data_[Sr15Ti25O65]
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 [P2/m]
_cell_length_a [5.6661]
_cell_length_b [11.8368]
_cell_length_c [31.8711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8067]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr3Ti5O13]
_chemical_formula_sum '[Sr15 Ti25 O65]'
_cell_volume [2137.3198]
_cell_formula_units_Z [5]
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  4  0.0025  0.3268  0.0851  1
  Sr  Sr1  4  0.4915  0.3374  0.8220  1
  Sr  Sr2  2  0.0044  0.0000  0.0883  1
  Sr  Sr3  2  0.4851  0.0000  0.8210  1
  Sr  Sr4  2  0.5000  0.3272  0.0000  1
  Sr  Sr5  1  0.5000  0.0000  0.0000  1
  Ti  Ti6  4  0.0087  0.1691  0.1743  1
  Ti  Ti7  4  0.1582  0.2310  0.7244  1
  Ti  Ti8  4  0.3372  0.1391  0.2710  1
  Ti  Ti9  4  0.4975  0.1647  0.9117  1
  Ti  Ti10  2  0.0000  0.1645  0.0000  1
  Ti  Ti11  2  0.0025  0.5000  0.2535  1
  Ti  Ti12  2  0.0221  0.5000  0.1656  1
  Ti  Ti13  2  0.4970  0.5000  0.9152  1
  Ti  Ti14  1  0.0000  0.5000  0.0000  1
  O  O15  4  0.0167  0.3669  0.7174  1
  O  O16  4  0.0248  0.3328  0.1654  1
  O  O17  4  0.0549  0.1293  0.2971  1
  O  O18  4  0.2199  0.1959  0.7796  1
  O  O19  4  0.2421  0.1668  0.9558  1
  O  O20  4  0.2461  0.1613  0.8670  1
  O  O21  4  0.2546  0.1659  0.0435  1
  O  O22  4  0.2607  0.1557  0.1313  1
  O  O23  4  0.2752  0.1829  0.2175  1
  O  O24  4  0.4514  0.2298  0.7012  1
  O  O25  4  0.4943  0.3314  0.9128  1
  O  O26  2  0.0000  0.3342  0.0000  1
  O  O27  2  0.0015  0.0000  0.1782  1
  O  O28  2  0.2026  0.5000  0.8781  1
  O  O29  2  0.2225  0.5000  0.7884  1
  O  O30  2  0.2226  0.5000  0.0490  1
  O  O31  2  0.2468  0.5000  0.2180  1
  O  O32  2  0.2801  0.5000  0.9628  1
  O  O33  2  0.3120  0.5000  0.1349  1
  O  O34  2  0.4753  0.0000  0.2629  1
  O  O35  2  0.4872  0.0000  0.9149  1
  O  O36  1  0.0000  0.0000  0.0000  1
]