# generated using pymatgen
data_Li6Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86292600
_cell_length_b   5.13627300
_cell_length_c   9.94922993
_cell_angle_alpha   69.14492180
_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   279.97792729
_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  0.78334500  0.22594000  0.13597600  1
  Li  Li1  1  0.22946400  0.23241800  0.13221500  1
  Li  Li2  1  0.50261300  0.81507300  0.12860300  1
  Li  Li3  1  0.00261300  0.18492700  0.37139700  1
  Li  Li4  1  0.72946400  0.76758200  0.36778500  1
  Li  Li5  1  0.28334500  0.77406000  0.36402400  1
  Li  Li6  1  0.71665500  0.22594000  0.63597600  1
  Li  Li7  1  0.27053600  0.23241800  0.63221500  1
  Li  Li8  1  0.99738700  0.81507300  0.62860300  1
  Li  Li9  1  0.49738700  0.18492700  0.87139700  1
  Li  Li10  1  0.77053600  0.76758200  0.86778500  1
  Li  Li11  1  0.21665500  0.77406000  0.86402400  1
  Ti  Ti12  1  0.00589400  0.73865900  0.13538400  1
  Ti  Ti13  1  0.50589400  0.26134100  0.36461600  1
  Ti  Ti14  1  0.49410600  0.73865900  0.63538400  1
  Ti  Ti15  1  0.99410600  0.26134100  0.86461600  1
  O  O16  1  0.00000000  0.50000000  0.00000000  1
  O  O17  1  0.77250900  0.99536400  0.00204700  1
  O  O18  1  0.50641400  0.05327600  0.24513500  1
  O  O19  1  0.26262600  0.50627000  0.24461600  1
  O  O20  1  0.76262600  0.49373000  0.25538400  1
  O  O21  1  0.00641400  0.94672400  0.25486500  1
  O  O22  1  0.27250900  0.00463600  0.49795300  1
  O  O23  1  0.50000000  0.50000000  0.50000000  1
  O  O24  1  0.72749100  0.99536400  0.50204700  1
  O  O25  1  0.99358600  0.05327600  0.74513500  1
  O  O26  1  0.23737400  0.50627000  0.74461600  1
  O  O27  1  0.73737400  0.49373000  0.75538400  1
  O  O28  1  0.49358600  0.94672400  0.75486500  1
  O  O29  1  0.22749100  0.00463600  0.99795300  1
