data_[Rb6Pu3Hg3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pu  1.2800  1.7500  0.9675
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.9035]
_cell_length_b [8.9035]
_cell_length_c [21.8598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Rb2PuHgI6]
_chemical_formula_sum '[Rb6 Pu3 Hg3 I18]'
_cell_volume [1500.7154]
_cell_formula_units_Z [3]
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
[
  Rb  Rb0  3  0.0000  0.0000  0.2888  1
  Rb  Rb1  3  0.0000  0.0000  0.7749  1
  Pu  Pu2  3  0.0000  0.0000  0.9925  1
  Hg  Hg3  3  0.0000  0.0000  0.4976  1
  I  I4  9  0.0230  0.4206  0.7381  1
  I  I5  9  0.0864  0.7213  0.5771  1
]