# generated using pymatgen data_KBa3(AsRu)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91318959 _cell_length_b 9.26909035 _cell_length_c 8.33306665 _cell_angle_alpha 63.32204847 _cell_angle_beta 72.49869331 _cell_angle_gamma 97.63235360 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBa3(AsRu)8 _chemical_formula_sum 'K1 Ba3 As8 Ru8' _cell_volume 431.98452301 _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 K K0 1 0.00000000 0.00000000 0.00000000 1.0 Ba Ba1 1 0.99997443 0.49354008 0.75326721 1.0 Ba Ba2 1 0.00000000 0.00000000 0.50000000 1.0 Ba Ba3 1 0.00002557 0.50645992 0.24673279 1.0 As As4 1 0.30221867 0.32607378 0.51091708 1.0 As As5 1 0.30226274 0.32513635 0.01190894 1.0 As As6 1 0.30455999 0.82606271 0.26076652 1.0 As As7 1 0.30303892 0.82562367 0.76098129 1.0 As As8 1 0.69778133 0.67392622 0.48908292 1.0 As As9 1 0.69773726 0.67486365 0.98809106 1.0 As As10 1 0.69696108 0.17437633 0.23901871 1.0 As As11 1 0.69544001 0.17393729 0.73923348 1.0 Ru Ru12 1 0.50266424 0.62539863 0.31156451 1.0 Ru Ru13 1 0.50197309 0.62505944 0.81193656 1.0 Ru Ru14 1 0.50172231 0.12567612 0.06205859 1.0 Ru Ru15 1 0.50116596 0.12562565 0.56156881 1.0 Ru Ru16 1 0.49733576 0.37460137 0.68843549 1.0 Ru Ru17 1 0.49802691 0.37494056 0.18806344 1.0 Ru Ru18 1 0.49883404 0.87437435 0.43843119 1.0 Ru Ru19 1 0.49827769 0.87432388 0.93794141 1.0