data_[Sr12Ti4O20]
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 [I4/mcm]
_cell_length_a [6.9845]
_cell_length_b [6.9845]
_cell_length_c [11.5543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Sr3TiO5]
_chemical_formula_sum '[Sr12 Ti4 O20]'
_cell_volume [563.6554]
_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  0.1815  0.6815  0.5000  1.0
  Sr  Sr1  4  0.0000  0.0000  0.2500  1.0
  Ti  Ti2  4  0.0000  0.5000  0.2500  1.0
  O  O3  16  0.1450  0.3550  0.3472  1.0
  O  O4  4  0.0000  0.0000  0.0000  1.0
]