# generated using pymatgen
data_Ba3LiTi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98547868
_cell_length_b   5.98549291
_cell_length_c   7.14109693
_cell_angle_alpha   85.65973335
_cell_angle_beta   94.34027496
_cell_angle_gamma   122.97708646
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3LiTi3O8
_chemical_formula_sum   'Ba3 Li1 Ti3 O8'
_cell_volume   213.82141430
_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  0.97025300  0.02974700  0.02872200  1
  Ba  Ba1  1  0.36306000  0.63693800  0.63797100  1
  Ba  Ba2  1  0.66666600  0.33333400  0.33331600  1
  Li  Li3  1  0.16667600  0.83332400  0.83334900  1
  Ti  Ti4  1  0.98281300  0.01718800  0.52086800  1
  Ti  Ti5  1  0.35051800  0.64948300  0.14580700  1
  Ti  Ti6  1  0.66666300  0.33333800  0.83333600  1
  O  O7  1  0.00659500  0.51205900  0.00002500  1
  O  O8  1  0.16667000  0.33333800  0.33333100  1
  O  O9  1  0.48794000  0.99340400  0.00002600  1
  O  O10  1  0.66666100  0.83333000  0.33333100  1
  O  O11  1  0.32674000  0.15459800  0.66664600  1
  O  O12  1  0.49847200  0.50152600  0.99817400  1
  O  O13  1  0.84540200  0.67326200  0.66664500  1
  O  O14  1  0.83486900  0.16513400  0.66848900  1
