data_[Cs9Hg6Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4518]
_cell_length_b [7.4518]
_cell_length_c [30.1963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3(HgCl4)2]
_chemical_formula_sum '[Cs9 Hg6 Cl24]'
_cell_volume [1452.1458]
_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  6  0.0000  0.0000  0.2061  1
  Cs  Cs1  3  0.0000  0.0000  0.0000  1
  Hg  Hg2  6  0.0000  0.0000  0.4021  1
  Cl  Cl3  18  0.0237  0.5118  0.7699  1
  Cl  Cl4  6  0.0000  0.0000  0.3204  1
]