data_[Pa2Hg6O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [7.1702]
_cell_length_b [12.2027]
_cell_length_c [3.6348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Pa(HgO2)3]
_chemical_formula_sum '[Pa2 Hg6 O12]'
_cell_volume [318.0321]
_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
[
  Pa  Pa0  2  0.0000  0.0000  0.0000  1
  Hg  Hg1  4  0.1932  0.2674  0.5000  1
  Hg  Hg2  2  0.0000  0.5000  0.0000  1
  O  O3  4  0.0223  0.6823  0.0000  1
  O  O4  4  0.0423  0.1022  0.5000  1
  O  O5  4  0.2138  0.4575  0.5000  1
]