data_[Li4Nb4O12]
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 [C2/m]
_cell_length_a [5.1326]
_cell_length_b [9.7414]
_cell_length_c [5.1470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiNbO3]
_chemical_formula_sum '[Li4 Nb4 O12]'
_cell_volume [250.0276]
_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  4  0.0000  0.1617  0.0000  1
  Nb  Nb1  4  0.0000  0.3477  0.5000  1
  O  O2  8  0.2398  0.2888  0.2627  1
  O  O3  4  0.2010  0.5000  0.7103  1
]