data_[Sr1Li1La1Ti3O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.5299]
_cell_length_b [5.5299]
_cell_length_c [6.7882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SrLiLaTi3O9]
_chemical_formula_sum '[Sr1 Li1 La1 Ti3 O9]'
_cell_volume [179.7711]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.3295  1
  Li  Li1  1  0.3333  0.6667  0.9987  1
  La  La2  1  0.6667  0.3333  0.6712  1
  Ti  Ti3  1  0.0000  0.0000  0.8397  1
  Ti  Ti4  1  0.3333  0.6667  0.4967  1
  Ti  Ti5  1  0.6667  0.3333  0.1631  1
  O  O6  3  0.1652  0.3303  0.6641  1
  O  O7  3  0.3388  0.1694  0.9946  1
  O  O8  3  0.5041  0.0081  0.3417  1
]