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 [5.2953]
_cell_length_b [5.6621]
_cell_length_c [5.4892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [LaNbO4]
_chemical_formula_sum '[La2 Nb2 O8]'
_cell_volume [163.6179]
_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  0.0000  0.2405  0.7500  1
  Nb  Nb1  2  0.5000  0.3086  0.2500  1
  O  O2  4  0.2580  0.0919  0.1098  1
  O  O3  4  0.2730  0.4404  0.4853  1
]