# generated using pymatgen
data_HfTi2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76594374
_cell_length_b   4.76594489
_cell_length_c   3.01229906
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.27164390
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2O
_chemical_formula_sum   'Hf1 Ti2 O1'
_cell_volume   57.85262588
_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
  Hf  Hf0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.67328244  0.32671756  0.50000000  1.0
  Ti  Ti2  1  0.32671756  0.67328244  0.50000000  1.0
  O  O3  1  0.50000000  0.50000000  0.00000000  1.0