data_[Na4Y4Ti4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [Pbcm]
_cell_length_a [12.4713]
_cell_length_b [5.4398]
_cell_length_c [5.3036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [NaYTiO4]
_chemical_formula_sum '[Na4 Y4 Ti4 O16]'
_cell_volume [359.8079]
_cell_formula_units_Z [4]
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  4  0.4134  0.0017  0.2500  1
  Y  Y1  4  0.1061  0.0253  0.2500  1
  Ti  Ti2  4  0.2625  0.5086  0.2500  1
  O  O3  4  0.0640  0.0723  0.7500  1
  O  O4  4  0.2105  0.7500  0.0000  1
  O  O5  4  0.2435  0.2500  0.0000  1
  O  O6  4  0.4024  0.5490  0.2500  1
]