data_[Cs4Li4Hg2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  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 [13.1689]
_cell_length_b [7.4419]
_cell_length_c [7.7945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Li2HgCl6]
_chemical_formula_sum '[Cs4 Li4 Hg2 Cl12]'
_cell_volume [691.2183]
_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  0.2118  0.5000  0.1773  1
  Li  Li1  4  0.0761  0.0000  0.2778  1
  Hg  Hg2  2  0.0000  0.5000  0.5000  1
  Cl  Cl3  8  0.0287  0.2549  0.7679  1
  Cl  Cl4  4  0.2395  0.5000  0.6549  1
]