# generated using pymatgen data_ZnCuBiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22458300 _cell_length_b 9.69020500 _cell_length_c 15.03574800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCuBiO5 _chemical_formula_sum 'Zn8 Cu8 Bi8 O40' _cell_volume 761.21902866 _cell_formula_units_Z 8 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 Zn Zn0 1 0.55805700 0.37432700 0.56319400 1.0 Zn Zn1 1 0.05805700 0.12567300 0.56319400 1.0 Zn Zn2 1 0.05805700 0.62567300 0.93680600 1.0 Zn Zn3 1 0.94194300 0.37432700 0.06319400 1.0 Zn Zn4 1 0.44194300 0.12567300 0.06319400 1.0 Zn Zn5 1 0.94194300 0.87432700 0.43680600 1.0 Zn Zn6 1 0.44194300 0.62567300 0.43680600 1.0 Zn Zn7 1 0.55805700 0.87432700 0.93680600 1.0 Cu Cu8 1 0.02669600 0.38476800 0.42787200 1.0 Cu Cu9 1 0.47330400 0.88476800 0.57212800 1.0 Cu Cu10 1 0.97330400 0.61523200 0.57212800 1.0 Cu Cu11 1 0.52669600 0.11523200 0.42787200 1.0 Cu Cu12 1 0.97330400 0.11523200 0.92787200 1.0 Cu Cu13 1 0.02669600 0.88476800 0.07212800 1.0 Cu Cu14 1 0.47330400 0.38476800 0.92787200 1.0 Cu Cu15 1 0.52669600 0.61523200 0.07212800 1.0 Bi Bi16 1 0.02197200 0.86321500 0.74989000 1.0 Bi Bi17 1 0.97802800 0.13678500 0.25011000 1.0 Bi Bi18 1 0.47802800 0.36321500 0.25011000 1.0 Bi Bi19 1 0.97802800 0.63678500 0.24989000 1.0 Bi Bi20 1 0.52197200 0.13678500 0.75011000 1.0 Bi Bi21 1 0.52197200 0.63678500 0.74989000 1.0 Bi Bi22 1 0.47802800 0.86321500 0.24989000 1.0 Bi Bi23 1 0.02197200 0.36321500 0.75011000 1.0 O O24 1 0.82758800 0.31870000 0.32894000 1.0 O O25 1 0.23418300 0.97716400 0.98158600 1.0 O O26 1 0.26581700 0.47716400 0.01841400 1.0 O O27 1 0.35592200 0.80834100 0.82720200 1.0 O O28 1 0.14407800 0.30834100 0.17279800 1.0 O O29 1 0.82758800 0.81870100 0.17106000 1.0 O O30 1 0.14407800 0.80834100 0.32720200 1.0 O O31 1 0.67241200 0.81870100 0.67106000 1.0 O O32 1 0.23418300 0.47716400 0.51841400 1.0 O O33 1 0.17241200 0.68129900 0.67106000 1.0 O O34 1 0.67241200 0.31870000 0.82894000 1.0 O O35 1 0.83413100 0.26268500 0.49515500 1.0 O O36 1 0.73418300 0.02283600 0.51841400 1.0 O O37 1 0.64407800 0.69165900 0.32720200 1.0 O O38 1 0.22272600 0.99837900 0.15288600 1.0 O O39 1 0.73418300 0.52283600 0.98158600 1.0 O O40 1 0.17241200 0.18130000 0.82894000 1.0 O O41 1 0.85592200 0.19165900 0.67279800 1.0 O O42 1 0.33413100 0.73731500 0.00484500 1.0 O O43 1 0.26581700 0.97716400 0.48158600 1.0 O O44 1 0.16586900 0.73731500 0.50484500 1.0 O O45 1 0.77727400 0.00162100 0.84711400 1.0 O O46 1 0.64407800 0.19165900 0.17279800 1.0 O O47 1 0.72272600 0.00162100 0.34711400 1.0 O O48 1 0.16586900 0.23731500 0.99515500 1.0 O O49 1 0.33413100 0.23731500 0.49515500 1.0 O O50 1 0.76581700 0.52283600 0.48158600 1.0 O O51 1 0.76581700 0.02283600 0.01841400 1.0 O O52 1 0.72272600 0.50162100 0.15288600 1.0 O O53 1 0.66586900 0.76268500 0.50484500 1.0 O O54 1 0.66586900 0.26268500 0.99515500 1.0 O O55 1 0.83413100 0.76268500 0.00484500 1.0 O O56 1 0.77727400 0.50162100 0.65288600 1.0 O O57 1 0.85592200 0.69165900 0.82720200 1.0 O O58 1 0.35592200 0.30834100 0.67279800 1.0 O O59 1 0.22272600 0.49837900 0.34711400 1.0 O O60 1 0.27727400 0.49837900 0.84711400 1.0 O O61 1 0.32758800 0.18130000 0.32894000 1.0 O O62 1 0.27727400 0.99837900 0.65288600 1.0 O O63 1 0.32758800 0.68129900 0.17106000 1.0