data_[Ba6Ti3Te3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.9810]
_cell_length_b [5.9810]
_cell_length_c [15.1361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ba2TiTeO6]
_chemical_formula_sum '[Ba6 Ti3 Te3 O18]'
_cell_volume [468.9094]
_cell_formula_units_Z [3]
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
[
  Ba  Ba0  3  0.0000  0.0000  0.2427  1.0
  Ba  Ba1  3  0.0000  0.0000  0.7363  1.0
  Ti  Ti2  3  0.0000  0.0000  0.9873  1.0
  Te  Te3  3  0.0000  0.0000  0.4865  1.0
  O  O4  9  0.1505  0.8120  0.0858  1.0
  O  O5  9  0.1515  0.3567  0.5975  1.0
]