data_[Cs4Pu4Hg4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pu  1.2800  1.7500  0.9675
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.4703]
_cell_length_b [10.2541]
_cell_length_c [14.3159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsPuHgCl6]
_chemical_formula_sum '[Cs4 Pu4 Hg4 Cl24]'
_cell_volume [1390.2136]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.0000  0.2500  0.6963  1
  Pu  Pu1  4  0.0000  0.0000  0.0000  1
  Hg  Hg2  4  0.2500  0.2500  0.2500  1
  Cl  Cl3  16  0.1925  0.0505  0.8750  1
  Cl  Cl4  4  0.0000  0.2500  0.0580  1
  Cl  Cl5  4  0.0000  0.2500  0.3093  1
]