# generated using pymatgen data_Ba4Pr(RuO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98880050 _cell_length_b 5.98879989 _cell_length_c 30.17999223 _cell_angle_alpha 88.42359264 _cell_angle_beta 88.42359319 _cell_angle_gamma 60.02536880 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Pr(RuO4)3 _chemical_formula_sum 'Ba12 Pr3 Ru9 O36' _cell_volume 937.17583793 _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 0.99654300 0.99654300 0.72032500 1.0 Ba Ba1 1 0.00345700 0.00345700 0.27967500 1.0 Ba Ba2 1 0.00010000 0.00010000 0.13062100 1.0 Ba Ba3 1 0.99990000 0.99990000 0.86937900 1.0 Ba Ba4 1 0.33860700 0.33860700 0.61312700 1.0 Ba Ba5 1 0.66139300 0.66139300 0.38687300 1.0 Ba Ba6 1 0.33283900 0.33283900 0.20280900 1.0 Ba Ba7 1 0.66663400 0.66663400 0.53600000 1.0 Ba Ba8 1 0.32945000 0.32945000 0.05381000 1.0 Ba Ba9 1 0.33336600 0.33336600 0.46400000 1.0 Ba Ba10 1 0.67055000 0.67055000 0.94619000 1.0 Ba Ba11 1 0.66716100 0.66716100 0.79719100 1.0 Pr Pr12 1 0.33214200 0.33214200 0.33324200 1.0 Pr Pr13 1 0.66785800 0.66785800 0.66675800 1.0 Pr Pr14 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru15 1 0.65814600 0.65814600 0.08183900 1.0 Ru Ru16 1 0.33374000 0.33374000 0.83324400 1.0 Ru Ru17 1 0.98976600 0.98976600 0.41514200 1.0 Ru Ru18 1 0.66626000 0.66626000 0.16675600 1.0 Ru Ru19 1 0.01023400 0.01023400 0.58485800 1.0 Ru Ru20 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru21 1 0.34185400 0.34185400 0.91816100 1.0 Ru Ru22 1 0.67475100 0.67475100 0.25151800 1.0 Ru Ru23 1 0.32524900 0.32524900 0.74848200 1.0 O O24 1 0.15870700 0.15870700 0.53716600 1.0 O O25 1 0.50925000 0.97222600 0.12365500 1.0 O O26 1 0.86464100 0.86464100 0.62649900 1.0 O O27 1 0.49075000 0.02777400 0.87634500 1.0 O O28 1 0.17554300 0.17554300 0.79563300 1.0 O O29 1 0.00520600 0.47471400 0.71615800 1.0 O O30 1 0.52528600 0.99479400 0.28384200 1.0 O O31 1 0.66124600 0.19215000 0.95042200 1.0 O O32 1 0.63969900 0.17684100 0.79011400 1.0 O O33 1 0.47242700 0.47242700 0.70710600 1.0 O O34 1 0.17684100 0.63969900 0.79011400 1.0 O O35 1 0.80550700 0.80550700 0.04101000 1.0 O O36 1 0.33096100 0.86176400 0.61665200 1.0 O O37 1 0.82315900 0.36030100 0.20988600 1.0 O O38 1 0.52757300 0.52757300 0.29289400 1.0 O O39 1 0.69474600 0.15808000 0.54332400 1.0 O O40 1 0.84192000 0.30525400 0.45667600 1.0 O O41 1 0.99479400 0.52528600 0.28384200 1.0 O O42 1 0.13823700 0.66903900 0.38334800 1.0 O O43 1 0.19449300 0.19449300 0.95899000 1.0 O O44 1 0.02777400 0.49075000 0.87634500 1.0 O O45 1 0.97222600 0.50925000 0.12365500 1.0 O O46 1 0.50814200 0.50814200 0.12907100 1.0 O O47 1 0.33875400 0.80785000 0.04957800 1.0 O O48 1 0.36030100 0.82315900 0.20988600 1.0 O O49 1 0.15808000 0.69474600 0.54332400 1.0 O O50 1 0.86176400 0.33096100 0.61665200 1.0 O O51 1 0.13535900 0.13535900 0.37350100 1.0 O O52 1 0.47471400 0.00520600 0.71615800 1.0 O O53 1 0.19215000 0.66124600 0.95042200 1.0 O O54 1 0.82445700 0.82445700 0.20436700 1.0 O O55 1 0.80785000 0.33875400 0.04957800 1.0 O O56 1 0.49185800 0.49185800 0.87092900 1.0 O O57 1 0.66903900 0.13823700 0.38334800 1.0 O O58 1 0.84129300 0.84129300 0.46283400 1.0 O O59 1 0.30525400 0.84192000 0.45667600 1.0