# generated using pymatgen data_Ba2Ru7O18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78138206 _cell_length_b 7.16241980 _cell_length_c 7.53662349 _cell_angle_alpha 93.33363675 _cell_angle_beta 93.84214843 _cell_angle_gamma 115.86427044 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Ru7O18 _chemical_formula_sum 'Ba2 Ru7 O18' _cell_volume 327.09303186 _cell_formula_units_Z 1 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 0.31737458 0.68637614 0.62420622 1.0 Ba Ba1 1 0.68262542 0.31362386 0.37579378 1.0 Ru Ru2 1 0.38848272 0.27894846 0.88385790 1.0 Ru Ru3 1 0.80019117 0.12814956 0.81470742 1.0 Ru Ru4 1 0.19980883 0.87185044 0.18529258 1.0 Ru Ru5 1 0.61151728 0.72105154 0.11614210 1.0 Ru Ru6 1 -0.00000000 -0.00000000 0.50000000 1.0 Ru Ru7 1 0.82378541 0.62145602 0.80503130 1.0 Ru Ru8 1 0.17621459 0.37854398 0.19496870 1.0 O O9 1 0.92085007 0.73097017 0.58496079 1.0 O O10 1 0.28771985 0.16723259 0.11622580 1.0 O O11 1 0.32010947 0.51534759 0.97873148 1.0 O O12 1 0.47922318 0.55892483 0.30939844 1.0 O O13 1 0.49284113 0.91247329 0.16821838 1.0 O O14 1 0.89643898 0.39843595 0.73119291 1.0 O O15 1 0.71228015 0.83276741 0.88377420 1.0 O O16 1 0.91200260 0.23167410 0.05265068 1.0 O O17 1 0.67989053 0.48465241 0.02126852 1.0 O O18 1 0.07914993 0.26902983 0.41503921 1.0 O O19 1 0.09773820 0.13266828 0.75230414 1.0 O O20 1 0.72379993 0.00086408 0.57182725 1.0 O O21 1 0.10356102 0.60156405 0.26880709 1.0 O O22 1 0.90226180 0.86733172 0.24769586 1.0 O O23 1 0.08799740 0.76832590 0.94734932 1.0 O O24 1 0.50715887 0.08752671 0.83178162 1.0 O O25 1 0.27620007 0.99913592 0.42817275 1.0 O O26 1 0.52077682 0.44107517 0.69060156 1.0