# generated using pymatgen data_Sr3CaRu2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72960894 _cell_length_b 9.88323284 _cell_length_c 14.04633061 _cell_angle_alpha 89.96275267 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr3CaRu2O9 _chemical_formula_sum 'Sr12 Ca4 Ru8 O36' _cell_volume 795.40222745 _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 Sr Sr0 1 0.53230596 0.83255154 0.41724704 1.0 Sr Sr1 1 0.53683285 0.49308603 0.75199564 1.0 Sr Sr2 1 0.96769404 0.33255154 0.41724704 1.0 Sr Sr3 1 0.46654545 0.83252342 0.91238278 1.0 Sr Sr4 1 0.53345455 0.16747658 0.08761722 1.0 Sr Sr5 1 0.03683285 0.00691397 0.24800436 1.0 Sr Sr6 1 0.03345455 0.33252342 0.91238278 1.0 Sr Sr7 1 0.96316715 0.99308603 0.75199564 1.0 Sr Sr8 1 0.46769404 0.16744846 0.58275296 1.0 Sr Sr9 1 0.03230596 0.66744846 0.58275296 1.0 Sr Sr10 1 0.46316715 0.50691397 0.24800436 1.0 Sr Sr11 1 0.96654545 0.66747658 0.08761722 1.0 Ca Ca12 1 0.50000000 0.50000000 0.00000000 1.0 Ca Ca13 1 -0.00000000 -0.00000000 0.50000000 1.0 Ca Ca14 1 0.50000000 0.50000000 0.50000000 1.0 Ca Ca15 1 -0.00000000 -0.00000000 0.00000000 1.0 Ru Ru16 1 0.50223915 0.82821228 0.66851235 1.0 Ru Ru17 1 0.99776085 0.32821228 0.66851235 1.0 Ru Ru18 1 0.49546792 0.16172361 0.83087284 1.0 Ru Ru19 1 0.00223915 0.67178772 0.33148765 1.0 Ru Ru20 1 0.00453208 0.66172361 0.83087284 1.0 Ru Ru21 1 0.49776085 0.17178772 0.33148765 1.0 Ru Ru22 1 0.50453208 0.83827639 0.16912716 1.0 Ru Ru23 1 0.99546792 0.33827639 0.16912716 1.0 O O24 1 0.01269955 0.79635128 0.92794289 1.0 O O25 1 0.80299697 0.60368968 0.42888682 1.0 O O26 1 0.76717931 0.87317619 0.59401504 1.0 O O27 1 0.78607666 0.26118666 0.77411456 1.0 O O28 1 0.78482916 0.21549833 0.24991683 1.0 O O29 1 0.19770871 0.44662122 0.09477376 1.0 O O30 1 0.69770871 0.05337878 0.90522624 1.0 O O31 1 0.51342058 0.02225943 0.72597656 1.0 O O32 1 0.71392334 0.76118666 0.77411456 1.0 O O33 1 0.23282069 0.12682381 0.40598496 1.0 O O34 1 0.69700303 0.10368968 0.42888682 1.0 O O35 1 0.01319447 0.15430064 0.61575310 1.0 O O36 1 0.98730045 0.20364872 0.07205711 1.0 O O37 1 0.73173762 0.42432007 0.11765306 1.0 O O38 1 0.01342058 0.47774057 0.27402344 1.0 O O39 1 0.48730045 0.29635128 0.92794289 1.0 O O40 1 0.98657942 0.52225943 0.72597656 1.0 O O41 1 0.71517084 0.71549833 0.24991683 1.0 O O42 1 0.30229129 0.94662122 0.09477376 1.0 O O43 1 0.26826238 0.57567993 0.88234694 1.0 O O44 1 0.28607666 0.23881334 0.22588544 1.0 O O45 1 0.51319447 0.34569936 0.38424690 1.0 O O46 1 0.21517084 0.78450167 0.75008317 1.0 O O47 1 0.21392334 0.73881334 0.22588544 1.0 O O48 1 0.51269955 0.70364872 0.07205711 1.0 O O49 1 0.76826238 0.92432007 0.11765306 1.0 O O50 1 0.48657942 0.97774057 0.27402344 1.0 O O51 1 0.19700303 0.39631032 0.57111318 1.0 O O52 1 0.48680553 0.65430064 0.61575310 1.0 O O53 1 0.73282069 0.37317619 0.59401504 1.0 O O54 1 0.98680553 0.84569936 0.38424690 1.0 O O55 1 0.26717931 0.62682381 0.40598496 1.0 O O56 1 0.28482916 0.28450167 0.75008317 1.0 O O57 1 0.23173762 0.07567993 0.88234694 1.0 O O58 1 0.30299697 0.89631032 0.57111318 1.0 O O59 1 0.80229129 0.55337878 0.90522624 1.0