data_[La4Nb4O16]
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 [3.9748]
_cell_length_b [14.9873]
_cell_length_c [5.7084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LaNbO4]
_chemical_formula_sum '[La4 Nb4 O16]'
_cell_volume [340.0576]
_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  0.0000  0.1762  0.6584  1.0
  Nb  Nb1  4  0.0000  0.4157  0.7115  1.0
  O  O2  4  0.0000  0.0890  0.2602  1.0
  O  O3  4  0.0000  0.2994  0.9249  1.0
  O  O4  4  0.0000  0.3376  0.4471  1.0
  O  O5  4  0.0000  0.4698  0.0646  1.0
]