data_[Cs12Ta6Ti6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1308]
_cell_length_b [6.1308]
_cell_length_c [29.1065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2TaTiO6]
_chemical_formula_sum '[Cs12 Ta6 Ti6 O36]'
_cell_volume [947.4602]
_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
[
  Cs  Cs0  6  0.0000  0.0000  0.1318  1
  Cs  Cs1  6  0.0000  0.0000  0.2810  1
  Ta  Ta2  6  0.0000  0.0000  0.4012  1
  Ti  Ti3  3  -0.0000  -0.0000  0.5000  1
  Ti  Ti4  3  0.0000  0.0000  0.0000  1
  O  O5  18  0.0012  0.5006  0.7047  1
  O  O6  18  0.0630  0.5315  0.1207  1
]