# generated using pymatgen
data_LiTi2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96024085
_cell_length_b   5.96024085
_cell_length_c   5.96024085
_cell_angle_alpha   120.19782629
_cell_angle_beta   119.58269318
_cell_angle_gamma   90.19100382
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi2O4
_chemical_formula_sum   'Li2 Ti4 O8'
_cell_volume   149.96089196
_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  0.50000000  0.00000000  0.00000000  1
  Ti  Ti2  1  0.50000000  0.00000000  0.50000000  1
  Ti  Ti3  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti4  1  0.00000000  0.50000000  0.00000000  1
  Ti  Ti5  1  0.00000000  0.00000000  0.50000000  1
  O  O6  1  0.21992800  0.23724000  0.98268800  1
  O  O7  1  0.75455200  0.23724000  0.51731200  1
  O  O8  1  0.23978300  0.21160200  0.47181800  1
  O  O9  1  0.76021700  0.23203500  0.97181800  1
  O  O10  1  0.23978300  0.76796500  0.02818200  1
  O  O11  1  0.76021700  0.78839800  0.52818200  1
  O  O12  1  0.24544800  0.76276000  0.48268800  1
  O  O13  1  0.78007200  0.76276000  0.01731200  1
