data_[Li16Cd10Hg2]
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 [I-4]
_cell_length_a [8.1883]
_cell_length_b [8.1883]
_cell_length_c [8.3875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Li8Cd5Hg]
_chemical_formula_sum '[Li16 Cd10 Hg2]'
_cell_volume [562.3662]
_cell_formula_units_Z [2]
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  8  0.0646  0.3342  0.5769  1.0
  Li  Li1  8  0.1022  0.1904  0.2417  1.0
  Cd  Cd2  8  0.1114  0.2040  0.9031  1.0
  Cd  Cd3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  2  0.0000  0.5000  0.2500  1.0
]