# generated using pymatgen data_BaZnRu5O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.86931944 _cell_length_b 11.86931944 _cell_length_c 13.94522300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999688 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaZnRu5O11 _chemical_formula_sum 'Ba8 Zn8 Ru40 O88' _cell_volume 1701.40515894 _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 Ba Ba0 1 0.33333300 0.66666700 0.75000000 1.0 Ba Ba1 1 0.66666700 0.33333300 0.25000000 1.0 Ba Ba2 1 0.82911900 0.66956500 0.75000000 1.0 Ba Ba3 1 0.33043500 0.15955400 0.75000000 1.0 Ba Ba4 1 0.84044600 0.17088100 0.75000000 1.0 Ba Ba5 1 0.17088100 0.33043500 0.25000000 1.0 Ba Ba6 1 0.66956500 0.84044600 0.25000000 1.0 Ba Ba7 1 0.15955400 0.82911900 0.25000000 1.0 Zn Zn8 1 0.66666700 0.33333300 0.75000000 1.0 Zn Zn9 1 0.33333300 0.66666700 0.25000000 1.0 Zn Zn10 1 0.15820400 0.82719200 0.75000000 1.0 Zn Zn11 1 0.17280800 0.33101200 0.75000000 1.0 Zn Zn12 1 0.66898800 0.84179600 0.75000000 1.0 Zn Zn13 1 0.84179600 0.17280800 0.25000000 1.0 Zn Zn14 1 0.82719200 0.66898800 0.25000000 1.0 Zn Zn15 1 0.33101200 0.15820400 0.25000000 1.0 Ru Ru16 1 0.00000000 0.00000000 0.64870700 1.0 Ru Ru17 1 0.00000000 0.00000000 0.14870700 1.0 Ru Ru18 1 0.00000000 0.00000000 0.35129300 1.0 Ru Ru19 1 0.00000000 0.00000000 0.85129300 1.0 Ru Ru20 1 0.97233300 0.73253300 0.50122100 1.0 Ru Ru21 1 0.26746700 0.23979900 0.50122100 1.0 Ru Ru22 1 0.76020100 0.02766700 0.50122100 1.0 Ru Ru23 1 0.02766700 0.26746700 0.00122100 1.0 Ru Ru24 1 0.73253300 0.76020100 0.00122100 1.0 Ru Ru25 1 0.23979900 0.97233300 0.00122100 1.0 Ru Ru26 1 0.02766700 0.26746700 0.49877900 1.0 Ru Ru27 1 0.73253300 0.76020100 0.49877900 1.0 Ru Ru28 1 0.23979900 0.97233300 0.49877900 1.0 Ru Ru29 1 0.97233300 0.73253300 0.99877900 1.0 Ru Ru30 1 0.26746700 0.23979900 0.99877900 1.0 Ru Ru31 1 0.76020100 0.02766700 0.99877900 1.0 Ru Ru32 1 0.50443300 0.50544900 0.65124700 1.0 Ru Ru33 1 0.49455100 0.99898400 0.65124700 1.0 Ru Ru34 1 0.00101600 0.49556700 0.65124700 1.0 Ru Ru35 1 0.49556700 0.49455100 0.15124700 1.0 Ru Ru36 1 0.50544900 0.00101600 0.15124700 1.0 Ru Ru37 1 0.99898400 0.50443300 0.15124700 1.0 Ru Ru38 1 0.49556700 0.49455100 0.34875300 1.0 Ru Ru39 1 0.50544900 0.00101600 0.34875300 1.0 Ru Ru40 1 0.99898400 0.50443300 0.34875300 1.0 Ru Ru41 1 0.50443300 0.50544900 0.84875300 1.0 Ru Ru42 1 0.49455100 0.99898400 0.84875300 1.0 Ru Ru43 1 0.00101600 0.49556700 0.84875300 1.0 Ru Ru44 1 0.75452800 0.50979900 0.49920400 1.0 Ru Ru45 1 0.49020100 0.24472800 0.49920400 1.0 Ru Ru46 1 0.75527200 0.24547200 0.49920400 1.0 Ru Ru47 1 0.24547200 0.49020100 0.99920400 1.0 Ru Ru48 1 0.50979900 0.75527200 0.99920400 1.0 Ru Ru49 1 0.24472800 0.75452800 0.99920400 1.0 Ru Ru50 1 0.24547200 0.49020100 0.50079600 1.0 Ru Ru51 1 0.50979900 0.75527200 0.50079600 1.0 Ru Ru52 1 0.24472800 0.75452800 0.50079600 1.0 Ru Ru53 1 0.75452800 0.50979900 0.00079600 1.0 Ru Ru54 1 0.49020100 0.24472800 0.00079600 1.0 Ru Ru55 1 0.75527200 0.24547200 0.00079600 1.0 O O56 1 0.89724500 0.82874400 0.57711000 1.0 O O57 1 0.17125600 0.06850100 0.57711000 1.0 O O58 1 0.93149900 0.10275500 0.57711000 1.0 O O59 1 0.10275500 0.17125600 0.07711000 1.0 O O60 1 0.82874400 0.93149900 0.07711000 1.0 O O61 1 0.06850100 0.89724500 0.07711000 1.0 O O62 1 0.10275500 0.17125600 0.42289000 1.0 O O63 1 0.82874400 0.93149900 0.42289000 1.0 O O64 1 0.06850100 0.89724500 0.42289000 1.0 O O65 1 0.89724500 0.82874400 0.92289000 1.0 O O66 1 0.17125600 0.06850100 0.92289000 