data_[Ba6Ho3Pu9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ho  1.2300  1.7500  1.0410
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0843]
_cell_length_b [8.0843]
_cell_length_c [18.7332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2HoPu3O12]
_chemical_formula_sum '[Ba6 Ho3 Pu9 O36]'
_cell_volume [1060.3088]
_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  6  0.0000  0.0000  0.3130  1
  Ho  Ho1  3  0.0000  0.0000  0.0000  1
  Pu  Pu2  9  0.0000  0.5000  0.5000  1
  O  O3  18  0.0581  0.5290  0.6042  1
  O  O4  18  0.0987  0.5494  0.8618  1
]