data_[Rb4Ba2Ti2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6014]
_cell_length_b [7.6532]
_cell_length_c [6.3042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Rb2BaTiO4]
_chemical_formula_sum '[Rb4 Ba2 Ti2 O8]'
_cell_volume [366.7421]
_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
[
  Rb  Rb0  4  0.2377  0.3457  0.0175  1.0
  Ba  Ba1  2  0.0000  0.1140  0.5064  1.0
  Ti  Ti2  2  0.0000  0.8274  0.9969  1.0
  O  O3  4  0.2045  0.7140  0.0805  1.0
  O  O4  2  0.0000  0.0553  0.0947  1.0
  O  O5  2  0.0000  0.8313  0.7059  1.0
]