# generated using pymatgen data_Ba8Nb7O24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93495852 _cell_length_b 5.93495852 _cell_length_c 19.23357300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000581 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba8Nb7O24 _chemical_formula_sum 'Ba8 Nb7 O24' _cell_volume 586.71332611 _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 0.66666700 0.33333300 0.13220900 1.0 Ba Ba1 1 0.66666700 0.33333300 0.75525400 1.0 Ba Ba2 1 0.33333300 0.66666700 0.98564100 1.0 Ba Ba3 1 0.66666700 0.33333300 0.36598200 1.0 Ba Ba4 1 0.33333300 0.66666700 0.50431200 1.0 Ba Ba5 1 0.00000000 0.00000000 0.24915200 1.0 Ba Ba6 1 0.00000000 0.00000000 0.85457500 1.0 Ba Ba7 1 0.00000000 0.00000000 0.63248100 1.0 Nb Nb8 1 0.66666700 0.33333300 0.56339700 1.0 Nb Nb9 1 0.33333300 0.66666700 0.18270600 1.0 Nb Nb10 1 0.33333300 0.66666700 0.31816500 1.0 Nb Nb11 1 0.33333300 0.66666700 0.69734700 1.0 Nb Nb12 1 0.66666700 0.33333300 0.93366100 1.0 Nb Nb13 1 0.00000000 0.00000000 0.05946900 1.0 Nb Nb14 1 0.00000000 0.00000000 0.43892300 1.0 O O15 1 0.49451500 0.50548500 0.25041300 1.0 O O16 1 0.32845500 0.16422700 0.00760100 1.0 O O17 1 0.33468600 0.16734300 0.49880900 1.0 O O18 1 0.50334000 0.49666000 0.62053600 1.0 O O19 1 0.50982400 0.49017600 0.88326800 1.0 O O20 1 0.50334000 0.00667900 0.62053600 1.0 O O21 1 0.50982400 0.01964700 0.88326800 1.0 O O22 1 0.49451500 0.98903000 0.25041300 1.0 O O23 1 0.66052000 0.83026000 0.74127900 1.0 O O24 1 0.99332100 0.49666000 0.62053600 1.0 O O25 1 0.98035300 0.49017600 0.88326800 1.0 O O26 1 0.83577300 0.16422700 0.00760100 1.0 O O27 1 0.83265700 0.16734300 0.49880900 1.0 O O28 1 0.67298400 0.83649200 0.12697200 1.0 O O29 1 0.67194700 0.83597400 0.37686600 1.0 O O30 1 0.01097000 0.50548500 0.25041300 1.0 O O31 1 0.16402600 0.32805300 0.37686600 1.0 O O32 1 0.83577300 0.67154500 0.00760100 1.0 O O33 1 0.83265700 0.66531400 0.49880900 1.0 O O34 1 0.16350800 0.32701600 0.12697200 1.0 O O35 1 0.16974000 0.33948000 0.74127900 1.0 O O36 1 0.16350800 0.83649200 0.12697200 1.0 O O37 1 0.16402600 0.83597400 0.37686600 1.0 O O38 1 0.16974000 0.83026000 0.74127900 1.0