data_[Li36Tm3Hg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.1478]
_cell_length_b [10.1478]
_cell_length_c [13.0065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12TmHg6]
_chemical_formula_sum '[Li36 Tm3 Hg18]'
_cell_volume [1159.9329]
_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  0.0412  0.8461  0.7977  1.0
  Li  Li1  18  0.0572  0.2322  0.4190  1.0
  Tm  Tm2  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  18  0.0098  0.5862  0.7120  1.0
]