data_[Cd6In9Hg18]
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 [R-3m]
_cell_length_a [4.1155]
_cell_length_b [4.1155]
_cell_length_c [62.1516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cd2(InHg2)3]
_chemical_formula_sum '[Cd6 In9 Hg18]'
_cell_volume [911.6592]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.4551  1
  In  In1  6  0.0000  0.0000  0.2714  1
  In  In2  3  0.0000  0.0000  0.0000  1
  Hg  Hg3  6  0.0000  0.0000  0.0923  1
  Hg  Hg4  6  0.0000  0.0000  0.1820  1
  Hg  Hg5  6  0.0000  0.0000  0.3644  1
]