# generated using pymatgen
data_Li6Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76870293
_cell_length_b   5.76870293
_cell_length_c   5.13153491
_cell_angle_alpha   72.15520432
_cell_angle_beta   72.15520432
_cell_angle_gamma   60.93870701
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Ti2O7
_chemical_formula_sum   'Li6 Ti2 O7'
_cell_volume   139.51448356
_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  0.07672000  0.64952300  0.27531000  1
  Li  Li1  1  0.63218200  0.09780800  0.26996800  1
  Li  Li2  1  0.36308800  0.37549200  0.68619300  1
  Li  Li3  1  0.62450800  0.63691200  0.31380700  1
  Li  Li4  1  0.90219200  0.36781800  0.73003200  1
  Li  Li5  1  0.35047700  0.92328000  0.72469000  1
  Ti  Ti6  1  0.85519300  0.87203200  0.76145300  1
  Ti  Ti7  1  0.12796800  0.14480700  0.23854700  1
  O  O8  1  0.99470300  0.00529700  0.00000000  1
  O  O9  1  0.21880600  0.78119400  0.50000000  1
  O  O10  1  0.24141400  0.26376300  0.44908100  1
  O  O11  1  0.48610000  0.01873300  0.99820000  1
  O  O12  1  0.98126700  0.51390000  0.00180000  1
  O  O13  1  0.73623700  0.75858600  0.55091900  1
  O  O14  1  0.76361700  0.23638300  0.50000000  1
