# generated using pymatgen data_TiNb2Zn2O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.13845897 _cell_length_b 10.13845897 _cell_length_c 5.29644177 _cell_angle_alpha 89.57708983 _cell_angle_beta 89.57708983 _cell_angle_gamma 34.01041828 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNb2Zn2O8 _chemical_formula_sum 'Ti2 Nb4 Zn4 O16' _cell_volume 304.50460600 _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 Ti Ti0 1 0.36688500 0.63311500 0.75000000 1.0 Ti Ti1 1 0.63311500 0.36688500 0.25000000 1.0 Nb Nb2 1 0.73896500 0.03314200 0.76999800 1.0 Nb Nb3 1 0.96685800 0.26103500 0.73000200 1.0 Nb Nb4 1 0.26103500 0.96685800 0.23000200 1.0 Nb Nb5 1 0.03314200 0.73896500 0.26999800 1.0 Zn Zn6 1 0.56916900 0.87154900 0.73447400 1.0 Zn Zn7 1 0.12845100 0.43083100 0.76552600 1.0 Zn Zn8 1 0.43083100 0.12845100 0.26552600 1.0 Zn Zn9 1 0.87154900 0.56916900 0.23447400 1.0 O O10 1 0.79796800 0.07155300 0.41272100 1.0 O O11 1 0.92844700 0.20203200 0.08727900 1.0 O O12 1 0.20203200 0.92844700 0.58727900 1.0 O O13 1 0.07155300 0.79796800 0.91272100 1.0 O O14 1 0.56645300 0.32393900 0.92063400 1.0 O O15 1 0.67606100 0.43354700 0.57936600 1.0 O O16 1 0.43354700 0.67606100 0.07936600 1.0 O O17 1 0.32393900 0.56645300 0.42063400 1.0 O O18 1 0.71845600 0.92651700 0.07354200 1.0 O O19 1 0.07348300 0.28154400 0.42645800 1.0 O O20 1 0.15651200 0.45760800 0.14302500 1.0 O O21 1 0.54239200 0.84348800 0.35697500 1.0 O O22 1 0.84348800 0.54239200 0.85697500 1.0 O O23 1 0.45760800 0.15651200 0.64302500 1.0 O O24 1 0.92651700 0.71845600 0.57354200 1.0 O O25 1 0.28154400 0.07348300 0.92645800 1.0