data_[Pu2Hg2P4O16]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9852]
_cell_length_b [5.6732]
_cell_length_c [7.9398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuHg(PO4)2]
_chemical_formula_sum '[Pu2 Hg2 P4 O16]'
_cell_volume [396.7788]
_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  2  0.0000  0.0000  0.5000  1
  P  P2  4  0.1807  0.5000  0.2239  1
  O  O3  8  0.0790  0.2764  0.1998  1
  O  O4  4  0.2157  0.0000  0.9098  1
  O  O5  4  0.2287  0.0000  0.5871  1
]