# generated using pymatgen
data_PuFeC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41040200
_cell_length_b   3.41040200
_cell_length_c   7.34177000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuFeC2
_chemical_formula_sum   'Pu2 Fe2 C4'
_cell_volume   85.39096541
_cell_formula_units_Z   2
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
  Pu  Pu0  1  0.00000000  0.50000000  0.67539000  1.0
  Pu  Pu1  1  0.50000000  0.00000000  0.32461000  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe3  1  0.50000000  0.50000000  0.00000000  1.0
  C  C4  1  0.00000000  0.50000000  0.16501500  1.0
  C  C5  1  0.50000000  0.00000000  0.83498500  1.0
  C  C6  1  0.00000000  0.50000000  0.36383300  1.0
  C  C7  1  0.50000000  0.00000000  0.63616700  1.0