data_[Cs3Ag12Hg9Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [14.5189]
_cell_length_b [14.5189]
_cell_length_c [10.3968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [CsAg4(HgCl4)3]
_chemical_formula_sum '[Cs3 Ag12 Hg9 Cl36]'
_cell_volume [1897.9981]
_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  0.0000  1.0
  Ag  Ag1  9  0.0000  0.3976  0.5000  1.0
  Ag  Ag2  3  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  9  0.0000  0.5810  0.0000  1.0
  Cl  Cl4  18  0.0611  0.2114  0.2081  1.0
  Cl  Cl5  9  0.0000  0.5815  0.5000  1.0
  Cl  Cl6  9  0.0000  0.8282  0.5000  1.0
]