# generated using pymatgen
data_TiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89469779
_cell_length_b   5.89469779
_cell_length_c   5.89469814
_cell_angle_alpha   61.42898102
_cell_angle_beta   61.42898102
_cell_angle_gamma   61.42898117
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiO2
_chemical_formula_sum   'Ti4 O8'
_cell_volume   149.48184460
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.24234800  0.24234800  0.24234800  1.0
  Ti  Ti1  1  0.63103600  0.09923700  0.63103600  1.0
  Ti  Ti2  1  0.63103600  0.63103600  0.09923700  1.0
  Ti  Ti3  1  0.09923700  0.63103600  0.63103600  1.0
  O  O4  1  0.87017100  0.36540600  0.36540600  1.0
  O  O5  1  0.36540600  0.36540600  0.87017100  1.0
  O  O6  1  0.36540600  0.87017100  0.36540600  1.0
  O  O7  1  0.38226100  0.38226100  0.38226100  1.0
  O  O8  1  0.86524700  0.86524700  0.86524700  1.0
  O  O9  1  0.87367600  0.42305100  0.87367600  1.0
  O  O10  1  0.87367600  0.87367600  0.42305100  1.0
  O  O11  1  0.42305100  0.87367600  0.87367600  1.0