# generated using pymatgen data_ZrTi2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65162662 _cell_length_b 4.65162662 _cell_length_c 6.71452900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000881 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTi2O _chemical_formula_sum 'Zr2 Ti4 O2' _cell_volume 125.82178477 _cell_formula_units_Z 2 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 Zr Zr0 1 0.00000000 0.00000000 0.50000000 1.0 Zr Zr1 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti2 1 0.66666700 0.33333300 0.71633500 1.0 Ti Ti3 1 0.33333300 0.66666700 0.28366500 1.0 Ti Ti4 1 0.33333300 0.66666700 0.71633500 1.0 Ti Ti5 1 0.66666700 0.33333300 0.28366500 1.0 O O6 1 0.33333300 0.66666700 0.00000000 1.0 O O7 1 0.66666700 0.33333300 0.00000000 1.0