data_[Li8Cd8Hg6]
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 [C2/m]
_cell_length_a [31.0518]
_cell_length_b [4.8415]
_cell_length_c [3.0725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Cd4Hg3]
_chemical_formula_sum '[Li8 Cd8 Hg6]'
_cell_volume [461.8992]
_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  4  0.0540  0.5000  0.2793  1.0
  Li  Li1  4  0.1736  0.0000  0.2496  1.0
  Cd  Cd2  4  0.0911  0.0000  0.7456  1.0
  Cd  Cd3  4  0.2329  0.5000  0.2489  1.0
  Hg  Hg4  4  0.1455  0.5000  0.7542  1.0
  Hg  Hg5  2  0.0000  0.0000  0.0000  1.0
]