data_[Li16Nb4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.4485]
_cell_length_b [7.0470]
_cell_length_c [6.4840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li4NbO4]
_chemical_formula_sum '[Li16 Nb4 O16]'
_cell_volume [386.0300]
_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
[
  Li  Li0  8  0.1421  0.2817  0.7500  1.0
  Li  Li1  8  0.1555  0.0000  0.0000  1.0
  Nb  Nb2  4  0.0000  0.3451  0.2500  1.0
  O  O3  8  0.0000  0.2179  0.5132  1.0
  O  O4  8  0.2170  0.4467  0.2500  1.0
]