data_[Cs4Hg4Pb4Cl20]
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
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5593]
_cell_length_b [13.0752]
_cell_length_c [10.5058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsHgPbCl5]
_chemical_formula_sum '[Cs4 Hg4 Pb4 Cl20]'
_cell_volume [1212.1053]
_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  0.0000  0.3427  0.2500  1.0
  Hg  Hg1  4  0.0000  0.3145  0.7500  1.0
  Pb  Pb2  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.1076  0.2086  0.6052  1.0
  Cl  Cl4  8  0.1822  0.4334  0.9353  1.0
  Cl  Cl5  4  0.0000  0.0805  0.2500  1.0
]