# generated using pymatgen
data_Fe4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81485285
_cell_length_b   3.81485285
_cell_length_c   49.59057239
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4C
_chemical_formula_sum   'Fe24 C6'
_cell_volume   721.696672523
_cell_formula_units_Z   6
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  0.226564  0.226564  0.287325  1
  Fe  Fe2  1  0.229421  0.770876  0.328562  1
  Fe  Fe3  1  0.773733  0.773733  0.287325  1
  Fe  Fe4  1  0.770876  0.229421  0.328562  1
  Fe  Fe5  1  0.229411  0.229411  0.363859  1
  Fe  Fe6  1  0.229500  0.770797  0.405554  1
  Fe  Fe7  1  0.770885  0.770885  0.363859  1
  Fe  Fe8  1  0.770797  0.229500  0.405554  1
  Fe  Fe9  1  0.229494  0.229494  0.440830  1
  Fe  Fe10  1  0.229490  0.770807  0.482535  1
  Fe  Fe11  1  0.770803  0.770803  0.440830  1
  Fe  Fe12  1  0.770807  0.229490  0.482535  1
  Fe  Fe13  1  0.229490  0.229490  0.517812  1
  Fe  Fe14  1  0.229494  0.770803  0.559517  1
  Fe  Fe15  1  0.770807  0.770807  0.517812  1
  Fe  Fe16  1  0.770803  0.229494  0.559517  1
  Fe  Fe17  1  0.229500  0.229500  0.594794  1
  Fe  Fe18  1  0.229411  0.770885  0.636488  1
  Fe  Fe19  1  0.770797  0.770797  0.594794  1
  Fe  Fe20  1  0.770885  0.229411  0.636488  1
  Fe  Fe21  1  0.229421  0.229421  0.671785  1
  Fe  Fe22  1  0.226564  0.773733  0.713022  1
  Fe  Fe23  1  0.770876  0.770876  0.671785  1
  Fe  Fe24  1  0.773733  0.226564  0.713022  1
  C  C25  1  0.500148  0.500148  0.307752  1
  C  C26  1  0.500148  0.500148  0.384699  1
  C  C27  1  0.500148  0.500148  0.461683  1
  C  C28  1  0.500148  0.500148  0.538664  1
  C  C29  1  0.500148  0.500148  0.615648  1
  C  C30  1  0.500148  0.500148  0.692596  1
