data_[Pu8Mn4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9459]
_cell_length_b [5.1402]
_cell_length_c [6.1407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2MnC2]
_chemical_formula_sum '[Pu8 Mn4 C8]'
_cell_volume [283.2038]
_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  0.0092  0.0000  0.2264  1
  Pu  Pu1  4  0.1996  0.5000  0.6494  1
  Mn  Mn2  4  0.1388  0.5000  0.1110  1
  C  C3  4  0.0025  0.5000  0.7647  1
  C  C4  4  0.1725  0.0000  0.6307  1
]