data_[Cs2Hg4Cl12]
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 [C2/m]
_cell_length_a [14.5503]
_cell_length_b [5.4443]
_cell_length_c [10.6913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(HgCl3)2]
_chemical_formula_sum '[Cs2 Hg4 Cl12]'
_cell_volume [689.5927]
_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  2  0.0000  0.0000  0.5000  1
  Hg  Hg1  4  0.1696  0.0000  0.0699  1
  Cl  Cl2  4  0.0057  0.0000  0.1787  1
  Cl  Cl3  4  0.1812  0.5000  0.6621  1
  Cl  Cl4  4  0.1891  0.5000  0.0630  1
]