data_[Rb4Pa2Hg4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [C2/m]
_cell_length_a [8.9134]
_cell_length_b [15.7604]
_cell_length_c [9.7247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5328]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Pa(HgI3)2]
_chemical_formula_sum '[Rb4 Pa2 Hg4 I12]'
_cell_volume [1270.7673]
_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
[
  Rb  Rb0  4  0.0000  0.3315  0.5000  1
  Pa  Pa1  2  0.0000  0.0000  0.5000  1
  Hg  Hg2  4  0.0000  0.1897  0.0000  1
  I  I3  8  0.2163  0.8631  0.6968  1
  I  I4  4  0.2013  0.0000  0.3051  1
]