# generated using pymatgen
data_TiO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87331344
_cell_length_b   4.98908418
_cell_length_c   4.98908783
_cell_angle_alpha   119.99997739
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiO
_chemical_formula_sum   'Ti3 O3'
_cell_volume   61.93779157
_cell_formula_units_Z   3
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  0.50000000  0.33331800  0.66666800  1.0
  Ti  Ti1  1  0.50000000  0.66665100  0.33333200  1.0
  Ti  Ti2  1  -0.00000000  0.99998100  0.00000000  1.0
  O  O3  1  -0.00000000  0.39442076  -0.00000000  1.0
  O  O4  1  -0.00000000  0.60554424  0.60555924  1.0
  O  O5  1  0.00000000  0.99998500  0.39444076  1.0