data_[Pu4Th12C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Th  1.3000  1.8000  1.0800
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3198]
_cell_length_b [3.6069]
_cell_length_c [12.3561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuTh3C2]
_chemical_formula_sum '[Pu4 Th12 C8]'
_cell_volume [571.1095]
_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  0.1464  0.0000  0.7069  1
  Th  Th1  4  0.1296  0.0000  0.1944  1
  Th  Th2  4  0.1341  0.5000  0.9392  1
  Th  Th3  4  0.1365  0.5000  0.4562  1
  C  C4  4  0.2452  0.0000  0.1234  1
  C  C5  4  0.2460  0.5000  0.3723  1
]