# generated using pymatgen data_LiTa6O15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88527500 _cell_length_b 9.06232000 _cell_length_c 17.03378800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTa6O15 _chemical_formula_sum 'Li2 Ta12 O30' _cell_volume 599.75295289 _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 Li Li0 1 0.50000000 0.04707700 0.38269300 1.0 Li Li1 1 0.50000000 0.95292300 0.88269300 1.0 Ta Ta2 1 0.00000000 0.80206400 0.43959700 1.0 Ta Ta3 1 0.00000000 0.17918000 0.55616500 1.0 Ta Ta4 1 0.00000000 0.82082000 0.05616500 1.0 Ta Ta5 1 0.00000000 0.19793600 0.93959700 1.0 Ta Ta6 1 0.00000000 0.68861100 0.25155900 1.0 Ta Ta7 1 0.00000000 0.31138900 0.75155900 1.0 Ta Ta8 1 0.00000000 0.05269300 0.24490500 1.0 Ta Ta9 1 0.00000000 0.94730700 0.74490500 1.0 Ta Ta10 1 0.00000000 0.38860800 0.36959800 1.0 Ta Ta11 1 0.00000000 0.59493800 0.63283400 1.0 Ta Ta12 1 0.00000000 0.40506200 0.13283400 1.0 Ta Ta13 1 0.00000000 0.61139200 0.86959800 1.0 O O14 1 0.00000000 0.32959100 0.47755500 1.0 O O15 1 0.00000000 0.65874100 0.52619500 1.0 O O16 1 0.00000000 0.34125900 0.02619500 1.0 O O17 1 0.00000000 0.67040900 0.97755500 1.0 O O18 1 0.50000000 0.82961300 0.43788900 1.0 O O19 1 0.50000000 0.17360500 0.56368500 1.0 O O20 1 0.50000000 0.82639500 0.06368500 1.0 O O21 1 0.50000000 0.17038700 0.93788900 1.0 O O22 1 0.50000000 0.68844900 0.24790300 1.0 O O23 1 0.50000000 0.31155100 0.74790300 1.0 O O24 1 0.00000000 0.18270000 0.33793000 1.0 O O25 1 0.00000000 0.79821000 0.66590800 1.0 O O26 1 0.00000000 0.20179000 0.16590800 1.0 O O27 1 0.00000000 0.81730000 0.83793000 1.0 O O28 1 0.00000000 0.45563700 0.24743900 1.0 O O29 1 0.00000000 0.54436300 0.74743900 1.0 O O30 1 0.00000000 0.61924500 0.36877500 1.0 O O31 1 0.00000000 0.38281800 0.62987600 1.0 O O32 1 0.00000000 0.61718200 0.12987600 1.0 O O33 1 0.00000000 0.38075500 0.86877500 1.0 O O34 1 0.00000000 0.87560900 0.32577000 1.0 O O35 1 0.00000000 0.12433200 0.67539400 1.0 O O36 1 0.00000000 0.87566800 0.17539400 1.0 O O37 1 0.00000000 0.12439100 0.82577000 1.0 O O38 1 0.50000000 0.05078700 0.25786000 1.0 O O39 1 0.50000000 0.94921300 0.75786000 1.0 O O40 1 0.00000000 0.00374100 0.49029600 1.0 O O41 1 0.00000000 0.99625900 0.99029600 1.0 O O42 1 0.50000000 0.40248400 0.36617300 1.0 O O43 1 0.50000000 0.59751600 0.86617300 1.0