data_[Cd12Ag24Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.4204]
_cell_length_b [16.4967]
_cell_length_c [5.1748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cd3Ag6Hg]
_chemical_formula_sum '[Cd12 Ag24 Hg4]'
_cell_volume [804.1893]
_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
[
  Cd  Cd0  8  0.1694  0.9045  0.5302  1
  Cd  Cd1  4  0.0000  0.4006  0.4260  1
  Ag  Ag2  8  0.1629  0.5515  0.4745  1
  Ag  Ag3  8  0.2455  0.2110  0.6573  1
  Ag  Ag4  4  0.0000  0.0513  0.5555  1
  Ag  Ag5  4  0.0000  0.3002  0.8607  1
  Hg  Hg6  4  0.0000  0.2127  0.3485  1
]