# generated using pymatgen data_Ba3Ta5O15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.66428738 _cell_length_b 12.66428738 _cell_length_c 3.99099453 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba3Ta5O15 _chemical_formula_sum 'Ba6 Ta10 O30' _cell_volume 640.09236450 _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 Ba Ba0 1 0.00000000 0.00000000 0.00000000 1.0 Ba Ba1 1 0.50000000 0.50000000 0.00000000 1.0 Ba Ba2 1 0.66933270 0.16933270 -0.00000000 1.0 Ba Ba3 1 0.16933270 0.33066730 0.00000000 1.0 Ba Ba4 1 0.83066730 0.66933270 -0.00000000 1.0 Ba Ba5 1 0.33066730 0.83066730 0.00000000 1.0 Ta Ta6 1 0.07650675 0.78673821 0.50000000 1.0 Ta Ta7 1 0.21326179 0.07650675 0.50000000 1.0 Ta Ta8 1 0.00000000 0.50000000 0.50000000 1.0 Ta Ta9 1 0.50000000 0.00000000 0.50000000 1.0 Ta Ta10 1 0.92349325 0.21326179 0.50000000 1.0 Ta Ta11 1 0.78673821 0.92349325 0.50000000 1.0 Ta Ta12 1 0.28673821 0.57650675 0.50000000 1.0 Ta Ta13 1 0.71326179 0.42349325 0.50000000 1.0 Ta Ta14 1 0.57650675 0.71326179 0.50000000 1.0 Ta Ta15 1 0.42349325 0.28673821 0.50000000 1.0 O O16 1 0.35901156 0.43164827 0.50000000 1.0 O O17 1 0.64098844 0.56835173 0.50000000 1.0 O O18 1 0.56835173 0.35901156 0.50000000 1.0 O O19 1 0.43164827 0.64098844 0.50000000 1.0 O O20 1 0.93164827 0.85901156 0.50000000 1.0 O O21 1 0.85901156 0.06835173 0.50000000 1.0 O O22 1 0.14098844 0.93164827 0.50000000 1.0 O O23 1 0.06835173 0.14098844 0.50000000 1.0 O O24 1 0.15619780 0.49363140 0.50000000 1.0 O O25 1 0.84380220 0.50636860 0.50000000 1.0 O O26 1 0.50636860 0.15619780 0.50000000 1.0 O O27 1 0.49363140 0.84380220 0.50000000 1.0 O O28 1 0.99363140 0.65619780 0.50000000 1.0 O O29 1 0.65619780 0.00636860 0.50000000 1.0 O O30 1 0.34380220 0.99363140 0.50000000 1.0 O O31 1 0.00636860 0.34380220 0.50000000 1.0 O O32 1 0.50000000 0.00000000 0.00000000 1.0 O O33 1 0.00000000 0.50000000 0.00000000 1.0 O O34 1 0.78167098 0.28167098 0.50000000 1.0 O O35 1 0.28167098 0.21832902 0.50000000 1.0 O O36 1 0.71832902 0.78167098 0.50000000 1.0 O O37 1 0.21832902 0.71832902 0.50000000 1.0 O O38 1 0.20852767 0.07796898 -0.00000000 1.0 O O39 1 0.07796898 0.79147233 0.00000000 1.0 O O40 1 0.92203102 0.20852767 -0.00000000 1.0 O O41 1 0.79147233 0.92203102 0.00000000 1.0 O O42 1 0.29147233 0.57796898 0.00000000 1.0 O O43 1 0.70852767 0.42203102 -0.00000000 1.0 O O44 1 0.57796898 0.70852767 -0.00000000 1.0 O O45 1 0.42203102 0.29147233 0.00000000 1.0