# generated using pymatgen
data_Li2Ti3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.58952773
_cell_length_b   9.02317543
_cell_length_c   5.18007067
_cell_angle_alpha   79.96333122
_cell_angle_beta   67.90185076
_cell_angle_gamma   32.13481802
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ti3O6
_chemical_formula_sum   'Li4 Ti6 O12'
_cell_volume   211.22258242
_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  0.83099900  0.83099900  0.16900100  1
  Li  Li1  1  0.08099900  0.08099900  0.41900100  1
  Li  Li2  1  0.16900100  0.16900100  0.83099900  1
  Li  Li3  1  0.41900100  0.41900100  0.08099900  1
  Ti  Ti4  1  0.25000000  0.25000000  0.25000000  1
  Ti  Ti5  1  0.33510300  0.33510300  0.66489700  1
  Ti  Ti6  1  0.66489700  0.66489700  0.33510300  1
  Ti  Ti7  1  0.58510300  0.58510300  0.91489700  1
  Ti  Ti8  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti9  1  0.91489700  0.91489700  0.58510300  1
  O  O10  1  0.10103400  0.57051400  0.41717100  1
  O  O11  1  0.57051400  0.10103400  0.91128100  1
  O  O12  1  0.48637800  0.01362200  0.48637800  1
  O  O13  1  0.91128100  0.41717100  0.57051400  1
  O  O14  1  0.01362200  0.48637800  0.01362200  1
  O  O15  1  0.33871900  0.83282900  0.67948600  1
  O  O16  1  0.76362200  0.23637800  0.76362200  1
  O  O17  1  0.41717100  0.91128100  0.10103400  1
  O  O18  1  0.83282900  0.33871900  0.14896600  1
  O  O19  1  0.14896600  0.67948600  0.83282900  1
  O  O20  1  0.23637800  0.76362200  0.23637800  1
  O  O21  1  0.67948600  0.14896600  0.33871900  1
