data_[Sr8Ti8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Imma]
_cell_length_a [5.6188]
_cell_length_b [15.7117]
_cell_length_c [5.6170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Sr2Ti2O5]
_chemical_formula_sum '[Sr8 Ti8 O20]'
_cell_volume [495.8728]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  8  0.0000  0.1178  0.0020  1.0
  Ti  Ti1  4  0.0000  0.0000  0.5000  1.0
  Ti  Ti2  4  0.0000  0.2500  0.5183  1.0
  O  O3  8  0.0000  0.1287  0.4636  1.0
  O  O4  8  0.2500  0.0078  0.7500  1.0
  O  O5  4  0.2500  0.2500  0.7500  1.0
]