# generated using pymatgen
data_Li4TiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38594575
_cell_length_b   5.38594588
_cell_length_c   6.10530546
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.97097094
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TiO4
_chemical_formula_sum   'Li8 Ti2 O8'
_cell_volume   176.68003549
_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  0.15873388  0.84126612  -0.00000000  1
  Li  Li1  1  0.84126612  0.15873388  0.50000000  1
  Li  Li2  1  0.84126612  0.15873388  -0.00000000  1
  Li  Li3  1  0.15873388  0.84126612  0.50000000  1
  Li  Li4  1  0.58522393  0.87822824  0.25000000  1
  Li  Li5  1  0.41477607  0.12177176  0.75000000  1
  Li  Li6  1  0.87822824  0.58522393  0.25000000  1
  Li  Li7  1  0.12177176  0.41477607  0.75000000  1
  Ti  Ti8  1  0.34143028  0.34143028  0.25000000  1
  Ti  Ti9  1  0.65856972  0.65856972  0.75000000  1
  O  O10  1  0.27071655  0.66892913  0.25000000  1
  O  O11  1  0.72928345  0.33107087  0.75000000  1
  O  O12  1  0.20278088  0.20278088  0.00041859  1
  O  O13  1  0.79721912  0.79721912  0.50041859  1
  O  O14  1  0.20278088  0.20278088  0.49958141  1
  O  O15  1  0.79721912  0.79721912  0.99958141  1
  O  O16  1  0.66892913  0.27071655  0.25000000  1
  O  O17  1  0.33107087  0.72928345  0.75000000  1
