data_[Pa4Hg6I16]
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 [C2/m]
_cell_length_a [22.3793]
_cell_length_b [9.1897]
_cell_length_c [6.0848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2Hg3I8]
_chemical_formula_sum '[Pa4 Hg6 I16]'
_cell_volume [1222.2092]
_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  4  0.2267  0.5000  0.0824  1
  Hg  Hg1  4  0.0000  0.1828  0.0000  1
  Hg  Hg2  2  0.0000  0.0000  0.5000  1
  I  I3  8  0.1633  0.2240  0.8361  1
  I  I4  4  0.1095  0.5000  0.2282  1
  I  I5  4  0.2255  0.0000  0.3959  1
]