data_[Pu1Cr2Ag1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8247]
_cell_length_b [5.8247]
_cell_length_c [6.5612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [PuCr2AgO8]
_chemical_formula_sum '[Pu1 Cr2 Ag1 O8]'
_cell_volume [192.7812]
_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  0.0000  1
  Cr  Cr1  2  0.3333  0.6667  0.7094  1
  Ag  Ag2  1  0.0000  0.0000  0.5000  1
  O  O3  6  0.1703  0.3407  0.7975  1
  O  O4  2  0.3333  0.6667  0.4632  1
]