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 [5.5848]
_cell_length_b [5.5848]
_cell_length_c [15.2369]
_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 [411.5658]
_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  0.2273  1
  Y  Y1  3  0.0000  0.0000  0.4769  1
  Y  Y2  3  0.0000  0.0000  0.9746  1
  Nb  Nb3  3  0.0000  0.0000  0.6814  1
  O  O4  9  0.0113  0.3695  0.4060  1
  O  O5  9  0.0560  0.6771  0.2533  1
]