# generated using pymatgen data_BaO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90332900 _cell_length_b 10.67015696 _cell_length_c 11.47585098 _cell_angle_alpha 126.60530816 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaO10 _chemical_formula_sum 'Ba4 O40' _cell_volume 776.87778416 _cell_formula_units_Z 4 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 0.28136400 0.56705100 0.74149400 1.0 Ba Ba1 1 0.21863600 0.06705100 0.24149400 1.0 Ba Ba2 1 0.71863600 0.43294900 0.25850600 1.0 Ba Ba3 1 0.78136400 0.93294900 0.75850600 1.0 O O4 1 0.97504400 0.67550200 0.70526200 1.0 O O5 1 0.52495600 0.17550200 0.20526200 1.0 O O6 1 0.02495600 0.32449800 0.29473800 1.0 O O7 1 0.47504400 0.82449800 0.79473800 1.0 O O8 1 0.20077900 0.24351500 0.55785000 1.0 O O9 1 0.29922100 0.74351500 0.05785000 1.0 O O10 1 0.79922100 0.75648500 0.44215000 1.0 O O11 1 0.70077900 0.25648500 0.94215000 1.0 O O12 1 0.36054100 0.71648700 0.50988600 1.0 O O13 1 0.13945900 0.21648700 0.00988600 1.0 O O14 1 0.63945900 0.28351300 0.49011400 1.0 O O15 1 0.86054100 0.78351300 0.99011400 1.0 O O16 1 0.53066500 0.59903700 0.92725000 1.0 O O17 1 0.96933500 0.09903700 0.42725000 1.0 O O18 1 0.46933500 0.40096300 0.07275000 1.0 O O19 1 0.03066500 0.90096300 0.57275000 1.0 O O20 1 0.01427800 0.46036700 0.85780300 1.0 O O21 1 0.48572200 0.96036700 0.35780300 1.0 O O22 1 0.98572200 0.53963300 0.14219700 1.0 O O23 1 0.51427800 0.03963300 0.64219700 1.0 O O24 1 0.22748000 0.89756900 0.92228200 1.0 O O25 1 0.27252000 0.39756900 0.42228200 1.0 O O26 1 0.77252000 0.10243100 0.07771800 1.0 O O27 1 0.72748000 0.60243100 0.57771800 1.0 O O28 1 0.53472900 0.29982200 0.94017000 1.0 O O29 1 0.96527100 0.79982200 0.44017000 1.0 O O30 1 0.46527100 0.70017800 0.05983000 1.0 O O31 1 0.03472900 0.20017800 0.55983000 1.0 O O32 1 0.58413600 0.34510300 0.61366400 1.0 O O33 1 0.91586400 0.84510300 0.11366400 1.0 O O34 1 0.41586400 0.65489700 0.38633600 1.0 O O35 1 0.08413600 0.15489700 0.88633600 1.0 O O36 1 0.36764200 0.94540100 0.88947600 1.0 O O37 1 0.13235800 0.44540100 0.38947600 1.0 O O38 1 0.63235800 0.05459900 0.11052400 1.0 O O39 1 0.86764200 0.55459900 0.61052400 1.0 O O40 1 0.36226600 0.07013400 0.66664500 1.0 O O41 1 0.13773400 0.57013400 0.16664500 1.0 O O42 1 0.63773400 0.92986600 0.33335500 1.0 O O43 1 0.86226600 0.42986600 0.83335500 1.0