data_[Sr4Ti4O14]
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 [C2/m]
_cell_length_a [7.2825]
_cell_length_b [10.3386]
_cell_length_c [5.3822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Ti2O7]
_chemical_formula_sum '[Sr4 Ti4 O14]'
_cell_volume [397.6115]
_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
[
  Sr  Sr0  4  0.0000  0.3088  0.0000  1
  Ti  Ti1  4  0.2267  0.0000  0.3868  1
  O  O2  8  0.2250  0.1441  0.1987  1
  O  O3  4  0.0809  0.5000  0.3207  1
  O  O4  2  0.0000  0.0000  0.5000  1
]