data_[Cs2Rb2S2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P3m1]
_cell_length_a [6.3219]
_cell_length_b [6.3219]
_cell_length_c [8.2830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CsRbSO4]
_chemical_formula_sum '[Cs2 Rb2 S2 O8]'
_cell_volume [286.6907]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.3146  1.0
  Cs  Cs1  1  0.6667  0.3333  0.6233  1.0
  Rb  Rb2  1  0.0000  0.0000  0.8141  1.0
  Rb  Rb3  1  0.3333  0.6667  0.0240  1.0
  S  S4  1  0.3333  0.6667  0.5430  1.0
  S  S5  1  0.6667  0.3333  0.0835  1.0
  O  O6  3  0.2046  0.7954  0.6057  1.0
  O  O7  3  0.4089  0.2045  0.0204  1.0
  O  O8  1  0.3333  0.6667  0.3637  1.0
  O  O9  1  0.6667  0.3333  0.2624  1.0
]