data_[Cs3Na3Hg6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.2615]
_cell_length_b [8.2615]
_cell_length_c [27.5339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsNa(HgI3)2]
_chemical_formula_sum '[Cs3 Na3 Hg6 I18]'
_cell_volume [1627.4747]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  3  0.0000  0.0000  0.5014  1.0
  Na  Na1  3  0.0000  0.0000  0.0015  1.0
  Hg  Hg2  3  0.0000  0.0000  0.2661  1.0
  Hg  Hg3  3  0.0000  0.0000  0.7399  1.0
  I  I4  9  0.0132  0.6510  0.5963  1.0
  I  I5  9  0.0436  0.3520  0.7447  1.0
]