data_[Rb1Ti1S2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6683]
_cell_length_b [4.8112]
_cell_length_c [8.0384]
_cell_angle_alpha [82.2286]
_cell_angle_beta [82.7407]
_cell_angle_gamma [67.4857]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbTi(SO4)2]
_chemical_formula_sum '[Rb1 Ti1 S2 O8]'
_cell_volume [164.7024]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1
  Ti  Ti1  1  0.0000  0.5000  0.5000  1
  S  S2  2  0.3869  0.8951  0.3006  1
  O  O3  2  0.2504  0.7590  0.4528  1
  O  O4  2  0.2669  0.2394  0.6907  1
  O  O5  2  0.2767  0.2274  0.3179  1
  O  O6  2  0.3086  0.8458  0.1410  1
]