data_[Cs4Ag4Hg8I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.1968]
_cell_length_b [15.2999]
_cell_length_c [8.5167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsAg(HgI3)2]
_chemical_formula_sum '[Cs4 Ag4 Hg8 I24]'
_cell_volume [1954.3338]
_cell_formula_units_Z [4]
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  4  0.0000  0.3167  0.7500  1.0
  Ag  Ag1  4  0.0000  0.1689  0.2500  1.0
  Hg  Hg2  8  0.2294  0.3955  0.3659  1.0
  I  I3  8  0.0919  0.0887  0.5807  1.0
  I  I4  8  0.1339  0.4753  0.5390  1.0
  I  I5  8  0.1528  0.2371  0.1966  1.0
]