data_[Li6Hg3Pb3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [R3]
_cell_length_a [6.8016]
_cell_length_b [6.8016]
_cell_length_c [18.3641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2HgPbCl6]
_chemical_formula_sum '[Li6 Hg3 Pb3 Cl18]'
_cell_volume [735.7281]
_cell_formula_units_Z [3]
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
[
  Li  Li0  3  0.0000  0.0000  0.0171  1.0
  Li  Li1  3  0.0000  0.0000  0.5107  1.0
  Hg  Hg2  3  0.0000  0.0000  0.3111  1.0
  Pb  Pb3  3  0.0000  0.0000  0.8106  1.0
  Cl  Cl4  9  0.0280  0.3386  0.5870  1.0
  Cl  Cl5  9  0.0627  0.7171  0.0838  1.0
]