data_[Pu8Fe4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6242]
_cell_length_b [5.0403]
_cell_length_c [6.3646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2FeC2]
_chemical_formula_sum '[Pu8 Fe4 C8]'
_cell_volume [291.5153]
_cell_formula_units_Z [4]
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  4  0.0430  0.0000  0.7995  1
  Pu  Pu1  4  0.1929  0.5000  0.6399  1
  Fe  Fe2  4  0.1322  0.5000  0.1254  1
  C  C3  4  0.0078  0.5000  0.7741  1
  C  C4  4  0.1737  0.0000  0.5880  1
]