data_[Ba3Li1Ti3O8]
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
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7841]
_cell_length_b [6.0789]
_cell_length_c [7.3621]
_cell_angle_alpha [81.9975]
_cell_angle_beta [85.0195]
_cell_angle_gamma [61.7095]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba3LiTi3O8]
_chemical_formula_sum '[Ba3 Li1 Ti3 O8]'
_cell_volume [225.6562]
_cell_formula_units_Z [1]
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  1  0.0070  0.9759  0.0191  1
  Ba  Ba1  1  0.3530  0.3553  0.6728  1
  Ba  Ba2  1  0.6667  0.5758  0.2851  1
  Li  Li3  1  0.7159  0.8860  0.4895  1
  Ti  Ti4  1  0.0993  0.9660  0.5127  1
  Ti  Ti5  1  0.3517  0.2766  0.1346  1
  Ti  Ti6  1  0.6872  0.6843  0.8463  1
  O  O7  1  0.1203  0.7190  0.3743  1
  O  O8  1  0.1307  0.1848  0.3140  1
  O  O9  1  0.4161  0.8453  0.6297  1
  O  O10  1  0.4855  0.9959  0.9969  1
  O  O11  1  0.4871  0.4977  0.9815  1
  O  O12  1  0.6077  0.1701  0.3112  1
  O  O13  1  0.8732  0.8889  0.6968  1
  O  O14  1  0.9987  0.4888  0.9852  1
]