data_[Rb6S6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [9.9567]
_cell_length_b [9.9567]
_cell_length_c [6.2821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [150]
_chemical_formula_structural [RbSO3]
_chemical_formula_sum '[Rb6 S6 O18]'
_cell_volume [539.3430]
_cell_formula_units_Z [6]
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
[
  Rb  Rb0  3  0.0000  0.3013  0.5000  1
  Rb  Rb1  3  0.0000  0.6200  0.0000  1
  S  S2  2  0.0000  0.0000  0.1767  1
  S  S3  2  0.3333  0.6667  0.2417  1
  S  S4  2  0.3333  0.6667  0.5870  1
  O  O5  6  0.0324  0.8765  0.7641  1
  O  O6  6  0.1819  0.6485  0.6407  1
  O  O7  6  0.2031  0.5139  0.1808  1
]