data_[Cd18In6Hg4]
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 [C2/m]
_cell_length_a [11.3472]
_cell_length_b [10.4858]
_cell_length_c [5.9365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd9In3Hg2]
_chemical_formula_sum '[Cd18 In6 Hg4]'
_cell_volume [705.7388]
_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  0.1314  0.2578  0.6060  1
  Cd  Cd1  8  0.1565  0.1401  0.1134  1
  Cd  Cd2  2  0.0000  0.5000  0.5000  1
  In  In3  4  0.2330  0.5000  0.2901  1
  In  In4  2  0.0000  0.0000  0.5000  1
  Hg  Hg5  4  0.0000  0.3611  0.0000  1
]