data_[Na2La2Ti4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [Pmn2_1]
_cell_length_a [7.7719]
_cell_length_b [5.5522]
_cell_length_c [5.4957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaLaTi2O6]
_chemical_formula_sum '[Na2 La2 Ti4 O12]'
_cell_volume [237.1455]
_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
[
  Na  Na0  2  0.0000  0.7326  0.5046  1.0
  La  La1  2  0.0000  0.2128  0.0110  1.0
  Ti  Ti2  4  0.2475  0.7412  0.0149  1.0
  O  O3  4  0.2181  0.4629  0.2076  1.0
  O  O4  4  0.2193  0.9672  0.2717  1.0
  O  O5  2  0.0000  0.2609  0.5587  1.0
  O  O6  2  0.0000  0.7617  0.9372  1.0
]