data_[Li1Cd3Hg8]
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 [P-31m]
_cell_length_a [6.1417]
_cell_length_b [6.1417]
_cell_length_c [9.1442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [LiCd3Hg8]
_chemical_formula_sum '[Li1 Cd3 Hg8]'
_cell_volume [298.7174]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Cd  Cd1  2  0.3333  0.6667  0.0000  1
  Cd  Cd2  1  0.0000  0.0000  0.0000  1
  Hg  Hg3  6  0.0000  0.3202  0.2522  1
  Hg  Hg4  2  0.3333  0.6667  0.5000  1
]