# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.39241159
_cell_length_b   6.11569728
_cell_length_c   48.49987107
_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   'Fe24 C12'
_cell_volume   709.614469456
_cell_formula_units_Z   12
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  0.495394  0.542057  0.278832  1
  Fe  Fe2  1  0.495394  0.308738  0.317981  1
  Fe  Fe3  1  0.495394  0.933628  0.299705  1
  Fe  Fe4  1  0.495394  0.875995  0.346770  1
  Fe  Fe5  1  0.495394  0.522216  0.355736  1
  Fe  Fe6  1  0.495394  0.340201  0.392897  1
  Fe  Fe7  1  0.495394  0.996980  0.390042  1
  Fe  Fe8  1  0.495394  0.837167  0.428637  1
  Fe  Fe9  1  0.495394  0.503204  0.429114  1
  Fe  Fe10  1  0.495394  0.334882  0.465125  1
  Fe  Fe11  1  0.495394  1.002544  0.465132  1
  Fe  Fe12  1  0.495394  0.835955  0.501684  1
  Fe  Fe13  1  0.495394  0.502363  0.501615  1
  Fe  Fe14  1  0.495394  0.335999  0.538093  1
  Fe  Fe15  1  0.495394  1.002370  0.538155  1
  Fe  Fe16  1  0.495394  0.835000  0.574642  1
  Fe  Fe17  1  0.495394  0.502399  0.574670  1
  Fe  Fe18  1  0.495394  0.336313  0.611203  1
  Fe  Fe19  1  0.495394  0.003730  0.610667  1
  Fe  Fe20  1  0.495394  0.842091  0.646778  1
  Fe  Fe21  1  0.495394  0.496398  0.648785  1
  Fe  Fe22  1  0.495394  0.380760  0.692240  1
  Fe  Fe23  1  0.495394  0.022032  0.685353  1
  Fe  Fe24  1  0.495394  0.734588  0.722199  1
  C  C25  1  0.495394  0.214831  0.278663  1
  C  C26  1  0.495394  0.640094  0.317848  1
  C  C27  1  0.495394  0.192225  0.356408  1
  C  C28  1  0.495394  0.670174  0.392655  1
  C  C29  1  0.495394  0.167568  0.428338  1
  C  C30  1  0.495394  0.669654  0.465258  1
  C  C31  1  0.495394  0.169028  0.501649  1
  C  C32  1  0.495394  0.668994  0.538135  1
  C  C33  1  0.495394  0.169673  0.574509  1
  C  C34  1  0.495394  0.667804  0.611369  1
  C  C35  1  0.495394  0.169210  0.647535  1
  C  C36  1  0.495394  0.694462  0.681766  1
