# generated using pymatgen
data_TiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44550624
_cell_length_b   3.44550624
_cell_length_c   10.95230100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000457
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiO2
_chemical_formula_sum   'Ti2 O4'
_cell_volume   112.60095236
_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
  Ti  Ti0  1  0.66666700  0.33333300  0.75000000  1.0
  Ti  Ti1  1  0.33333300  0.66666700  0.25000000  1.0
  O  O2  1  0.33333300  0.66666700  0.40639300  1.0
  O  O3  1  0.66666700  0.33333300  0.90639300  1.0
  O  O4  1  0.33333300  0.66666700  0.09360700  1.0
  O  O5  1  0.66666700  0.33333300  0.59360700  1.0