data_[Cs12Hg6Cl2]
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 [P2_1/c]
_cell_length_a [9.1714]
_cell_length_b [10.2083]
_cell_length_c [15.7974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs6Hg3Cl]
_chemical_formula_sum '[Cs12 Hg6 Cl2]'
_cell_volume [1251.5313]
_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  0.0858  0.0378  0.2391  1
  Cs  Cs1  4  0.2175  0.6909  0.0701  1
  Cs  Cs2  4  0.3782  0.1666  0.0624  1
  Hg  Hg3  4  0.3242  0.1264  0.7672  1
  Hg  Hg4  2  0.5000  0.0000  0.5000  1
  Cl  Cl5  2  0.0000  0.0000  0.0000  1
]