data_[Pu2Cd12Hg10]
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 [Immm]
_cell_length_a [5.3310]
_cell_length_b [10.0266]
_cell_length_c [10.9903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [PuCd6Hg5]
_chemical_formula_sum '[Pu2 Cd12 Hg10]'
_cell_volume [587.4503]
_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  0.0000  1
  Cd  Cd1  8  0.0000  0.1682  0.2542  1
  Cd  Cd2  4  0.0000  0.5000  0.2629  1
  Hg  Hg3  4  0.0000  0.3241  0.5000  1
  Hg  Hg4  4  0.0000  0.3345  0.0000  1
  Hg  Hg5  2  0.0000  0.0000  0.5000  1
]