# generated using pymatgen
data_Ba3LiTi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85113891
_cell_length_b   5.72130938
_cell_length_c   7.08951112
_cell_angle_alpha   88.79880907
_cell_angle_beta   89.15880742
_cell_angle_gamma   120.11561696
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3LiTi3O8
_chemical_formula_sum   'Ba3 Li1 Ti3 O8'
_cell_volume   205.16143353
_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  0.05767484  0.02176889  0.03031359  1
  Ba  Ba1  1  0.27611377  0.64548898  0.63670700  1
  Ba  Ba2  1  0.66659739  0.33338146  0.33335395  1
  Li  Li3  1  0.66766122  0.83307286  0.83346359  1
  Ti  Ti4  1  0.98301517  0.01081804  0.51488409  1
  Ti  Ti5  1  0.35031758  0.65610138  0.15180029  1
  Ti  Ti6  1  0.66683666  0.33334671  0.83342628  1
  O  O7  1  0.01687321  0.51034058  0.00424274  1
  O  O8  1  0.16642748  0.33336975  0.33334633  1
  O  O9  1  0.51248925  0.99574328  0.99756959  1
  O  O10  1  0.66640569  0.83331255  0.33327637  1
  O  O11  1  0.31587577  0.15615491  0.66213814  1
  O  O12  1  0.51620182  0.51250744  0.99483400  1
  O  O13  1  0.82070678  0.67072097  0.66890586  1
  O  O14  1  0.81680138  0.15387418  0.67177319  1
