data_[Cd10Ag16Hg2]
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 [I-4]
_cell_length_a [7.8435]
_cell_length_b [7.8435]
_cell_length_c [9.7383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Cd5Ag8Hg]
_chemical_formula_sum '[Cd10 Ag16 Hg2]'
_cell_volume [599.1006]
_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
[
  Cd  Cd0  8  0.1399  0.7739  0.9422  1.0
  Cd  Cd1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  8  0.0798  0.6755  0.6391  1.0
  Ag  Ag3  8  0.0829  0.8421  0.2400  1.0
  Hg  Hg4  2  0.0000  0.5000  0.2500  1.0
]