data_[Li24Sn3Hg18]
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-3]
_cell_length_a [7.4715]
_cell_length_b [7.4715]
_cell_length_c [18.5308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li8SnHg6]
_chemical_formula_sum '[Li24 Sn3 Hg18]'
_cell_volume [895.8583]
_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  0.0451  0.7773  0.1216  1.0
  Li  Li1  6  0.0000  0.0000  0.4013  1.0
  Sn  Sn2  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  18  0.0232  0.7682  0.2698  1.0
]