data_[Li24Cd4Hg12]
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 [Cmcm]
_cell_length_a [11.0169]
_cell_length_b [11.0302]
_cell_length_c [6.2020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li6CdHg3]
_chemical_formula_sum '[Li24 Cd4 Hg12]'
_cell_volume [753.6539]
_cell_formula_units_Z [4]
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  0.0000  0.1256  0.0154  1.0
  Li  Li1  8  0.1289  0.5000  0.0000  1.0
  Li  Li2  8  0.2500  0.2500  0.0000  1.0
  Cd  Cd3  4  0.0000  0.3254  0.7500  1.0
  Hg  Hg4  8  0.1698  0.0151  0.7500  1.0
  Hg  Hg5  4  0.0000  0.3341  0.2500  1.0
]