data_[Li6Nb2O8]
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 [Pmn2_1]
_cell_length_a [6.5784]
_cell_length_b [5.6678]
_cell_length_c [5.0299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li3NbO4]
_chemical_formula_sum '[Li6 Nb2 O8]'
_cell_volume [187.5417]
_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
[
  Li  Li0  4  0.2466  0.6619  0.0117  1.0
  Li  Li1  2  0.0000  0.8186  0.5103  1.0
  Nb  Nb2  2  0.0000  0.1644  0.0048  1.0
  O  O3  4  0.2359  0.3248  0.1157  1.0
  O  O4  2  0.0000  0.1667  0.6305  1.0
  O  O5  2  0.0000  0.8473  0.1150  1.0
]