data_[Na2Nd2Ti4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  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 [7.7164]
_cell_length_b [5.5623]
_cell_length_c [5.4464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaNdTi2O6]
_chemical_formula_sum '[Na2 Nd2 Ti4 O12]'
_cell_volume [233.7640]
_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  0.2268  0.0020  1.0
  Nd  Nd1  2  0.0000  0.6949  0.5129  1.0
  Ti  Ti2  4  0.2470  0.2362  0.5165  1.0
  O  O3  4  0.2102  0.9555  0.7008  1.0
  O  O4  4  0.2156  0.4627  0.7740  1.0
  O  O5  2  0.0000  0.2652  0.4296  1.0
  O  O6  2  0.0000  0.7666  0.0729  1.0
]