data_[Pu6Zn4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6122]
_cell_length_b [5.0300]
_cell_length_c [8.7187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu3(ZnHg2)2]
_chemical_formula_sum '[Pu6 Zn4 Hg8]'
_cell_volume [385.7889]
_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  0.0037  0.0000  0.3158  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.1719  0.5000  0.2791  1
  Hg  Hg3  4  0.1585  0.5000  0.9512  1
  Hg  Hg4  4  0.1692  0.5000  0.6093  1
]