data_[Pu2Hg4O8F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3408]
_cell_length_b [3.6183]
_cell_length_c [8.1444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1620]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuHg2O4F]
_chemical_formula_sum '[Pu2 Hg4 O8 F2]'
_cell_volume [285.9397]
_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
  Hg  Hg1  4  0.1640  0.0000  0.6658  1
  O  O2  4  0.1019  0.0000  0.9047  1
  O  O3  4  0.1211  0.5000  0.2006  1
  F  F4  2  0.0000  0.5000  0.5000  1
]