data_[Cd18In3Hg36]
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-3]
_cell_length_a [10.7837]
_cell_length_b [10.7837]
_cell_length_c [15.9320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd6InHg12]
_chemical_formula_sum '[Cd18 In3 Hg36]'
_cell_volume [1604.4893]
_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  18  0.0093  0.5835  0.6865  1.0
  In  In1  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  18  0.0307  0.1823  0.8135  1.0
  Hg  Hg3  18  0.0571  0.2023  0.4159  1.0
]