# generated using pymatgen data_Ba2LaNb5O15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.74891700 _cell_length_b 12.74891700 _cell_length_c 4.04453900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LaNb5O15 _chemical_formula_sum 'Ba4 La2 Nb10 O30' _cell_volume 657.37867992 _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 0.66810900 0.16810900 0.00000000 1.0 Ba Ba1 1 0.33189100 0.83189100 0.00000000 1.0 Ba Ba2 1 0.16810900 0.33189100 0.00000000 1.0 Ba Ba3 1 0.83189100 0.66810900 0.00000000 1.0 La La4 1 0.50000000 0.50000000 0.00000000 1.0 La La5 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb6 1 0.57683100 0.71199100 0.50000000 1.0 Nb Nb7 1 0.42316900 0.28800900 0.50000000 1.0 Nb Nb8 1 0.07683100 0.78800900 0.50000000 1.0 Nb Nb9 1 0.92316900 0.21199100 0.50000000 1.0 Nb Nb10 1 0.28800900 0.57683100 0.50000000 1.0 Nb Nb11 1 0.71199100 0.42316900 0.50000000 1.0 Nb Nb12 1 0.21199100 0.07683100 0.50000000 1.0 Nb Nb13 1 0.78800900 0.92316900 0.50000000 1.0 Nb Nb14 1 0.50000000 0.00000000 0.50000000 1.0 Nb Nb15 1 0.00000000 0.50000000 0.50000000 1.0 O O16 1 0.57589600 0.70023600 0.00000000 1.0 O O17 1 0.42410400 0.29976400 0.00000000 1.0 O O18 1 0.07589600 0.79976400 0.00000000 1.0 O O19 1 0.92410400 0.20023600 0.00000000 1.0 O O20 1 0.29976400 0.57589600 0.00000000 1.0 O O21 1 0.70023600 0.42410400 0.00000000 1.0 O O22 1 0.20023600 0.07589600 0.00000000 1.0 O O23 1 0.79976400 0.92410400 0.00000000 1.0 O O24 1 0.63098900 0.56331100 0.50000000 1.0 O O25 1 0.36901100 0.43668900 0.50000000 1.0 O O26 1 0.13098900 0.93668900 0.50000000 1.0 O O27 1 0.86901100 0.06331100 0.50000000 1.0 O O28 1 0.43668900 0.63098900 0.50000000 1.0 O O29 1 0.56331100 0.36901100 0.50000000 1.0 O O30 1 0.06331100 0.13098900 0.50000000 1.0 O O31 1 0.93668900 0.86901100 0.50000000 1.0 O O32 1 0.77867000 0.27867000 0.50000000 1.0 O O33 1 0.22133000 0.72133000 0.50000000 1.0 O O34 1 0.27867000 0.22133000 0.50000000 1.0 O O35 1 0.72133000 0.77867000 0.50000000 1.0 O O36 1 0.84127000 0.50911500 0.50000000 1.0 O O37 1 0.15873000 0.49088500 0.50000000 1.0 O O38 1 0.34127000 0.99088500 0.50000000 1.0 O O39 1 0.65873000 0.00911500 0.50000000 1.0 O O40 1 0.49088500 0.84127000 0.50000000 1.0 O O41 1 0.50911500 0.15873000 0.50000000 1.0 O O42 1 0.00911500 0.34127000 0.50000000 1.0 O O43 1 0.99088500 0.65873000 0.50000000 1.0 O O44 1 0.50000000 0.00000000 0.00000000 1.0 O O45 1 0.00000000 0.50000000 0.00000000 1.0