1.0 O O67 1 0.93149900 0.10275500 0.92289000 1.0 O O68 1 0.41627800 0.83011100 0.57648200 1.0 O O69 1 0.16988900 0.58616700 0.57648200 1.0 O O70 1 0.41383300 0.58372200 0.57648200 1.0 O O71 1 0.58372200 0.16988900 0.07648200 1.0 O O72 1 0.83011100 0.41383300 0.07648200 1.0 O O73 1 0.58616700 0.41627800 0.07648200 1.0 O O74 1 0.58372200 0.16988900 0.42351800 1.0 O O75 1 0.83011100 0.41383300 0.42351800 1.0 O O76 1 0.58616700 0.41627800 0.42351800 1.0 O O77 1 0.41627800 0.83011100 0.92351800 1.0 O O78 1 0.16988900 0.58616700 0.92351800 1.0 O O79 1 0.41383300 0.58372200 0.92351800 1.0 O O80 1 0.42349300 0.33149800 0.58906300 1.0 O O81 1 0.66850200 0.09199500 0.58906300 1.0 O O82 1 0.90800500 0.57650700 0.58906300 1.0 O O83 1 0.57650700 0.66850200 0.08906300 1.0 O O84 1 0.33149800 0.90800500 0.08906300 1.0 O O85 1 0.09199500 0.42349300 0.08906300 1.0 O O86 1 0.57650700 0.66850200 0.41093700 1.0 O O87 1 0.33149800 0.90800500 0.41093700 1.0 O O88 1 0.09199500 0.42349300 0.41093700 1.0 O O89 1 0.42349300 0.33149800 0.91093700 1.0 O O90 1 0.66850200 0.09199500 0.91093700 1.0 O O91 1 0.90800500 0.57650700 0.91093700 1.0 O O92 1 0.92641000 0.33497600 0.57239400 1.0 O O93 1 0.66502400 0.59143300 0.57239400 1.0 O O94 1 0.40856700 0.07359000 0.57239400 1.0 O O95 1 0.07359000 0.66502400 0.07239400 1.0 O O96 1 0.33497600 0.40856700 0.07239400 1.0 O O97 1 0.59143300 0.92641000 0.07239400 1.0 O O98 1 0.07359000 0.66502400 0.42760600 1.0 O O99 1 0.33497600 0.40856700 0.42760600 1.0 O O100 1 0.59143300 0.92641000 0.42760600 1.0 O O101 1 0.92641000 0.33497600 0.92760600 1.0 O O102 1 0.66502400 0.59143300 0.92760600 1.0 O O103 1 0.40856700 0.07359000 0.92760600 1.0 O O104 1 0.06045000 0.91623400 0.75000000 1.0 O O105 1 0.08376600 0.14421600 0.75000000 1.0 O O106 1 0.85578400 0.93955000 0.75000000 1.0 O O107 1 0.93955000 0.08376600 0.25000000 1.0 O O108 1 0.91623400 0.85578400 0.25000000 1.0 O O109 1 0.14421600 0.06045000 0.25000000 1.0 O O110 1 0.58677800 0.43992800 0.75000000 1.0 O O111 1 0.56007200 0.14685000 0.75000000 1.0 O O112 1 0.85315000 0.41322200 0.75000000 1.0 O O113 1 0.41322200 0.56007200 0.25000000 1.0 O O114 1 0.43992800 0.85315000 0.25000000 1.0 O O115 1 0.14685000 0.58677800 0.25000000 1.0 O O116 1 0.57017800 0.92938700 0.75000000 1.0 O O117 1 0.07061300 0.64079000 0.75000000 1.0 O O118 1 0.35921000 0.42982200 0.75000000 1.0 O O119 1 0.42982200 0.07061300 0.25000000 1.0 O O120 1 0.92938700 0.35921000 0.25000000 1.0 O O121 1 0.64079000 0.57017800 0.25000000 1.0 O O122 1 0.34437500 0.91960900 0.75000000 1.0 O O123 1 0.08039100 0.42476600 0.75000000 1.0 O O124 1 0.57523400 0.65562500 0.75000000 1.0 O O125 1 0.65562500 0.08039100 0.25000000 1.0 O O126 1 0.91960900 0.57523400 0.25000000 1.0 O O127 1 0.42476600 0.34437500 0.25000000 1.0 O O128 1 0.66666700 0.33333300 0.92833600 1.0 O O129 1 0.33333300 0.66666700 0.42833600 1.0 O O130 1 0.33333300 0.66666700 0.07166400 1.0 O O131 1 0.66666700 0.33333300 0.57166400 1.0 O O132 1 0.14050400 0.81248100 0.91726500 1.0 O O133 1 0.18751900 0.32802300 0.91726500 1.0 O O134 1 0.67197700 0.85949600 0.91726500 1.0 O O135 1 0.85949600 0.18751900 0.41726500 1.0 O O136 1 0.81248100 0.67197700 0.41726500 1.0 O O137 1 0.32802300 0.14050400 0.41726500 1.0 O O138 1 0.85949600 0.18751900 0.08273500 1.0 O O139 1 0.81248100 0.67197700 0.08273500 1.0 O O140 1 0.32802300 0.14050400 0.08273500 1.0 O O141 1 0.14050400 0.81248100 0.58273500 1.0 O O142 1 0.18751900 0.32802300 0.58273500 1.0 O O143 1 0.67197700 0.85949600 0.58273500 1.0