# generated using pymatgen data_Ba6Li2Ta9Ti7O42 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.24490140 _cell_length_b 9.24490140 _cell_length_c 11.87978753 _cell_angle_alpha 89.97491870 _cell_angle_beta 89.97491870 _cell_angle_gamma 119.86108585 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba6Li2Ta9Ti7O42 _chemical_formula_sum 'Ba6 Li2 Ta9 Ti7 O42' _cell_volume 880.54170055 _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 Ba Ba0 1 0.59498300 0.59498300 0.24465500 1.0 Ba Ba1 1 0.41272000 0.41272000 0.75111800 1.0 Ba Ba2 1 0.99968600 0.40771700 0.24354200 1.0 Ba Ba3 1 0.99515200 0.59422500 0.74937500 1.0 Ba Ba4 1 0.59422500 0.99515200 0.74937500 1.0 Ba Ba5 1 0.40771700 0.99968600 0.24354200 1.0 Li Li6 1 0.99919000 0.99919000 0.23592700 1.0 Li Li7 1 0.99582200 0.99582200 0.74378800 1.0 Ta Ta8 1 0.24896400 0.24896400 0.41085500 1.0 Ta Ta9 1 0.33546300 0.66596100 0.00457600 1.0 Ta Ta10 1 0.33308700 0.66685700 0.50741300 1.0 Ta Ta11 1 0.99810700 0.24649900 0.91155200 1.0 Ta Ta12 1 0.75132800 0.99871100 0.40963200 1.0 Ta Ta13 1 0.99871100 0.75132800 0.40963200 1.0 Ta Ta14 1 0.66596100 0.33546300 0.00457600 1.0 Ta Ta15 1 0.66685700 0.33308700 0.50741300 1.0 Ta Ta16 1 0.24649900 0.99810700 0.91155200 1.0 Ti Ti17 1 0.74928200 0.74928200 0.91288800 1.0 Ti Ti18 1 0.75203100 0.75203100 0.59721200 1.0 Ti Ti19 1 0.24949700 0.24949700 0.09105500 1.0 Ti Ti20 1 0.00074600 0.24910000 0.59172600 1.0 Ti Ti21 1 0.74936300 0.99443100 0.08656200 1.0 Ti Ti22 1 0.99443100 0.74936300 0.08656200 1.0 Ti Ti23 1 0.24910000 0.00074600 0.59172600 1.0 O O24 1 0.80500300 0.80500300 0.07750400 1.0 O O25 1 0.80141800 0.80141800 0.42312000 1.0 O O26 1 0.79238700 0.79238700 0.75112300 1.0 O O27 1 0.51789400 0.68637000 0.90266400 1.0 O O28 1 0.51760200 0.68592100 0.60027500 1.0 O O29 1 0.20303200 0.20303200 0.25021200 1.0 O O30 1 0.20129600 0.20129600 0.57636500 1.0 O O31 1 0.19891700 0.19891700 0.92253900 1.0 O O32 1 0.51719400 0.83162200 0.10173600 1.0 O O33 1 0.51620700 0.83081600 0.40025500 1.0 O O34 1 0.31426500 0.48205900 0.10069500 1.0 O O35 1 0.31464400 0.48380800 0.40038700 1.0 O O36 1 0.16774900 0.48244500 0.59998800 1.0 O O37 1 0.16870700 0.48291400 0.90076300 1.0 O O38 1 0.31484700 0.83281300 0.60011600 1.0 O O39 1 0.31670600 0.83207900 0.89905300 1.0 O O40 1 0.00117700 0.20050500 0.07667400 1.0 O O41 1 0.99996600 0.19913600 0.42312000 1.0 O O42 1 0.99981400 0.20269600 0.74980600 1.0 O O43 1 0.16730700 0.68691600 0.09683800 1.0 O O44 1 0.16913500 0.68553200 0.40081800 1.0 O O45 1 0.79977400 0.99991000 0.57602200 1.0 O O46 1 0.80214000 0.00181800 0.92247900 1.0 O O47 1 0.79596800 0.99987100 0.24968500 1.0 O O48 1 0.83281300 0.31484700 0.60011600 1.0 O O49 1 0.83207900 0.31670600 0.89905300 1.0 O O50 1 0.99987100 0.79596800 0.24968500 1.0 O O51 1 0.99991000 0.79977400 0.57602200 1.0 O O52 1 0.00181800 0.80214000 0.92247900 1.0 O O53 1 0.68691600 0.16730700 0.09683800 1.0 O O54 1 0.68553200 0.16913500 0.40081800 1.0 O O55 1 0.83081600 0.51620700 0.40025500 1.0 O O56 1 0.83162200 0.51719400 0.10173600 1.0 O O57 1 0.68592100 0.51760200 0.60027500 1.0 O O58 1 0.68637000 0.51789400 0.90266400 1.0 O O59 1 0.48244500 0.16774900 0.59998800 1.0 O O60 1 0.48291400 0.16870700 0.90076300 1.0 O O61 1 0.48380800 0.31464400 0.40038700 1.0 O O62 1 0.48205900 0.31426500 0.10069500 1.0 O O63 1 0.20269600 0.99981400 0.74980600 1.0 O O64 1 0.19913600 0.99996600 0.42312000 1.0 O O65 1 0.20050500 0.00117700 0.07667400 1.0