data_[Li18Ag6Hg36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.9805]
_cell_length_b [10.9805]
_cell_length_c [12.7372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li3AgHg6]
_chemical_formula_sum '[Li18 Ag6 Hg36]'
_cell_volume [1329.9820]
_cell_formula_units_Z [6]
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  18  0.0336  0.4444  0.7195  1.0
  Ag  Ag1  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  3  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  18  0.0390  0.1907  0.8243  1.0
  Hg  Hg4  18  0.0434  0.7934  0.4023  1.0
]