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 [30.1389]
_cell_length_b [4.8332]
_cell_length_c [3.1015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4Cd4Hg3]
_chemical_formula_sum '[Li8 Cd8 Hg6]'
_cell_volume [451.7851]
_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  0.0531  0.5000  0.2211  1
  Li  Li1  4  0.1748  0.0000  0.2509  1
  Cd  Cd2  4  0.0905  0.0000  0.7574  1
  Cd  Cd3  4  0.2346  0.5000  0.2512  1
  Hg  Hg4  4  0.1443  0.5000  0.7470  1
  Hg  Hg5  2  0.0000  0.0000  0.5000  1
]