data_[Cs12Hg4Cl24]
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 [Cmc2_1]
_cell_length_a [15.2182]
_cell_length_b [19.4408]
_cell_length_c [5.6439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs3HgCl6]
_chemical_formula_sum '[Cs12 Hg4 Cl24]'
_cell_volume [1669.7550]
_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  8  0.1814  0.1204  0.0057  1.0
  Cs  Cs1  4  0.0000  0.3842  0.9830  1.0
  Hg  Hg2  4  0.0000  0.2093  0.5650  1.0
  Cl  Cl3  8  0.1432  0.2743  0.6190  1.0
  Cl  Cl4  8  0.1633  0.4991  0.2471  1.0
  Cl  Cl5  4  0.0000  0.0799  0.5981  1.0
  Cl  Cl6  4  0.0000  0.2144  0.0956  1.0
]