# generated using pymatgen data_Ba11Cu4Bi9O29 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29533700 _cell_length_b 12.71029285 _cell_length_c 14.51495267 _cell_angle_alpha 90.96772948 _cell_angle_beta 79.48984705 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba11Cu4Bi9O29 _chemical_formula_sum 'Ba11 Cu4 Bi9 O29' _cell_volume 960.40089398 _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 0.47388300 0.73634500 0.05223300 1.0 Ba Ba1 1 0.52765900 0.26753700 0.94468200 1.0 Ba Ba2 1 0.29216800 0.56019800 0.41566400 1.0 Ba Ba3 1 0.69533400 0.44864500 0.60933200 1.0 Ba Ba4 1 0.93669300 0.95049100 0.12661500 1.0 Ba Ba5 1 0.06350700 0.04956900 0.87298500 1.0 Ba Ba6 1 0.13878100 0.65402300 0.72243900 1.0 Ba Ba7 1 0.85385900 0.33951000 0.29228200 1.0 Ba Ba8 1 0.39854900 0.14819700 0.20290300 1.0 Ba Ba9 1 0.60151000 0.84523500 0.79698000 1.0 Ba Ba10 1 0.01124600 0.51499600 0.97750800 1.0 Cu Cu11 1 0.50023600 0.00178000 0.99952800 1.0 Cu Cu12 1 0.96545500 0.21332900 0.06908900 1.0 Cu Cu13 1 0.03448700 0.79051100 0.93102500 1.0 Cu Cu14 1 0.57314600 0.58148900 0.85370800 1.0 Bi Bi15 1 0.79690000 0.06969800 0.40620000 1.0 Bi Bi16 1 0.20289400 0.92898400 0.59421100 1.0 Bi Bi17 1 0.87837200 0.67196900 0.24325600 1.0 Bi Bi18 1 0.12266700 0.31491500 0.75466700 1.0 Bi Bi19 1 0.24996600 0.23655600 0.50006900 1.0 Bi Bi20 1 0.75223200 0.76972000 0.49553600 1.0 Bi Bi21 1 0.33674900 0.86725800 0.32650200 1.0 Bi Bi22 1 0.66484400 0.12862800 0.67031300 1.0 Bi Bi23 1 0.42230900 0.43917100 0.15538200 1.0 O O24 1 0.94623900 0.73086600 0.10752200 1.0 O O25 1 0.05252100 0.26696600 0.89495700 1.0 O O26 1 0.77355400 0.59799800 0.45289200 1.0 O O27 1 0.22333800 0.40164700 0.55332500 1.0 O O28 1 0.76238600 0.23661400 0.47522800 1.0 O O29 1 0.23984200 0.76350900 0.52031600 1.0 O O30 1 0.63945000 0.61070500 0.72110000 1.0 O O31 1 0.34836900 0.38557300 0.30326100 1.0 O O32 1 0.40409200 0.92763900 0.19181500 1.0 O O33 1 0.59767400 0.06745100 0.80465300 1.0 O O34 1 0.72905600 0.10669700 0.03721600 1.0 O O35 1 0.76719300 0.89728700 0.96351600 1.0 O O36 1 0.26929100 0.89728700 0.96351600 1.0 O O37 1 0.23372800 0.10669700 0.03721600 1.0 O O38 1 0.81925900 0.86605600 0.36148100 1.0 O O39 1 0.18503000 0.13308900 0.62993900 1.0 O O40 1 0.10499300 0.47137700 0.79001400 1.0 O O41 1 0.90270800 0.51580400 0.19458500 1.0 O O42 1 0.69092500 0.31144800 0.11720500 1.0 O O43 1 0.82092700 0.68776800 0.88963000 1.0 O O44 1 0.28944300 0.68776800 0.88963000 1.0 O O45 1 0.19187000 0.31144800 0.11720500 1.0 O O46 1 0.30071400 0.06913500 0.39857300 1.0 O O47 1 0.70034900 0.92266300 0.59930300 1.0 O O48 1 0.86557100 0.12357700 0.26885700 1.0 O O49 1 0.13395800 0.87790700 0.73208300 1.0 O O50 1 0.36615900 0.70110600 0.26768200 1.0 O O51 1 0.63402800 0.28891200 0.73194500 1.0 O O52 1 0.51388600 0.50625300 0.97222800 1.0