# generated using pymatgen data_Ba(RuO2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.96700000 _cell_length_b 9.96700000 _cell_length_c 9.50200300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(RuO2)6 _chemical_formula_sum 'Ba4 Ru24 O48' _cell_volume 943.93932570 _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 0.00000000 0.50000000 0.87501700 1.0 Ba Ba1 1 0.50000000 0.00000000 0.70471000 1.0 Ba Ba2 1 0.00000000 0.50000000 0.29529000 1.0 Ba Ba3 1 0.50000000 0.00000000 0.12498300 1.0 Ru Ru4 1 0.16858600 0.85406800 0.41697100 1.0 Ru Ru5 1 0.85277900 0.83358700 0.24912900 1.0 Ru Ru6 1 0.83139200 0.15335500 0.08120200 1.0 Ru Ru7 1 0.14722100 0.16641300 0.24912900 1.0 Ru Ru8 1 0.66858600 0.35406800 0.58302900 1.0 Ru Ru9 1 0.66641300 0.35277900 0.24912900 1.0 Ru Ru10 1 0.35277900 0.33358700 0.75087100 1.0 Ru Ru11 1 0.65335500 0.66860800 0.08120200 1.0 Ru Ru12 1 0.15335500 0.16860800 0.91879800 1.0 Ru Ru13 1 0.14593200 0.16858600 0.58302900 1.0 Ru Ru14 1 0.33139200 0.65335500 0.91879800 1.0 Ru Ru15 1 0.83141400 0.14593200 0.41697100 1.0 Ru Ru16 1 0.16641300 0.85277900 0.75087100 1.0 Ru Ru17 1 0.33141400 0.64593200 0.58302900 1.0 Ru Ru18 1 0.16860800 0.84664500 0.08120200 1.0 Ru Ru19 1 0.35406800 0.33141400 0.41697100 1.0 Ru Ru20 1 0.64593200 0.66858600 0.41697100 1.0 Ru Ru21 1 0.83358700 0.14722100 0.75087100 1.0 Ru Ru22 1 0.66860800 0.34664500 0.91879800 1.0 Ru Ru23 1 0.64722100 0.66641300 0.75087100 1.0 Ru Ru24 1 0.33358700 0.64722100 0.24912900 1.0 Ru Ru25 1 0.34664500 0.33139200 0.08120200 1.0 Ru Ru26 1 0.85406800 0.83141400 0.58302900 1.0 Ru Ru27 1 0.84664500 0.83139200 0.91879800 1.0 O O28 1 0.65872300 0.54796700 0.24956200 1.0 O O29 1 0.85883600 0.69318400 0.08441900 1.0 O O30 1 0.45203300 0.65872300 0.75043800 1.0 O O31 1 0.69939700 0.14969100 0.58457700 1.0 O O32 1 0.66036900 0.54375600 0.91635800 1.0 O O33 1 0.14969100 0.30060300 0.41542300 1.0 O O34 1 0.16036900 0.04375600 0.08364200 1.0 O O35 1 0.15602400 0.04787800 0.41646800 1.0 O O36 1 0.69883800 0.14976800 0.24926900 1.0 O O37 1 0.19939700 0.64969100 0.41542300 1.0 O O38 1 0.34127700 0.45203300 0.24956200 1.0 O O39 1 0.64969100 0.80060300 0.58457700 1.0 O O40 1 0.45624400 0.66036900 0.08364200 1.0 O O41 1 0.84397600 0.95212200 0.41646800 1.0 O O42 1 0.19883800 0.64976800 0.75073100 1.0 O O43 1 0.35883600 0.19318400 0.91558100 1.0 O O44 1 0.95203300 0.15872300 0.24956200 1.0 O O45 1 0.30060300 0.85030900 0.58457700 1.0 O O46 1 0.80681600 0.35883600 0.08441900 1.0 O O47 1 0.54375600 0.33963100 0.08364200 1.0 O O48 1 0.64116400 0.80681600 0.91558100 1.0 O O49 1 0.85023200 0.69883800 0.75073100 1.0 O O50 1 0.35023200 0.19883800 0.24926900 1.0 O O51 1 0.95624400 0.16036900 0.91635800 1.0 O O52 1 0.04375600 0.83963100 0.91635800 1.0 O O53 1 0.80060300 0.35030900 0.41542300 1.0 O O54 1 0.19318400 0.64116400 0.08441900 1.0 O O55 1 0.65602400 0.54787800 0.58353200 1.0 O O56 1 0.04796700 0.84127700 0.24956200 1.0 O O57 1 0.30681600 0.85883600 0.91558100 1.0 O O58 1 0.54787800 0.34397600 0.41646800 1.0 O O59 1 0.80116200 0.35023200 0.75073100 1.0 O O60 1 0.34397600 0.45212200 0.58353200 1.0 O O61 1 0.69318400 0.14116400 0.91558100 1.0 O O62 1 0.14116400 0.30681600 0.08441900 1.0 O O63 1 0.35030900 0.19939700 0.58457700 1.0 O O64 1 0.85030900 0.69939700 0.41542300 1.0 O O65 1 0.95212200 0.15602400 0.58353200 1.0 O O66 1 0.14976800 0.30116200 0.75073100 1.0 O O67 1 0.64976800 0.80116200 0.24926900 1.0 O O68 1 0.04787800 0.84397600 0.58353200 1.0 O O69 1 0.83963100 0.95624400 0.08364200 1.0 O O70 1 0.45212200 0.65602400 0.41646800 1.0 O O71 1 0.84127700 0.95203300 0.75043800 1.0 O O72 1 0.54796700 0.34127700 0.75043800 1.0 O O73 1 0.15872300 0.04796700 0.75043800 1.0 O O74 1 0.30116200 0.85023200 0.24926900 1.0 O O75 1 0.33963100 0.45624400 0.91635800 1.0