data_[Cd16Hg2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8615]
_cell_length_b [12.5495]
_cell_length_c [5.4108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd8HgAu2]
_chemical_formula_sum '[Cd16 Hg2 Au4]'
_cell_volume [523.9826]
_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  0.1920  0.1193  0.1375  1.0
  Cd  Cd1  4  0.0000  0.2531  0.5000  1.0
  Cd  Cd2  4  0.1174  0.5000  0.2946  1.0
  Hg  Hg3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  4  0.0000  0.3119  0.0000  1.0
]