# generated using pymatgen
data_TiO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13376482
_cell_length_b   5.09789144
_cell_length_c   5.84806556
_cell_angle_alpha   105.93539201
_cell_angle_beta   90.00380888
_cell_angle_gamma   113.91901454
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiO
_chemical_formula_sum   'Ti5 O5'
_cell_volume   107.45292723
_cell_formula_units_Z   5
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  0.64451040  0.28910452  0.32817270  1.0
  Ti  Ti1  1  0.35548960  0.71089548  0.67182730  1.0
  Ti  Ti2  1  0.65828683  0.31656889  0.82185403  1.0
  Ti  Ti3  1  0.34171317  0.68343111  0.17814597  1.0
  Ti  Ti4  1  0.00000000  -0.00000000  0.50000000  1.0
  O  O5  1  0.50000000  -0.00000000  -0.00000000  1.0
  O  O6  1  0.82331507  0.64660941  0.16915929  1.0
  O  O7  1  0.17668493  0.35339059  0.83084071  1.0
  O  O8  1  0.82583136  0.65151994  0.65334927  1.0
  O  O9  1  0.17416864  0.34848006  0.34665073  1.0