# generated using pymatgen data_BaCr2(RuO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.29196700 _cell_length_b 10.08042000 _cell_length_c 10.08042000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCr2(RuO3)4 _chemical_formula_sum 'Ba4 Cr8 Ru16 O48' _cell_volume 944.20199437 _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 0.11593500 0.50000000 0.50000000 1.0 Ba Ba1 1 0.37200700 0.00000000 0.00000000 1.0 Ba Ba2 1 0.54215800 0.50000000 0.50000000 1.0 Ba Ba3 1 0.95718700 0.00000000 0.00000000 1.0 Cr Cr4 1 0.16453000 0.16745100 0.34790300 1.0 Cr Cr5 1 0.16453000 0.83255000 0.65209700 1.0 Cr Cr6 1 0.16453000 0.65209700 0.16745100 1.0 Cr Cr7 1 0.16453000 0.34790300 0.83255000 1.0 Cr Cr8 1 0.00355500 0.33168200 0.15059500 1.0 Cr Cr9 1 0.00355500 0.66831800 0.84940500 1.0 Cr Cr10 1 0.00355500 0.84940500 0.33168200 1.0 Cr Cr11 1 0.00355500 0.15059500 0.66831800 1.0 Ru Ru12 1 0.32918500 0.33460700 0.15063900 1.0 Ru Ru13 1 0.32918500 0.66539300 0.84936100 1.0 Ru Ru14 1 0.32918500 0.84936100 0.33460700 1.0 Ru Ru15 1 0.32918500 0.15063900 0.66539300 1.0 Ru Ru16 1 0.49602000 0.16606600 0.35110800 1.0 Ru Ru17 1 0.49602000 0.83393400 0.64889200 1.0 Ru Ru18 1 0.49602000 0.64889200 0.16606600 1.0 Ru Ru19 1 0.49602000 0.35110800 0.83393400 1.0 Ru Ru20 1 0.83723900 0.16677600 0.35262100 1.0 Ru Ru21 1 0.83723900 0.83322400 0.64737900 1.0 Ru Ru22 1 0.83723900 0.64737900 0.16677600 1.0 Ru Ru23 1 0.83723900 0.35262100 0.83322400 1.0 Ru Ru24 1 0.67094500 0.33285000 0.14691700 1.0 Ru Ru25 1 0.67094500 0.66715000 0.85308300 1.0 Ru Ru26 1 0.67094500 0.85308300 0.33285000 1.0 Ru Ru27 1 0.67094500 0.14691700 0.66715000 1.0 O O28 1 0.16698500 0.45739400 0.16422100 1.0 O O29 1 0.16698500 0.54260600 0.83577900 1.0 O O30 1 0.16698500 0.83577900 0.45739400 1.0 O O31 1 0.16698500 0.16422100 0.54260600 1.0 O O32 1 0.49928600 0.45447300 0.15743800 1.0 O O33 1 0.49928600 0.54552700 0.84256200 1.0 O O34 1 0.49928600 0.84256200 0.45447300 1.0 O O35 1 0.49928600 0.15743800 0.54552700 1.0 O O36 1 0.00403800 0.30094300 0.34848700 1.0 O O37 1 0.00403800 0.69905700 0.65151300 1.0 O O38 1 0.00403800 0.65151300 0.30094300 1.0 O O39 1 0.00403800 0.34848700 0.69905700 1.0 O O40 1 0.66459000 0.29988000 0.34842100 1.0 O O41 1 0.66459000 0.70012000 0.65157900 1.0 O O42 1 0.66459000 0.65157900 0.29988000 1.0 O O43 1 0.66459000 0.34842100 0.70012000 1.0 O O44 1 0.33306300 0.04095500 0.33608500 1.0 O O45 1 0.33306300 0.95904500 0.66391500 1.0 O O46 1 0.33306300 0.66391500 0.04095500 1.0 O O47 1 0.33306300 0.33608500 0.95904500 1.0 O O48 1 0.32935400 0.30567100 0.35093200 1.0 O O49 1 0.32935400 0.69432900 0.64906800 1.0 O O50 1 0.32935400 0.64906800 0.30567100 1.0 O O51 1 0.32935400 0.35093200 0.69432900 1.0 O O52 1 0.83349300 0.45705400 0.16122900 1.0 O O53 1 0.83349300 0.54294600 0.83877100 1.0 O O54 1 0.83349300 0.83877100 0.45705400 1.0 O O55 1 0.83349300 0.16122900 0.54294600 1.0 O O56 1 0.83827400 0.19816800 0.15336300 1.0 O O57 1 0.83827400 0.80183200 0.84663700 1.0 O O58 1 0.83827400 0.84663700 0.19816800 1.0 O O59 1 0.83827400 0.15336300 0.80183200 1.0 O O60 1 0.99887200 0.04372400 0.33545600 1.0 O O61 1 0.99887200 0.95627600 0.66454400 1.0 O O62 1 0.99887200 0.66454400 0.04372400 1.0 O O63 1 0.99887200 0.33545600 0.95627600 1.0 O O64 1 0.16508200 0.19507000 0.14807100 1.0 O O65 1 0.16508200 0.80493000 0.85192900 1.0 O O66 1 0.16508200 0.85192900 0.19507000 1.0 O O67 1 0.16508200 0.14807100 0.80493000 1.0 O O68 1 0.66814500 0.04650900 0.34312500 1.0 O O69 1 0.66814500 0.95349100 0.65687500 1.0 O O70 1 0.66814500 0.65687500 0.04650900 1.0 O O71 1 0.66814500 0.34312500 0.95349100 1.0 O O72 1 0.49997300 0.20082500 0.15102500 1.0 O O73 1 0.49997300 0.79917500 0.84897500 1.0 O O74 1 0.49997300 0.84897500 0.20082500 1.0 O O75 1 0.49997300 0.15102500 0.79917500 1.0