data_[Cs1Pu1Hg2Cl8]
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 [P-1]
_cell_length_a [6.6854]
_cell_length_b [7.2311]
_cell_length_c [9.6586]
_cell_angle_alpha [111.5081]
_cell_angle_beta [95.5544]
_cell_angle_gamma [98.6709]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPu(HgCl4)2]
_chemical_formula_sum '[Cs1 Pu1 Hg2 Cl8]'
_cell_volume [423.5275]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.5000  1
  Pu  Pu1  1  0.0000  0.0000  0.0000  1
  Hg  Hg2  2  0.4685  0.8080  0.2748  1
  Cl  Cl3  2  0.1264  0.0342  0.7501  1
  Cl  Cl4  2  0.2175  0.3656  0.1724  1
  Cl  Cl5  2  0.3190  0.7981  0.0343  1
  Cl  Cl6  2  0.4431  0.2336  0.4939  1
]