data_[Li6Hg3Pb3I18]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8308]
_cell_length_b [7.8308]
_cell_length_c [22.9658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2HgPbI6]
_chemical_formula_sum '[Li6 Hg3 Pb3 I18]'
_cell_volume [1219.6174]
_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  0.5136  1.0
  Li  Li1  3  0.0000  0.0000  0.9270  1.0
  Hg  Hg2  3  0.0000  0.0000  0.7535  1.0
  Pb  Pb3  3  0.0000  0.0000  0.1758  1.0
  I  I4  9  0.0018  0.6837  0.5806  1.0
  I  I5  9  0.0315  0.3564  0.0834  1.0
]