data_[Cd3S6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.4754]
_cell_length_b [5.4754]
_cell_length_c [18.0302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Cd(SO3)2]
_chemical_formula_sum '[Cd3 S6 O18]'
_cell_volume [468.1219]
_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  3  0.0000  0.0000  0.6672  1.0
  S  S1  3  0.0000  0.0000  0.2728  1.0
  S  S2  3  0.0000  0.0000  0.3939  1.0
  O  O3  9  0.0451  0.4475  0.9195  1.0
  O  O4  9  0.0459  0.6002  0.0807  1.0
]