data_[Cs4Hg4Cl12]
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 [14.1369]
_cell_length_b [10.3414]
_cell_length_c [5.2009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsHgCl3]
_chemical_formula_sum '[Cs4 Hg4 Cl12]'
_cell_volume [760.3407]
_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  0.2236  0.0000  0.7388  1.0
  Hg  Hg1  4  0.0000  0.3113  0.0000  1.0
  Cl  Cl2  8  0.1286  0.2070  0.2397  1.0
  Cl  Cl3  4  0.0974  0.5000  0.7669  1.0
]