data_[La2Nb2O8]
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 [P2/c]
_cell_length_a [5.3325]
_cell_length_b [5.7701]
_cell_length_c [5.5453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [LaNbO4]
_chemical_formula_sum '[La2 Nb2 O8]'
_cell_volume [169.7232]
_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
[
  La  La0  2  0.5000  0.2595  0.2500  1.0
  Nb  Nb1  2  0.0000  0.1906  0.7500  1.0
  O  O2  4  0.2270  0.0610  0.5150  1.0
  O  O3  4  0.2403  0.4034  0.8910  1.0
]