data_[Li24Sn9Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5409]
_cell_length_b [5.5409]
_cell_length_c [29.5365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li8Sn3Hg2]
_chemical_formula_sum '[Li24 Sn9 Hg6]'
_cell_volume [785.3138]
_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  18  0.0067  0.5033  0.7743  1
  Li  Li1  6  0.0000  0.0000  0.2798  1
  Sn  Sn2  6  0.0000  0.0000  0.1848  1
  Sn  Sn3  3  0.0000  0.0000  0.0000  1
  Hg  Hg4  6  0.0000  0.0000  0.3705  1
]