  0.702860  1
  Fe  Fe18  1  0.999906  0.731428  0.675156  1
  Fe  Fe19  1  0.499906  0.227124  0.657111  1
  Fe  Fe20  1  0.499906  0.755139  0.719611  1
  C  C21  1  -0.000094  0.506195  0.279410  1
  C  C22  1  0.499906  0.002507  0.325285  1
  C  C23  1  -0.000094  0.501152  0.370611  1
  C  C24  1  0.499906  1.000730  0.416153  1
  C  C25  1  -0.000094  0.500586  0.461610  1
  C  C26  1  0.499906  1.000546  0.507106  1
  C  C27  1  -0.000094  0.500572  0.552577  1
  C  C28  1  0.499906  1.000705  0.598080  1
  C  C29  1  -0.000094  0.501186  0.643511  1
  C  C30  1  0.499906  0.003231  0.689146  1
