data_[Na1Li1La2Ti4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P1]
_cell_length_a [5.4480]
_cell_length_b [5.4476]
_cell_length_c [7.9965]
_cell_angle_alpha [89.5678]
_cell_angle_beta [89.3115]
_cell_angle_gamma [89.3818]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaLiLa2Ti4O12]
_chemical_formula_sum '[Na1 Li1 La2 Ti4 O12]'
_cell_volume [237.2840]
_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
[
  Na  Na0  1  0.0057  0.5144  0.2159  1.0
  Li  Li1  1  0.9427  0.4594  0.6557  1.0
  La  La2  1  0.4886  0.9885  0.7362  1.0
  La  La3  1  0.5092  0.0112  0.2311  1.0
  Ti  Ti4  1  0.4812  0.5056  0.4799  1.0
  Ti  Ti5  1  0.5068  0.5000  0.9743  1.0
  Ti  Ti6  1  0.9964  0.0120  0.9751  1.0
  Ti  Ti7  1  0.9973  0.9980  0.4774  1.0
  O  O8  1  0.0451  0.9532  0.2521  1.0
  O  O9  1  0.2106  0.7050  0.5529  1.0
  O  O10  1  0.2527  0.7479  0.9556  1.0
  O  O11  1  0.2930  0.2237  0.9971  1.0
  O  O12  1  0.2999  0.1934  0.4965  1.0
  O  O13  1  0.4510  0.5390  0.2528  1.0
  O  O14  1  0.5685  0.4643  0.7480  1.0
  O  O15  1  0.7017  0.7897  0.4965  1.0
  O  O16  1  0.7298  0.7873  0.0001  1.0
  O  O17  1  0.7716  0.2682  0.0476  1.0
  O  O18  1  0.7819  0.2746  0.4569  1.0
  O  O19  1  0.9664  0.0647  0.7481  1.0
]