data_[Pu2Sc4Au2O16]
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
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1653]
_cell_length_b [6.6593]
_cell_length_c [6.7198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuSc2AuO8]
_chemical_formula_sum '[Pu2 Sc4 Au2 O16]'
_cell_volume [318.4548]
_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  0.0000  0.0000  1
  Sc  Sc1  4  0.0273  0.5000  0.2655  1
  Au  Au2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.0000  0.2996  0.0000  1
  O  O4  4  0.0000  0.3057  0.5000  1
  O  O5  4  0.1822  0.0000  0.7518  1
  O  O6  4  0.2198  0.0000  0.1805  1
]