# generated using pymatgen data_Ba4Pr(RuO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99099934 _cell_length_b 5.99099913 _cell_length_c 30.02434551 _cell_angle_alpha 89.06964749 _cell_angle_beta 89.06964862 _cell_angle_gamma 60.07008568 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Pr(RuO4)3 _chemical_formula_sum 'Ba12 Pr3 Ru9 O36' _cell_volume 933.75424435 _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 Ba Ba0 1 0.99754800 0.99754800 0.71810100 1.0 Ba Ba1 1 0.00245200 0.00245200 0.28189900 1.0 Ba Ba2 1 0.00255100 0.00255100 0.13221500 1.0 Ba Ba3 1 0.99744900 0.99744900 0.86778500 1.0 Ba Ba4 1 0.33663700 0.33663700 0.61462000 1.0 Ba Ba5 1 0.66336300 0.66336300 0.38538000 1.0 Ba Ba6 1 0.33505000 0.33505000 0.20354100 1.0 Ba Ba7 1 0.66611000 0.66611000 0.53566400 1.0 Ba Ba8 1 0.33163300 0.33163300 0.05168500 1.0 Ba Ba9 1 0.33389000 0.33389000 0.46433600 1.0 Ba Ba10 1 0.66836700 0.66836700 0.94831500 1.0 Ba Ba11 1 0.66495000 0.66495000 0.79645900 1.0 Pr Pr12 1 0.33298700 0.33298700 0.33344700 1.0 Pr Pr13 1 0.66701300 0.66701300 0.66655300 1.0 Pr Pr14 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru15 1 0.66314600 0.66314600 0.08162600 1.0 Ru Ru16 1 0.33268600 0.33268600 0.83340400 1.0 Ru Ru17 1 0.99352900 0.99352900 0.41506100 1.0 Ru Ru18 1 0.66731400 0.66731400 0.16659600 1.0 Ru Ru19 1 0.00647100 0.00647100 0.58493900 1.0 Ru Ru20 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru21 1 0.33685400 0.33685400 0.91837400 1.0 Ru Ru22 1 0.67109900 0.67109900 0.25152900 1.0 Ru Ru23 1 0.32890100 0.32890100 0.74847100 1.0 O O24 1 0.15832300 0.15832300 0.53849800 1.0 O O25 1 0.50974500 0.97605800 0.12396800 1.0 O O26 1 0.85941900 0.85941900 0.62550700 1.0 O O27 1 0.49025500 0.02394200 0.87603200 1.0 O O28 1 0.17704200 0.17704200 0.79405700 1.0 O O29 1 0.01399700 0.48035600 0.71456500 1.0 O O30 1 0.51964400 0.98600300 0.28543500 1.0 O O31 1 0.65033800 0.18644400 0.95257700 1.0 O O32 1 0.64211300 0.17518200 0.79064100 1.0 O O33 1 0.47933400 0.47933400 0.70955600 1.0 O O34 1 0.17518200 0.64211300 0.79064100 1.0 O O35 1 0.81281600 0.81281600 0.04269500 1.0 O O36 1 0.32198300 0.85790000 0.61839700 1.0 O O37 1 0.82481800 0.35788700 0.20935900 1.0 O O38 1 0.52066600 0.52066600 0.29044400 1.0 O O39 1 0.69205300 0.15813300 0.54294000 1.0 O O40 1 0.84186700 0.30794700 0.45706000 1.0 O O41 1 0.98600300 0.51964400 0.28543500 1.0 O O42 1 0.14210000 0.67801700 0.38160300 1.0 O O43 1 0.18718400 0.18718400 0.95730500 1.0 O O44 1 0.02394200 0.49025500 0.87603200 1.0 O O45 1 0.97605800 0.50974500 0.12396800 1.0 O O46 1 0.51128900 0.51128900 0.12760200 1.0 O O47 1 0.34966200 0.81355600 0.04742300 1.0 O O48 1 0.35788700 0.82481800 0.20935900 1.0 O O49 1 0.15813300 0.69205300 0.54294000 1.0 O O50 1 0.85790000 0.32198300 0.61839700 1.0 O O51 1 0.14058100 0.14058100 0.37449300 1.0 O O52 1 0.48035600 0.01399700 0.71456500 1.0 O O53 1 0.18644400 0.65033800 0.95257700 1.0 O O54 1 0.82295800 0.82295800 0.20594300 1.0 O O55 1 0.81355600 0.34966200 0.04742300 1.0 O O56 1 0.48871100 0.48871100 0.87239800 1.0 O O57 1 0.67801700 0.14210000 0.38160300 1.0 O O58 1 0.84167700 0.84167700 0.46150200 1.0 O O59 1 0.30794700 0.84186700 0.45706000 1.0