# generated using pymatgen data_Hf3Ti2Si3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67538131 _cell_length_b 7.67538118 _cell_length_c 5.26211153 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000477 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Ti2Si3O _chemical_formula_sum 'Hf6 Ti4 Si6 O2' _cell_volume 268.46679167 _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 Hf Hf0 1 0.24593541 1.00000000 0.25000000 1.0 Hf Hf1 1 0.75406459 0.00000000 0.75000000 1.0 Hf Hf2 1 1.00000000 0.24593541 0.25000000 1.0 Hf Hf3 1 0.00000000 0.75406459 0.75000000 1.0 Hf Hf4 1 0.75406459 0.75406459 0.25000000 1.0 Hf Hf5 1 0.24593541 0.24593541 0.75000000 1.0 Ti Ti6 1 0.33333300 0.66666700 0.00000000 1.0 Ti Ti7 1 0.66666700 0.33333300 0.00000000 1.0 Ti Ti8 1 0.66666700 0.33333300 0.50000000 1.0 Ti Ti9 1 0.33333300 0.66666700 0.50000000 1.0 Si Si10 1 0.59432707 0.00000000 0.25000000 1.0 Si Si11 1 0.40567293 1.00000000 0.75000000 1.0 Si Si12 1 0.00000000 0.59432707 0.25000000 1.0 Si Si13 1 1.00000000 0.40567293 0.75000000 1.0 Si Si14 1 0.40567293 0.40567293 0.25000000 1.0 Si Si15 1 0.59432707 0.59432707 0.75000000 1.0 O O16 1 0.00000000 0.00000000 0.00000000 1.0 O O17 1 0.00000000 0.00000000 0.50000000 1.0