data_[La12Nb4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.6259]
_cell_length_b [11.7159]
_cell_length_c [5.8670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La3NbO6]
_chemical_formula_sum '[La12 Nb4 O24]'
_cell_volume [661.6656]
_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  8  0.1912  0.0951  0.4720  1
  La  La1  4  0.0000  0.3974  0.4332  1
  Nb  Nb2  4  0.0000  0.1819  0.9986  1
  O  O3  8  0.1479  0.2537  0.1762  1
  O  O4  8  0.1528  0.4872  0.7047  1
  O  O5  4  0.0000  0.0244  0.1697  1
  O  O6  4  0.0000  0.2172  0.6782  1
]