data_[Pu4Cu4Hg4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.6706]
_cell_length_b [10.3926]
_cell_length_c [7.7356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PuCuHgO5]
_chemical_formula_sum '[Pu4 Cu4 Hg4 O20]'
_cell_volume [494.0590]
_cell_formula_units_Z [4]
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  0.2500  0.2500  0.5000  1
  Cu  Cu1  4  0.0000  0.4592  0.7500  1
  Hg  Hg2  4  0.0000  0.0659  0.7500  1
  O  O3  8  0.0464  0.3348  0.5765  1
  O  O4  8  0.2361  0.0682  0.6405  1
  O  O5  4  0.0000  0.1873  0.2500  1
]