data_[La4Nd4O12]
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 [Pnma]
_cell_length_a [6.2618]
_cell_length_b [8.8843]
_cell_length_c [6.0546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaNdO3]
_chemical_formula_sum '[La4 Nd4 O12]'
_cell_volume [336.8340]
_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
[
  La  La0  4  0.0435  0.7500  0.4868  1.0
  Nd  Nd1  4  0.0000  0.0000  0.0000  1.0
  O  O2  8  0.1845  0.0774  0.6820  1.0
  O  O3  4  0.0789  0.2500  0.1460  1.0
]