# generated using pymatgen data_Sr4Ru2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.67944578 _cell_length_b 9.67944590 _cell_length_c 8.03204135 _cell_angle_alpha 90.00000719 _cell_angle_beta 89.99999390 _cell_angle_gamma 119.99996453 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4Ru2O9 _chemical_formula_sum 'Sr12 Ru6 O27' _cell_volume 651.71499094 _cell_formula_units_Z 3 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 0.00000227 0.67244474 0.00000054 1.0 Sr Sr1 1 0.00000108 0.65415649 0.50000107 1.0 Sr Sr2 1 0.32077652 0.98716015 0.75193092 1.0 Sr Sr3 1 0.01283909 0.33361612 0.75193139 1.0 Sr Sr4 1 0.34584329 0.34584423 0.50000126 1.0 Sr Sr5 1 0.32755544 0.32755735 0.00000115 1.0 Sr Sr6 1 0.66638327 0.67922310 0.75193207 1.0 Sr Sr7 1 0.33361893 0.01283931 0.24807113 1.0 Sr Sr8 1 0.67922030 0.66638098 0.24807130 1.0 Sr Sr9 1 0.65415562 -0.00000104 0.50000112 1.0 Sr Sr10 1 0.67244252 -0.00000199 0.00000118 1.0 Sr Sr11 1 0.98716094 0.32078013 0.24807131 1.0 Ru Ru12 1 -0.00000006 0.00000001 0.84452989 1.0 Ru Ru13 1 0.33333330 0.66666660 0.91200221 1.0 Ru Ru14 1 0.33333357 0.66666659 0.59863216 1.0 Ru Ru15 1 0.66666658 0.33333355 0.40135741 1.0 Ru Ru16 1 0.66666651 0.33333338 0.08799752 1.0 Ru Ru17 1 -0.00000012 -0.00000007 0.15548999 1.0 O O18 1 0.01031010 0.83685143 0.27598162 1.0 O O19 1 0.15225585 0.64445478 0.75370774 1.0 O O20 1 0.31841399 0.82263872 0.03208138 1.0 O O21 1 0.31185502 0.82336254 0.47761392 1.0 O O22 1 -0.00000034 0.16513941 -0.00000669 1.0 O O23 1 0.17736121 0.49577511 0.03208105 1.0 O O24 1 0.17663731 0.48849256 0.47761345 1.0 O O25 1 0.49219931 0.84774424 0.75370792 1.0 O O26 1 0.16314855 0.17345841 0.27598157 1.0 O O27 1 0.17345325 0.16314338 0.72402798 1.0 O O28 1 0.35554558 0.50780089 0.75370782 1.0 O O29 1 0.16513950 -0.00000022 -0.00000678 1.0 O O30 1 0.50422471 0.68158578 0.03208125 1.0 O O31 1 0.51150783 0.68814492 0.47761365 1.0 O O32 1 0.82654143 0.98968994 0.27598162 1.0 O O33 1 0.50780252 0.35554837 0.24629054 1.0 O O34 1 0.48848968 0.17663050 0.52238581 1.0 O O35 1 0.49577115 0.17735736 0.96791144 1.0 O O36 1 0.83486040 0.83486023 -0.00000671 1.0 O O37 1 0.68814128 0.51151058 0.52238581 1.0 O O38 1 0.68158606 0.50422867 0.96791143 1.0 O O39 1 0.64445201 0.15225443 0.24629053 1.0 O O40 1 0.98969004 0.82654669 0.72402772 1.0 O O41 1 0.84774441 0.49219852 0.24629026 1.0 O O42 1 0.82264228 0.31841348 0.96791151 1.0 O O43 1 0.82336948 0.31185875 0.52238558 1.0 O O44 1 0.83685638 0.01030987 0.72402798 1.0