data_[Li24Cd10Hg4]
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 [13.2987]
_cell_length_b [7.9617]
_cell_length_c [6.9198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li12Cd5Hg2]
_chemical_formula_sum '[Li24 Cd10 Hg4]'
_cell_volume [732.4871]
_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  0.1292  0.2967  0.6722  1.0
  Li  Li1  8  0.1541  0.1859  0.2483  1.0
  Li  Li2  4  0.0543  0.5000  0.3189  1.0
  Li  Li3  4  0.0853  0.0000  0.8852  1.0
  Cd  Cd4  4  0.2054  0.5000  0.0059  1.0
  Cd  Cd5  4  0.2397  0.0000  0.5680  1.0
  Cd  Cd6  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg7  4  0.0000  0.2995  0.0000  1.0
]