# generated using pymatgen
data_TiO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.64098645
_cell_length_b   17.64098645
_cell_length_c   17.64098645
_cell_angle_alpha   170.82689526
_cell_angle_beta   170.82689526
_cell_angle_gamma   12.98666012
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiO
_chemical_formula_sum   'Ti6 O6'
_cell_volume   139.51895523
_cell_formula_units_Z   6
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  0.57049700  0.57049700  0.00000000  1.0
  Ti  Ti1  1  0.13652300  0.13652300  0.00000000  1.0
  Ti  Ti2  1  0.28177800  0.28177800  0.00000000  1.0
  Ti  Ti3  1  0.71822200  0.71822200  0.00000000  1.0
  Ti  Ti4  1  0.86347700  0.86347700  0.00000000  1.0
  Ti  Ti5  1  0.42950300  0.42950300  0.00000000  1.0
  O  O6  1  0.79702400  0.79702400  0.00000000  1.0
  O  O7  1  0.34583400  0.34583400  0.00000000  1.0
  O  O8  1  0.94473700  0.94473700  0.00000000  1.0
  O  O9  1  0.05526300  0.05526300  0.00000000  1.0
  O  O10  1  0.65416600  0.65416600  0.00000000  1.0
  O  O11  1  0.20297600  0.20297600  0.00000000  1.0