# generated using pymatgen
data_LiTi3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.56642770
_cell_length_b   8.82978628
_cell_length_c   5.40419025
_cell_angle_alpha   80.55938847
_cell_angle_beta   65.57402578
_cell_angle_gamma   33.86658575
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi3O6
_chemical_formula_sum   'Li2 Ti6 O12'
_cell_volume   216.66562792
_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  1  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.75000000  0.75000000  0.75000000  1
  Ti  Ti2  1  0.58104400  0.58104400  0.91895600  1
  Ti  Ti3  1  0.66895600  0.66895600  0.33104400  1
  Ti  Ti4  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti5  1  0.91895600  0.91895600  0.58104400  1
  Ti  Ti6  1  0.33104400  0.33104400  0.66895600  1
  Ti  Ti7  1  0.25000000  0.25000000  0.25000000  1
  O  O8  1  0.46090800  0.87712500  0.10854000  1
  O  O9  1  0.87712500  0.46090800  0.55342700  1
  O  O10  1  0.78909200  0.37287500  0.14146000  1
  O  O11  1  0.21835200  0.78164800  0.21835200  1
  O  O12  1  0.37287500  0.78909200  0.69657300  1
  O  O13  1  0.69657300  0.14146000  0.37287500  1
  O  O14  1  0.10854000  0.55342700  0.46090800  1
  O  O15  1  0.78164800  0.21835200  0.78164800  1
  O  O16  1  0.14146000  0.69657300  0.78909200  1
  O  O17  1  0.46835200  0.03164800  0.46835200  1
  O  O18  1  0.55342700  0.10854000  0.87712500  1
  O  O19  1  0.03164800  0.46835200  0.03164800  1
