data_[Pu6Fe2C6]
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 [P2_1/m]
_cell_length_a [6.2484]
_cell_length_b [5.1566]
_cell_length_c [6.4582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pu3FeC3]
_chemical_formula_sum '[Pu6 Fe2 C6]'
_cell_volume [205.5969]
_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  2  0.1282  0.2500  0.8732  1
  Pu  Pu1  2  0.1823  0.2500  0.4209  1
  Pu  Pu2  2  0.4301  0.7500  0.1701  1
  Fe  Fe3  2  0.3058  0.7500  0.6982  1
  C  C4  2  0.1137  0.7500  0.8867  1
  C  C5  2  0.1710  0.7500  0.4254  1
  C  C6  2  0.4142  0.2500  0.1604  1
]