data_[Pu6Cd4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0064]
_cell_length_b [5.0980]
_cell_length_c [9.4031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5453]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu3(CdHg2)2]
_chemical_formula_sum '[Pu6 Cd4 Hg8]'
_cell_volume [439.7329]
_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  4  0.1630  0.5000  0.6669  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Cd  Cd2  4  0.1122  0.5000  0.2785  1
  Hg  Hg3  4  0.0593  0.0000  0.3890  1
  Hg  Hg4  4  0.2175  0.5000  0.0536  1
]