data_[Ba3Pu3Si6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pu  1.2800  1.7500  0.9675
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [5.1185]
_cell_length_b [5.1185]
_cell_length_c [25.5586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [BaPu(SiO4)2]
_chemical_formula_sum '[Ba3 Pu3 Si6 O24]'
_cell_volume [579.8929]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.0000  1
  Pu  Pu1  3  0.0000  0.0000  0.5000  1
  Si  Si2  6  0.0000  0.0000  0.2440  1
  O  O3  18  0.0105  0.4033  0.8858  1
  O  O4  6  0.0000  0.0000  0.3065  1
]