data_[Ca2Pu1Hg1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pu  1.2800  1.7500  0.9675
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [6.1708]
_cell_length_b [6.1708]
_cell_length_c [4.3512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Ca2PuHgO6]
_chemical_formula_sum '[Ca2 Pu1 Hg1 O6]'
_cell_volume [165.6885]
_cell_formula_units_Z [1]
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
[
  Ca  Ca0  2  0.0000  0.5000  0.9784  1
  Pu  Pu1  1  0.0000  0.0000  0.6880  1
  Hg  Hg2  1  0.5000  0.5000  0.5863  1
  O  O3  4  0.2289  0.2289  0.7299  1
  O  O4  1  0.0000  0.0000  0.1907  1
  O  O5  1  0.5000  0.5000  0.1054  1
]