data_[Rb3Li3Hg6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.0381]
_cell_length_b [8.0381]
_cell_length_c [25.3002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [RbLi(HgI3)2]
_chemical_formula_sum '[Rb3 Li3 Hg6 I18]'
_cell_volume [1415.6642]
_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
[
  Rb  Rb0  3  -0.0000  0.0000  0.5000  1.0
  Li  Li1  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  6  0.0000  0.0000  0.2640  1.0
  I  I3  18  0.0133  0.7100  0.9261  1.0
]