data_[Pu4Th4Sc14]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9483]
_cell_length_b [10.9081]
_cell_length_c [3.4227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2Th2Sc7]
_chemical_formula_sum '[Pu4 Th4 Sc14]'
_cell_volume [584.3464]
_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  4  0.0000  0.2436  0.0000  1
  Th  Th1  4  0.1898  0.0000  0.1744  1
  Sc  Sc2  8  0.1668  0.2642  0.6683  1
  Sc  Sc3  4  0.1046  0.5000  0.1400  1
  Sc  Sc4  2  0.0000  0.0000  0.5000  1
]