# generated using pymatgen data_Ti5Zn4(TeO6)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88610573 _cell_length_b 8.88610573 _cell_length_c 10.80906264 _cell_angle_alpha 88.25443579 _cell_angle_beta 88.25443579 _cell_angle_gamma 62.30893528 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5Zn4(TeO6)3 _chemical_formula_sum 'Ti10 Zn8 Te6 O36' _cell_volume 755.27938563 _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 0.31056700 0.00657900 0.71937700 1.0 Ti Ti1 1 0.00657900 0.31056700 0.21937700 1.0 Ti Ti2 1 0.13456900 0.54473600 0.05390300 1.0 Ti Ti3 1 0.54473600 0.13456900 0.55390300 1.0 Ti Ti4 1 0.45526400 0.86543100 0.44609700 1.0 Ti Ti5 1 0.85014800 0.14985200 0.75000000 1.0 Ti Ti6 1 0.14985200 0.85014800 0.25000000 1.0 Ti Ti7 1 0.86543100 0.45526400 0.94609700 1.0 Ti Ti8 1 0.68943300 0.99342100 0.28062300 1.0 Ti Ti9 1 0.99342100 0.68943300 0.78062300 1.0 Zn Zn10 1 0.34395400 0.05715800 0.06744500 1.0 Zn Zn11 1 0.39555800 0.68352300 0.95300300 1.0 Zn Zn12 1 0.94284200 0.65604600 0.43255500 1.0 Zn Zn13 1 0.31647700 0.60444200 0.54699700 1.0 Zn Zn14 1 0.68352300 0.39555800 0.45300300 1.0 Zn Zn15 1 0.05715800 0.34395400 0.56744500 1.0 Zn Zn16 1 0.65604600 0.94284200 0.93255500 1.0 Zn Zn17 1 0.60444200 0.31647700 0.04699700 1.0 Te Te18 1 0.65964900 0.65543000 0.69290900 1.0 Te Te19 1 0.00000000 0.00000000 0.00000000 1.0 Te Te20 1 0.00000000 0.00000000 0.50000000 1.0 Te Te21 1 0.65543000 0.65964900 0.19290900 1.0 Te Te22 1 0.34035100 0.34457000 0.30709100 1.0 Te Te23 1 0.34457000 0.34035100 0.80709100 1.0 O O24 1 0.91716200 0.59992700 0.61965500 1.0 O O25 1 0.25943100 0.95067100 0.55211900 1.0 O O26 1 0.36624300 0.80558600 0.31843100 1.0 O O27 1 0.90355700 0.90890100 0.24668900 1.0 O O28 1 0.04932900 0.74056900 0.94788100 1.0 O O29 1 0.09109900 0.09644300 0.25331100 1.0 O O30 1 0.63084000 0.53821900 0.02872600 1.0 O O31 1 0.87883100 0.26891500 0.56599500 1.0 O O32 1 0.12116900 0.73108500 0.43400500 1.0 O O33 1 0.22921900 0.29492100 0.14453600 1.0 O O34 1 0.42620400 0.77382500 0.78865200 1.0 O O35 1 0.77078100 0.70507900 0.85546400 1.0 O O36 1 0.74056900 0.04932900 0.44788100 1.0 O O37 1 0.56426600 0.89914000 0.61568600 1.0 O O38 1 0.22617500 0.57379600 0.71134800 1.0 O O39 1 0.36916000 0.46178100 0.97127400 1.0 O O40 1 0.57379600 0.22617500 0.21134800 1.0 O O41 1 0.10086000 0.43573400 0.88431400 1.0 O O42 1 0.19441400 0.63375700 0.18156900 1.0 O O43 1 0.77382500 0.42620400 0.28865200 1.0 O O44 1 0.59992700 0.91716200 0.11965500 1.0 O O45 1 0.43573400 0.10086000 0.38431400 1.0 O O46 1 0.73108500 0.12116900 0.93400500 1.0 O O47 1 0.53821900 0.63084000 0.52872600 1.0 O O48 1 0.63375700 0.19441400 0.68156900 1.0 O O49 1 0.90890100 0.90355700 0.74668900 1.0 O O50 1 0.29492100 0.22921900 0.64453600 1.0 O O51 1 0.46178100 0.36916000 0.47127400 1.0 O O52 1 0.95067100 0.25943100 0.05211900 1.0 O O53 1 0.89914000 0.56426600 0.11568600 1.0 O O54 1 0.08283800 0.40007300 0.38034500 1.0 O O55 1 0.09644300 0.09109900 0.75331100 1.0 O O56 1 0.26891500 0.87883100 0.06599500 1.0 O O57 1 0.70507900 0.77078100 0.35546400 1.0 O O58 1 0.80558600 0.36624300 0.81843100 1.0 O O59 1 0.40007300 0.08283800 0.88034500 1.0