data_[Cd20In8Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.0606]
_cell_length_b [14.0744]
_cell_length_c [6.2229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cd5In2Hg3]
_chemical_formula_sum '[Cd20 In8 Hg12]'
_cell_volume [1056.3119]
_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  0.1356  0.1485  0.0000  1
  Cd  Cd1  8  0.2487  0.5000  0.2500  1
  Cd  Cd2  4  0.0000  0.5000  0.2500  1
  In  In3  8  0.1222  0.2338  0.5000  1
  Hg  Hg4  8  0.1201  0.3487  0.0000  1
  Hg  Hg5  4  0.0000  0.0000  0.2500  1
]