# generated using pymatgen
data_LiTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95518900
_cell_length_b   5.11262000
_cell_length_c   9.76571500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2O4
_chemical_formula_sum   'Li2 Ti4 O8'
_cell_volume   147.54782839
_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  0.00000000  0.31259000  0.96695900  1.0
  Li  Li1  1  0.00000000  0.68741000  0.46695900  1.0
  Ti  Ti2  1  0.50000000  0.77310000  0.85660400  1.0
  Ti  Ti3  1  0.50000000  0.22690000  0.35660400  1.0
  Ti  Ti4  1  0.00000000  0.26580000  0.63828600  1.0
  Ti  Ti5  1  0.00000000  0.73420000  0.13828600  1.0
  O  O6  1  0.50000000  0.94539600  0.22277700  1.0
  O  O7  1  0.00000000  0.94716100  0.96529800  1.0
  O  O8  1  0.00000000  0.05283900  0.46529800  1.0
  O  O9  1  0.50000000  0.05460400  0.72277700  1.0
  O  O10  1  0.00000000  0.46059900  0.28471300  1.0
  O  O11  1  0.50000000  0.46120600  0.53408300  1.0
  O  O12  1  0.50000000  0.53879400  0.03408300  1.0
  O  O13  1  0.00000000  0.53940100  0.78471300  1.0