data_[Na12Cd8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.5627]
_cell_length_b [6.4239]
_cell_length_c [6.3020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na3Cd2Hg]
_chemical_formula_sum '[Na12 Cd8 Hg4]'
_cell_volume [665.3481]
_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
[
  Na  Na0  8  0.1800  0.0889  0.6440  1.0
  Na  Na1  4  0.0000  0.2170  0.2500  1.0
  Cd  Cd2  8  0.1503  0.4277  0.0254  1.0
  Hg  Hg3  4  0.0000  0.2785  0.7500  1.0
]