data_[Pu1Ag2H1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ag  1.9300  1.6000  1.0867
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0260]
_cell_length_b [3.4958]
_cell_length_c [7.1154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PuAg2HO4]
_chemical_formula_sum '[Pu1 Ag2 H1 O4]'
_cell_volume [117.9164]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Ag  Ag1  1  0.0000  0.0000  0.0000  1
  Ag  Ag2  1  0.5000  0.5000  0.0000  1
  H  H3  1  0.5000  0.5000  0.5000  1
  O  O4  2  0.2328  0.0000  0.8018  1
  O  O5  2  0.2452  0.5000  0.4579  1
]