# generated using pymatgen data_Ca(AgO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63805366 _cell_length_b 6.63805366 _cell_length_c 16.21592600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999658 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca(AgO2)2 _chemical_formula_sum 'Ca6 Ag12 O24' _cell_volume 618.80514750 _cell_formula_units_Z 6 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 Ca Ca0 1 0.66666700 0.33333300 0.94201500 1.0 Ca Ca1 1 0.33333300 0.66666700 0.61433300 1.0 Ca Ca2 1 0.00000000 0.00000000 0.66701400 1.0 Ca Ca3 1 0.00000000 0.00000000 0.27096300 1.0 Ca Ca4 1 0.33333300 0.66666700 0.00279500 1.0 Ca Ca5 1 0.33333300 0.66666700 0.38546800 1.0 Ag Ag6 1 0.16731500 0.33463100 0.83397200 1.0 Ag Ag7 1 0.66536900 0.83268500 0.83397200 1.0 Ag Ag8 1 0.83554900 0.67109700 0.50010500 1.0 Ag Ag9 1 0.16731500 0.83268500 0.83397200 1.0 Ag Ag10 1 0.32890300 0.16445100 0.50010500 1.0 Ag Ag11 1 0.66666700 0.33333300 0.33475600 1.0 Ag Ag12 1 0.66666700 0.33333300 0.71589500 1.0 Ag Ag13 1 0.50029600 0.00059100 0.16600500 1.0 Ag Ag14 1 0.83554900 0.16445100 0.50010500 1.0 Ag Ag15 1 0.99940900 0.49970400 0.16600500 1.0 Ag Ag16 1 0.50029600 0.49970400 0.16600500 1.0 Ag Ag17 1 0.00000000 0.00000000 0.04632500 1.0 O O18 1 0.47890300 0.95780600 0.90182500 1.0 O O19 1 0.33333300 0.66666700 0.75092400 1.0 O O20 1 0.04219400 0.52109700 0.90182500 1.0 O O21 1 0.47890300 0.52109700 0.90182500 1.0 O O22 1 0.14815000 0.29630000 0.56648200 1.0 O O23 1 0.85123300 0.14876700 0.76985400 1.0 O O24 1 0.00000000 0.00000000 0.41095700 1.0 O O25 1 0.29753400 0.14876700 0.76985400 1.0 O O26 1 0.00000000 0.00000000 0.91632900 1.0 O O27 1 0.70370000 0.85185000 0.56648200 1.0 O O28 1 0.14815000 0.85185000 0.56648200 1.0 O O29 1 0.85123300 0.70246600 0.76985400 1.0 O O30 1 0.80801400 0.61602800 0.23549700 1.0 O O31 1 0.52280600 0.47719400 0.43334900 1.0 O O32 1 0.95438800 0.47719400 0.43334900 1.0 O O33 1 0.66666700 0.33333300 0.08211900 1.0 O O34 1 0.66666700 0.33333300 0.58512000 1.0 O O35 1 0.38397200 0.19198600 0.23549700 1.0 O O36 1 0.80801400 0.19198600 0.23549700 1.0 O O37 1 0.52280600 0.04561200 0.43334900 1.0 O O38 1 0.18096500 0.81903500 0.10200100 1.0 O O39 1 0.63807000 0.81903500 0.10200100 1.0 O O40 1 0.33333300 0.66666700 0.24709700 1.0 O O41 1 0.18096500 0.36193000 0.10200100 1.0