data_[La1Y3Ti4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4172]
_cell_length_b [7.7671]
_cell_length_c [5.7293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaY3Ti4O12]
_chemical_formula_sum '[La1 Y3 Ti4 O12]'
_cell_volume [241.0662]
_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
[
  La  La0  1  0.5136  0.0000  0.4408  1.0
  Y  Y1  1  0.0192  0.5000  0.0680  1.0
  Y  Y2  1  0.4792  0.5000  0.5729  1.0
  Y  Y3  1  0.9770  0.0000  0.9328  1.0
  Ti  Ti4  2  0.5018  0.2528  0.0020  1.0
  Ti  Ti5  2  0.9993  0.2543  0.5007  1.0
  O  O6  2  0.1986  0.3101  0.7973  1.0
  O  O7  2  0.3072  0.3092  0.3017  1.0
  O  O8  2  0.7014  0.2031  0.7090  1.0
  O  O9  2  0.8151  0.1982  0.1931  1.0
  O  O10  1  0.0852  0.0000  0.5408  1.0
  O  O11  1  0.3843  0.0000  0.0233  1.0
  O  O12  1  0.6168  0.5000  0.9603  1.0
  O  O13  1  0.8780  0.5000  0.4532  1.0
]