# generated using pymatgen data_Ba12(CoO3)11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.57750004 _cell_length_b 11.57750004 _cell_length_c 14.79856442 _cell_angle_alpha 78.84014472 _cell_angle_beta 78.84014472 _cell_angle_gamma 119.98101582 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba12(CoO3)11 _chemical_formula_sum 'Ba24 Co22 O66' _cell_volume 1584.29002881 _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 0.13109000 0.54956200 0.08048100 1.0 Ba Ba1 1 0.45043800 0.86891000 0.41951900 1.0 Ba Ba2 1 0.86891000 0.45043800 0.91951900 1.0 Ba Ba3 1 0.54956200 0.13109000 0.58048100 1.0 Ba Ba4 1 0.96243500 0.38171900 0.41005100 1.0 Ba Ba5 1 0.61828100 0.03756500 0.08994900 1.0 Ba Ba6 1 0.03756500 0.61828100 0.58994900 1.0 Ba Ba7 1 0.38171900 0.96243500 0.91005100 1.0 Ba Ba8 1 0.20973300 0.79026700 0.25000000 1.0 Ba Ba9 1 0.79026700 0.20973300 0.75000000 1.0 Ba Ba10 1 0.69847800 0.30152200 0.25000000 1.0 Ba Ba11 1 0.30152200 0.69847800 0.75000000 1.0 Ba Ba12 1 0.95884100 0.87132700 0.41650900 1.0 Ba Ba13 1 0.12867300 0.04115900 0.08349100 1.0 Ba Ba14 1 0.04115900 0.12867300 0.58349100 1.0 Ba Ba15 1 0.87132700 0.95884100 0.91650900 1.0 Ba Ba16 1 0.22865900 0.30278600 0.25170500 1.0 Ba Ba17 1 0.69721400 0.77134100 0.24829500 1.0 Ba Ba18 1 0.77134100 0.69721400 0.74829500 1.0 Ba Ba19 1 0.30278600 0.22865900 0.75170500 1.0 Ba Ba20 1 0.62971900 0.54780500 0.07338800 1.0 Ba Ba21 1 0.45219500 0.37028100 0.42661200 1.0 Ba Ba22 1 0.37028100 0.45219500 0.92661200 1.0 Ba Ba23 1 0.54780500 0.62971900 0.57338800 1.0 Co Co24 1 0.87831300 0.12168700 0.25000000 1.0 Co Co25 1 0.12168700 0.87831300 0.75000000 1.0 Co Co26 1 0.97342500 0.22510200 0.05344000 1.0 Co Co27 1 0.77489800 0.02657500 0.44656000 1.0 Co Co28 1 0.02657500 0.77489800 0.94656000 1.0 Co Co29 1 0.22510200 0.97342500 0.55344000 1.0 Co Co30 1 0.93449700 0.68406300 0.13272300 1.0 Co Co31 1 0.31593700 0.06550300 0.36727700 1.0 Co Co32 1 0.06550300 0.31593700 0.86727700 1.0 Co Co33 1 0.68406300 0.93449700 0.63272300 1.0 Co Co34 1 0.84399600 0.59398700 0.31280400 1.0 Co Co35 1 0.40601300 0.15600400 0.18719600 1.0 Co Co36 1 0.15600400 0.40601300 0.68719600 1.0 Co Co37 1 0.59398700 0.84399600 0.81280400 1.0 Co Co38 1 0.75712400 0.50640500 0.48858200 1.0 Co Co39 1 0.49359500 0.24287600 0.01141800 1.0 Co Co40 1 0.24287600 0.49359500 0.51141800 1.0 Co Co41 1 0.50640500 0.75712400 0.98858200 1.0 Co Co42 1 0.32955700 0.58136200 0.33909900 1.0 Co Co43 1 0.41863800 0.67044300 0.16090100 1.0 Co Co44 1 0.67044300 0.41863800 0.66090100 1.0 Co Co45 1 0.58136200 0.32955700 0.83909900 1.0 O O46 1 0.90724700 0.79979800 0.04410500 1.0 O O47 1 0.20020200 0.09275300 0.45589500 1.0 O O48 1 0.09275300 0.20020200 0.95589500 1.0 O O49 1 0.79979800 0.90724700 0.54410500 1.0 O O50 1 0.72635500 