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 [P4/mmm]
_cell_length_a [7.8246]
_cell_length_b [7.8246]
_cell_length_c [3.8989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NaLiLa2Ti4O12]
_chemical_formula_sum '[Na1 Li1 La2 Ti4 O12]'
_cell_volume [238.7122]
_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  0.0000  0.0000  0.5000  1.0
  Li  Li1  1  0.5000  0.5000  0.0000  1.0
  La  La2  2  0.0000  0.5000  0.5000  1.0
  Ti  Ti3  4  0.2485  0.2485  0.0000  1.0
  O  O4  4  0.0000  0.2700  0.0000  1.0
  O  O5  4  0.2400  0.2400  0.5000  1.0
  O  O6  4  0.2467  0.5000  0.0000  1.0
]