# generated using pymatgen
data_Li6Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.08878400
_cell_length_b   10.08878400
_cell_length_c   2.96324100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Ti2O7
_chemical_formula_sum   'Li12 Ti4 O14'
_cell_volume   301.60922582
_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  0.30016000  0.10790700  0.03175200  1
  Li  Li1  1  0.08507600  0.08507600  0.53525100  1
  Li  Li2  1  0.60790700  0.19984000  0.53175200  1
  Li  Li3  1  0.10790700  0.30016000  0.03175200  1
  Li  Li4  1  0.58507600  0.41492400  0.03525100  1
  Li  Li5  1  0.80016000  0.39209300  0.53175200  1
  Li  Li6  1  0.19984000  0.60790700  0.53175200  1
  Li  Li7  1  0.41492400  0.58507600  0.03525100  1
  Li  Li8  1  0.89209300  0.69984000  0.03175200  1
  Li  Li9  1  0.39209300  0.80016000  0.53175200  1
  Li  Li10  1  0.91492400  0.91492400  0.53525100  1
  Li  Li11  1  0.69984000  0.89209300  0.03175200  1
  Ti  Ti12  1  0.84710200  0.15289800  0.04814700  1
  Ti  Ti13  1  0.34710200  0.34710200  0.54814700  1
  Ti  Ti14  1  0.65289800  0.65289800  0.54814700  1
  Ti  Ti15  1  0.15289800  0.84710200  0.04814700  1
  O  O16  1  0.00000000  0.00000000  0.03522100  1
  O  O17  1  0.75547800  0.05318700  0.53011700  1
  O  O18  1  0.44681300  0.25547800  0.03011700  1
  O  O19  1  0.21831100  0.21831100  0.53177900  1
  O  O20  1  0.71831100  0.28168900  0.03177900  1
  O  O21  1  0.94681300  0.24452200  0.53011700  1
  O  O22  1  0.25547800  0.44681300  0.03011700  1
  O  O23  1  0.50000000  0.50000000  0.53522100  1
  O  O24  1  0.74452200  0.55318700  0.03011700  1
  O  O25  1  0.05318700  0.75547800  0.53011700  1
  O  O26  1  0.28168900  0.71831100  0.03177900  1
  O  O27  1  0.78168900  0.78168900  0.53177900  1
  O  O28  1  0.55318700  0.74452200  0.03011700  1
  O  O29  1  0.24452200  0.94681300  0.53011700  1
