data_Ti3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   137.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3O5
_chemical_formula_sum   'Ti6 O10'
_cell_volume   182.25
_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  Ti10  1  0.9  0.55  0.57  1.0
  Ti  Ti11  1  0.9  0.13  0.48  1.0
  Ti  Ti12  1  0.9  0.55  0.38  1.0
  Ti  Ti13  1  0.9  0.45  0.52  1.0
  Ti  Ti14  1  0.9  0.87  0.43  1.0
  Ti  Ti15  1  0.9  0.45  0.33  1.0
  O  O0  1  0.9  0.26  0.67  1.0
  O  O1  1  0.9  0.67  0.23  1.0
  O  O2  1  0.9  0.59  0.48  1.0
  O  O3  1  0.9  0.67  0.72  1.0
  O  O4  1  0.9  0.26  0.28  1.0
  O  O5  1  0.9  0.74  0.62  1.0
  O  O6  1  0.9  0.33  0.18  1.0
  O  O7  1  0.9  0.41  0.43  1.0
  O  O8  1  0.9  0.33  0.67  1.0
  O  O9  1  0.9  0.74  0.23  1.0

data_Ti3O5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.81
_cell_length_b   5.2
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.5
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ti3O5
_chemical_formula_sum   'Ti6 O10'
_cell_volume   182.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.13  0.63  0.98  1.0
  Ti  Ti1  2  0.45  0.95  0.12  1.0
  Ti  Ti2  2  0.45  0.95  0.93  1.0
  O  O3  2  0.26  0.76  0.17  1.0
  O  O4  2  0.26  0.76  0.78  1.0
  O  O5  2  0.33  0.83  0.27  1.0
  O  O6  2  0.33  0.83  0.78  1.0
  O  O7  2  0.41  0.91  0.02  1.0

Ti Ti Ti Ti Ti Ti O O O O O O O O O O
Ti Ti Ti Ti Ti Ti O O O O O O O O O O 0 3 o o o 0 8 o o o 0 11 o o o 1 13 o o o 1 3 o o o 1 4 o - o 2 5 o o o 2 13 o o o 2 4 o o o 2 8 o o o 3 8 o o o 3 13 o o o 4 8 o o o 5 10 o o o 5 13 o o o 6 14 o o o 7 15 o o o 9 11 o o o 10 12 o o o 