data_[Pu2Rh2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Rh  2.2800  1.3500  0.7450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1249]
_cell_length_b [9.5137]
_cell_length_c [5.6728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuRhO6]
_chemical_formula_sum '[Pu2 Rh2 O12]'
_cell_volume [268.8240]
_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  2  0.0000  0.5000  0.5000  1
  Rh  Rh1  2  0.0000  0.5000  0.0000  1
  O  O2  8  0.1345  0.3684  0.7655  1
  O  O3  4  0.2020  0.0000  0.7301  1
]