data_[Nd6Ti8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Amm2]
_cell_length_a [7.7666]
_cell_length_b [7.7750]
_cell_length_c [7.8374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd3Ti4O12]
_chemical_formula_sum '[Nd6 Ti8 O24]'
_cell_volume [473.2609]
_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
[
  Nd  Nd0  2  0.0000  0.0000  0.2394  1.0
  Nd  Nd1  2  0.0000  0.0000  0.7366  1.0
  Nd  Nd2  2  0.5000  0.0000  0.7644  1.0
  Ti  Ti3  8  0.2558  0.2467  0.4991  1.0
  O  O4  8  0.2283  0.2346  0.2493  1.0
  O  O5  4  0.0000  0.1946  0.4961  1.0
  O  O6  4  0.1997  0.0000  0.9786  1.0
  O  O7  4  0.2884  0.0000  0.5431  1.0
  O  O8  4  0.5000  0.2113  0.9857  1.0
]