data_[La32Nd16O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.2824]
_cell_length_b [10.2623]
_cell_length_c [21.5616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [La2NdO3]
_chemical_formula_sum '[La32 Nd16 O48]'
_cell_volume [1611.3908]
_cell_formula_units_Z [16]
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
[
  La  La0  16  0.0000  0.0000  0.2507  1
  La  La1  16  0.0000  0.0000  0.4170  1
  Nd  Nd2  16  0.0000  0.0000  0.0836  1
  O  O3  32  0.0037  0.2470  0.0841  1
  O  O4  16  0.0069  0.2500  0.2500  1
]