data_[Pa2Hg6I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.5461]
_cell_length_b [10.1183]
_cell_length_c [12.9843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pa(HgI2)3]
_chemical_formula_sum '[Pa2 Hg6 I12]'
_cell_volume [990.7227]
_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  0.4289  0.7412  0.4033  1
  Hg  Hg2  2  0.5000  0.0000  0.5000  1
  I  I3  4  0.1526  0.7356  0.0815  1
  I  I4  4  0.2039  0.0271  0.8680  1
  I  I5  4  0.3015  0.1231  0.2042  1
]