# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40671188
_cell_length_b   8.40671188
_cell_length_c   4.22412881
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe24 C8'
_cell_volume   298.53103014
_cell_formula_units_Z   8
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  Fe0  1  0.35609000  0.00000000  0.50000000  1
  Fe  Fe1  1  0.64391000  0.00000000  0.50000000  1
  Fe  Fe2  1  0.00000000  0.64391000  0.50000000  1
  Fe  Fe3  1  0.00000000  0.35609000  0.50000000  1
  Fe  Fe4  1  0.19574900  0.19574900  0.79782100  1
  Fe  Fe5  1  0.80425100  0.80425100  0.79782100  1
  Fe  Fe6  1  0.19574900  0.80425100  0.20217900  1
  Fe  Fe7  1  0.80425100  0.19574900  0.20217900  1
  Fe  Fe8  1  0.90188600  0.90188600  0.26134700  1
  Fe  Fe9  1  0.09811400  0.09811400  0.26134700  1
  Fe  Fe10  1  0.90188600  0.09811400  0.73865300  1
  Fe  Fe11  1  0.09811400  0.90188600  0.73865300  1
  Fe  Fe12  1  0.85609000  0.50000000  0.00000000  1
  Fe  Fe13  1  0.14391000  0.50000000  0.00000000  1
  Fe  Fe14  1  0.50000000  0.14391000  0.00000000  1
  Fe  Fe15  1  0.50000000  0.85609000  0.00000000  1
  Fe  Fe16  1  0.69574900  0.69574900  0.29782100  1
  Fe  Fe17  1  0.30425100  0.30425100  0.29782100  1
  Fe  Fe18  1  0.69574900  0.30425100  0.70217900  1
  Fe  Fe19  1  0.30425100  0.69574900  0.70217900  1
  Fe  Fe20  1  0.40188600  0.40188600  0.76134700  1
  Fe  Fe21  1  0.59811400  0.59811400  0.76134700  1
  Fe  Fe22  1  0.40188600  0.59811400  0.23865300  1
  Fe  Fe23  1  0.59811400  0.40188600  0.23865300  1
  C  C24  1  0.00000000  0.71000100  0.00000000  1
  C  C25  1  0.00000000  0.28999900  0.00000000  1
  C  C26  1  0.71000100  0.00000000  0.00000000  1
  C  C27  1  0.28999900  0.00000000  0.00000000  1
  C  C28  1  0.50000000  0.21000100  0.50000000  1
  C  C29  1  0.50000000  0.78999900  0.50000000  1
  C  C30  1  0.21000100  0.50000000  0.50000000  1
  C  C31  1  0.78999900  0.50000000  0.50000000  1