0.62314300 0.40068100 1.0 O O51 1 0.37685700 0.27364500 0.09931900 1.0 O O52 1 0.27364500 0.37685700 0.59931900 1.0 O O53 1 0.62314300 0.72635500 0.90068100 1.0 O O54 1 0.44755100 0.55244900 0.25000000 1.0 O O55 1 0.55244900 0.44755100 0.75000000 1.0 O O56 1 0.90634900 0.58405300 0.04714500 1.0 O O57 1 0.41594700 0.09365100 0.45285500 1.0 O O58 1 0.09365100 0.41594700 0.95285500 1.0 O O59 1 0.58405300 0.90634900 0.54714500 1.0 O O60 1 0.59567300 0.27341100 0.09818600 1.0 O O61 1 0.72658900 0.40432700 0.40181400 1.0 O O62 1 0.40432700 0.72658900 0.90181400 1.0 O O63 1 0.27341100 0.59567300 0.59818600 1.0 O O64 1 0.22709900 0.55219400 0.24932400 1.0 O O65 1 0.44780600 0.77290100 0.25067600 1.0 O O66 1 0.77290100 0.44780600 0.75067600 1.0 O O67 1 0.55219400 0.22709900 0.74932400 1.0 O O68 1 0.94861700 0.62478200 0.39903800 1.0 O O69 1 0.37521800 0.05138300 0.10096200 1.0 O O70 1 0.05138300 0.37521800 0.60096200 1.0 O O71 1 0.62478200 0.94861700 0.89903800 1.0 O O72 1 0.12346700 0.80240300 0.04045700 1.0 O O73 1 0.19759700 0.87653300 0.45954300 1.0 O O74 1 0.87653300 0.19759700 0.95954300 1.0 O O75 1 0.80240300 0.12346700 0.54045700 1.0 O O76 1 0.85845500 0.25422100 0.13778400 1.0 O O77 1 0.74577900 0.14154500 0.36221600 1.0 O O78 1 0.14154500 0.74577900 0.86221600 1.0 O O79 1 0.25422100 0.85845500 0.63778400 1.0 O O80 1 0.96193300 0.56524100 0.22479300 1.0 O O81 1 0.43475900 0.03806700 0.27520700 1.0 O O82 1 0.03806700 0.43475900 0.77520700 1.0 O O83 1 0.56524100 0.96193300 0.72479300 1.0 O O84 1 0.21216900 0.61218500 0.42327100 1.0 O O85 1 0.38781500 0.78783100 0.07672900 1.0 O O86 1 0.78783100 0.38781500 0.57672900 1.0 O O87 1 0.61218500 0.21216900 0.92327100 1.0 O O88 1 0.08141400 0.25958100 0.13341700 1.0 O O89 1 0.74041900 0.91858600 0.36658300 1.0 O O90 1 0.91858600 0.74041900 0.86658300 1.0 O O91 1 0.25958100 0.08141400 0.63341700 1.0 O O92 1 0.03631100 0.85724200 0.64417000 1.0 O O93 1 0.14275800 0.96368900 0.85583000 1.0 O O94 1 0.96368900 0.14275800 0.35583000 1.0 O O95 1 0.85724200 0.03631100 0.14417000 1.0 O O96 1 0.96189900 0.78344900 0.22324600 1.0 O O97 1 0.21655100 0.03810100 0.27675400 1.0 O O98 1 0.03810100 0.21655100 0.77675400 1.0 O O99 1 0.78344900 0.96189900 0.72324600 1.0 O O100 1 0.21376700 0.39095300 0.42413200 1.0 O O101 1 0.60904700 0.78623300 0.07586800 1.0 O O102 1 0.78623300 0.60904700 0.57586800 1.0 O O103 1 0.39095300 0.21376700 0.92413200 1.0 O O104 1 0.38908300 0.56502200 0.07599400 1.0 O O105 1 0.43497800 0.61091700 0.42400600 1.0 O O106 1 0.61091700 0.43497800 0.92400600 1.0 O O107 1 0.56502200 0.38908300 0.57599400 1.0 O O108 1 0.74229000 0.56528500 0.22342700 1.0 O O109 1 0.43471500 0.25771000 0.27657300 1.0 O O110 1 0.25771000 0.43471500 0.77657300 1.0 O O111 1 0.56528500 0.74229000 0.72342700 1.0