data_[Cs4Ag2Hg4I12]
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/m]
_cell_length_a [15.2708]
_cell_length_b [8.7159]
_cell_length_c [9.1783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Ag(HgI3)2]
_chemical_formula_sum '[Cs4 Ag2 Hg4 I12]'
_cell_volume [1049.5991]
_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
[
  Cs  Cs0  4  0.2253  0.5000  0.2078  1.0
  Ag  Ag1  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg2  4  0.0462  0.0000  0.1790  1.0
  I  I3  8  0.0450  0.2725  0.7697  1.0
  I  I4  4  0.2370  0.5000  0.6428  1.0
]