data_[Pu2Ag2Hg12]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0552]
_cell_length_b [7.0886]
_cell_length_c [11.1519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PuAgHg6]
_chemical_formula_sum '[Pu2 Ag2 Hg12]'
_cell_volume [399.6196]
_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  0.1129  1
  Ag  Ag1  2  0.5000  0.0000  0.3405  1
  Hg  Hg2  4  0.0000  0.2376  0.3664  1
  Hg  Hg3  4  0.5000  0.2225  0.6427  1
  Hg  Hg4  2  0.0000  0.0000  0.6114  1
  Hg  Hg5  2  0.5000  0.0000  0.9168  1
]