data_[Pu3Sc3Hg6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.7034]
_cell_length_b [5.7034]
_cell_length_c [14.8619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [PuSc(HgO3)2]
_chemical_formula_sum '[Pu3 Sc3 Hg6 O18]'
_cell_volume [418.6703]
_cell_formula_units_Z [3]
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  3  0.0000  -0.0000  0.5000  1
  Sc  Sc1  3  0.0000  0.0000  0.0000  1
  Hg  Hg2  6  0.0000  0.0000  0.2535  1
  O  O3  18  0.0003  0.3937  0.2512  1
]