data_[Li18Sn3Hg36]
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 [13.5714]
_cell_length_b [13.5714]
_cell_length_c [7.8049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6SnHg12]
_chemical_formula_sum '[Li18 Sn3 Hg36]'
_cell_volume [1244.9361]
_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  0.0268  0.7549  0.3307  1
  Sn  Sn1  3  0.0000  0.0000  0.0000  1
  Hg  Hg2  18  0.0030  0.1447  0.3447  1
  Hg  Hg3  18  0.0590  0.5070  0.6802  1
]