data_[Li3Y6Nb3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5803]
_cell_length_b [5.5803]
_cell_length_c [15.2161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiY2NbO6]
_chemical_formula_sum '[Li3 Y6 Nb3 O18]'
_cell_volume [410.3472]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.7726  1.0
  Y  Y1  3  0.0000  0.0000  0.0256  1.0
  Y  Y2  3  0.0000  0.0000  0.5228  1.0
  Nb  Nb3  3  0.0000  0.0000  0.3188  1.0
  O  O4  9  0.0114  0.7230  0.4133  1.0
  O  O5  9  0.0366  0.3447  0.9274  1.0
]