data_[Ba2Li2Nb2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2_1/m]
_cell_length_a [6.6604]
_cell_length_b [6.0192]
_cell_length_c [7.3149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLiNbO4]
_chemical_formula_sum '[Ba2 Li2 Nb2 O8]'
_cell_volume [269.0631]
_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
[
  Ba  Ba0  2  0.2640  0.7500  0.0080  1.0
  Li  Li1  2  0.2015  0.7500  0.3994  1.0
  Nb  Nb2  2  0.2983  0.2500  0.3229  1.0
  O  O3  4  0.0984  0.0109  0.2489  1.0
  O  O4  2  0.4443  0.2500  0.1494  1.0
  O  O5  2  0.4961  0.2500  0.5908  1.0
]