# generated using pymatgen data_Ti9Zn2O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15219870 _cell_length_b 5.15219870 _cell_length_c 16.70984561 _cell_angle_alpha 81.03293893 _cell_angle_beta 81.03293893 _cell_angle_gamma 33.38171425 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti9Zn2O13 _chemical_formula_sum 'Ti9 Zn2 O13' _cell_volume 240.80319954 _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 0.50000000 0.50000000 0.50000000 1.0 Ti Ti1 1 0.34635300 0.34635300 0.03621900 1.0 Ti Ti2 1 0.65364700 0.65364700 0.96378100 1.0 Ti Ti3 1 0.23619500 0.23619500 0.42519200 1.0 Ti Ti4 1 0.76380500 0.76380500 0.57480800 1.0 Ti Ti5 1 0.06897800 0.06897800 0.11714000 1.0 Ti Ti6 1 0.93102200 0.93102200 0.88286000 1.0 Ti Ti7 1 0.01039300 0.01039300 0.33670400 1.0 Ti Ti8 1 0.98960700 0.98960700 0.66329600 1.0 Zn Zn9 1 0.78578700 0.78578700 0.22859900 1.0 Zn Zn10 1 0.21421300 0.21421300 0.77140100 1.0 O O11 1 0.00000000 0.00000000 0.00000000 1.0 O O12 1 0.13148400 0.13148400 0.22944500 1.0 O O13 1 0.86851600 0.86851600 0.77055500 1.0 O O14 1 0.71389700 0.71389700 0.08613900 1.0 O O15 1 0.28610300 0.28610300 0.91386100 1.0 O O16 1 0.42032300 0.42032300 0.14658300 1.0 O O17 1 0.57967700 0.57967700 0.85341700 1.0 O O18 1 0.37313200 0.37313200 0.31353600 1.0 O O19 1 0.62686800 0.62686800 0.68646400 1.0 O O20 1 0.62680700 0.62680700 0.37790600 1.0 O O21 1 0.37319300 0.37319300 0.62209400 1.0 O O22 1 0.87716300 0.87716300 0.45139500 1.0 O O23 1 0.12283700 0.12283700 0.54860500 1.0