# generated using pymatgen
data_TiO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81015880
_cell_length_b   2.81015875
_cell_length_c   2.82384869
_cell_angle_alpha   89.99999933
_cell_angle_beta   89.99999822
_cell_angle_gamma   120.00003969
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiO
_chemical_formula_sum   'Ti1 O1'
_cell_volume   19.31228213
_cell_formula_units_Z   1
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  0.33333310  0.66666686  0.49999998  1.0
  O  O1  1  0.66666690  0.33333314  0.00000002  1.0