# generated using pymatgen
data_LiTi3O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27377196
_cell_length_b   7.27377196
_cell_length_c   5.00309931
_cell_angle_alpha   87.54819484
_cell_angle_beta   87.54819484
_cell_angle_gamma   23.50127670
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi3O6
_chemical_formula_sum   'Li1 Ti3 O6'
_cell_volume   105.45457935
_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
  Li  Li0  1  0.21380500  0.21380500  0.93510400  1
  Ti  Ti1  1  0.65202700  0.65202700  0.46972900  1
  Ti  Ti2  1  0.99636500  0.99636500  0.99987500  1
  Ti  Ti3  1  0.34675900  0.34675900  0.52069300  1
  O  O4  1  0.90436200  0.90436200  0.31370100  1
  O  O5  1  0.76865300  0.76865300  0.70996600  1
  O  O6  1  0.56962100  0.56962100  0.17551600  1
  O  O7  1  0.43212500  0.43212500  0.81621100  1
  O  O8  1  0.22858600  0.22858600  0.30297500  1
  O  O9  1  0.09989500  0.09989500  0.69593100  1
