data_[Li2Nb2W2O12]
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
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [4.7745]
_cell_length_b [4.7745]
_cell_length_c [9.4303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [113]
_chemical_formula_structural [LiNbWO6]
_chemical_formula_sum '[Li2 Nb2 W2 O12]'
_cell_volume [214.9750]
_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  2  0.0000  0.5000  0.4255  1.0
  Nb  Nb1  2  0.0000  0.5000  0.0920  1.0
  W  W2  2  0.0000  0.5000  0.7336  1.0
  O  O3  4  0.1949  0.3051  0.9195  1.0
  O  O4  4  0.2000  0.3000  0.6090  1.0
  O  O5  4  0.2125  0.2875  0.2271  1.0
]