data_[Li36Cd18Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.3782]
_cell_length_b [10.3782]
_cell_length_c [12.2491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12Cd6Hg]
_chemical_formula_sum '[Li36 Cd18 Hg3]'
_cell_volume [1142.5537]
_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  0.0335  0.1845  0.8143  1.0
  Li  Li1  18  0.0589  0.8457  0.4120  1.0
  Cd  Cd2  18  0.0146  0.4253  0.7047  1.0
  Hg  Hg3  3  0.0000  0.0000  0.0000  1.0
]