data_[Ba4Sr2Ti6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [5.6336]
_cell_length_b [16.8745]
_cell_length_c [4.1334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Ba2SrTi3O9]
_chemical_formula_sum '[Ba4 Sr2 Ti6 O18]'
_cell_volume [392.9424]
_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
[
  Ba  Ba0  4  0.0000  0.3330  0.0017  1.0
  Sr  Sr1  2  0.0000  0.0000  0.9801  1.0
  Ti  Ti2  4  0.0000  0.1647  0.4835  1.0
  Ti  Ti3  2  0.0000  0.5000  0.4838  1.0
  O  O4  8  0.2473  0.0818  0.5307  1.0
  O  O5  4  0.0000  0.1625  0.0398  1.0
  O  O6  4  0.2500  0.2500  0.5222  1.0
  O  O7  2  0.0000  0.5000  0.0410  1.0
]