# generated using pymatgen data_Ba8(CoO3)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.38539147 _cell_length_b 11.63777178 _cell_length_c 10.56717092 _cell_angle_alpha 73.96624211 _cell_angle_beta 56.68007409 _cell_angle_gamma 49.35368380 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba8(CoO3)7 _chemical_formula_sum 'Ba16 Co14 O42' _cell_volume 1034.98554678 _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 0.29804200 0.03221700 0.46925100 1.0 Ba Ba1 1 0.03221700 0.29804200 0.20049000 1.0 Ba Ba2 1 0.04951000 0.78074900 0.21778300 1.0 Ba Ba3 1 0.78074900 0.04951000 0.95195800 1.0 Ba Ba4 1 0.78321500 0.55067600 0.96190000 1.0 Ba Ba5 1 0.55067600 0.78321500 0.70421000 1.0 Ba Ba6 1 0.54579000 0.28810000 0.69932400 1.0 Ba Ba7 1 0.28810000 0.54579000 0.46678500 1.0 Ba Ba8 1 0.60388300 0.07620500 0.38849000 1.0 Ba Ba9 1 0.07620500 0.60388300 0.93142300 1.0 Ba Ba10 1 0.31857700 0.86151000 0.17379500 1.0 Ba Ba11 1 0.86151000 0.31857700 0.64611700 1.0 Ba Ba12 1 0.58274500 0.58274500 0.41725500 1.0 Ba Ba13 1 0.83274500 0.83274500 0.66725500 1.0 Ba Ba14 1 0.07112000 0.07112000 0.92888000 1.0 Ba Ba15 1 0.32112000 0.32112000 0.17888000 1.0 Co Co16 1 0.81928900 0.67971900 0.31933400 1.0 Co Co17 1 0.67971900 0.81928900 0.18165800 1.0 Co Co18 1 0.06834200 0.93066600 0.57028100 1.0 Co Co19 1 0.93066600 0.06834200 0.43071100 1.0 Co Co20 1 0.95957900 0.54126000 0.45783000 1.0 Co Co21 1 0.54126000 0.95957900 0.04133100 1.0 Co Co22 1 0.20866900 0.79217000 0.70874000 1.0 Co Co23 1 0.79217000 0.20866900 0.29042100 1.0 Co Co24 1 0.09993300 0.40092000 0.60136400 1.0 Co Co25 1 0.40092000 0.09993300 0.89778300 1.0 Co Co26 1 0.35221700 0.64863600 0.84908000 1.0 Co Co27 1 0.64863600 0.35221700 0.15006700 1.0 Co Co28 1 0.24923900 0.24923900 0.75076100 1.0 Co Co29 1 0.49923900 0.49923900 0.00076100 1.0 O O30 1 0.06460200 0.00697400 0.71042400 1.0 O O31 1 0.00697400 0.06460200 0.21799900 1.0 O O32 1 0.03200100 0.53957600 0.24302600 1.0 O O33 1 0.53957600 0.03200100 0.18539800 1.0 O O34 1 0.27857800 0.79350700 0.49188500 1.0 O O35 1 0.79350700 0.27857800 0.43603000 1.0 O O36 1 0.81397000 0.75811500 0.45649300 1.0 O O37 1 0.75811500 0.81397000 0.97142200 1.0 O O38 1 0.50865100 0.56421600 0.15769500 1.0 O O39 1 0.56421600 0.50865100 0.76943800 1.0 O O40 1 0.48056200 0.09230500 0.68578400 1.0 O O41 1 0.09230500 0.48056200 0.74134900 1.0 O O42 1 0.72823300 0.34422700 0.93917700 1.0 O O43 1 0.34422700 0.72823300 0.98836300 1.0 O O44 1 0.26163700 0.31082300 0.90577300 1.0 O O45 1 0.31082300 0.26163700 0.52176700 1.0 O O46 1 0.54004000 0.81521900 0.18716500 1.0 O O47 1 0.55005300 0.09727200 0.89957900 1.0 O O48 1 0.81521900 0.54004000 0.45757600 1.0 O O49 1 0.06283500 0.79242400 0.70996000 1.0 O O50 1 0.09309400 0.26198800 0.73873200 1.0 O O51 1 0.26198800 0.09309400 0.90618600 1.0 O O52 1 0.34381400 0.51126800 0.98801200 1.0 O O53 1 0.51126800 0.34381400 0.15690600 1.0 O O54 1 0.82446200 0.60166800 0.17949800 1.0 O O55 1 0.60166800 0.82446200 0.39437300 1.0 O O56 1 0.85562700 0.07050200 0.64833200 1.0 O O57 1 0.07050200 0.85562700 0.42553800 1.0 O O58 1 0.79690300 0.35042100 0.15272800 1.0 O O59 1 0.35042100 0.79690300 0.69994700 1.0 O O60 1 0.07242000 0.07242000 0.42758000 1.0 O O61 1 0.82242000 0.82242000 0.17758000 1.0 O O62 1 0.10197300 0.32612700 0.45651500 1.0 O O63 1 0.32612700 0.10197300 0.11538500 1.0 O O64 1 0.13461500 0.79348500 0.92387300 1.0 O O65 1 0.79348500 0.13461500 0.14802700 1.0 O O66 1 0.87984200 0.54891400 0.67027500 1.0 O O67 1 0.54891400 0.87984200 0.90096900 1.0 O O68 1 0.34903100 0.57972500 0.70108600 1.0 O O69 1 0.57972500 0.34903100 0.37015800 1.0 O O70 1 0.09727200 0.55005300 0.45309700 1.0 O O71 1 0.79242400 0.06283500 0.43478100 1.0