data_[Na2Gd2Ti4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Gd  1.2000  1.8000  1.0750
  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 [7.6565]
_cell_length_b [5.5546]
_cell_length_c [5.3816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaGdTi2O6]
_chemical_formula_sum '[Na2 Gd2 Ti4 O12]'
_cell_volume [228.8759]
_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  0.2784  0.9993  1.0
  Gd  Gd1  2  0.0000  0.8171  0.5147  1.0
  Ti  Ti2  4  0.2469  0.2661  0.5164  1.0
  O  O3  4  0.2020  0.5522  0.6931  1.0
  O  O4  4  0.2122  0.0395  0.7768  1.0
  O  O5  2  0.0000  0.2292  0.4241  1.0
  O  O6  2  0.0000  0.7272  0.0894  1.0
]