# generated using pymatgen data_YbSmB6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70589457 _cell_length_b 9.08808289 _cell_length_c 11.50131006 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbSmB6Ru _chemical_formula_sum 'Yb4 Sm4 B24 Ru4' _cell_volume 387.35810816 _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 Yb Yb0 1 0.00000000 0.94045860 0.36578640 1.0 Yb Yb1 1 0.00000000 0.05954140 0.63421360 1.0 Yb Yb2 1 0.00000000 0.44045860 0.13421360 1.0 Yb Yb3 1 0.00000000 0.55954140 0.86578640 1.0 Sm Sm4 1 0.00000000 0.32178955 0.41415929 1.0 Sm Sm5 1 0.00000000 0.67821045 0.58584071 1.0 Sm Sm6 1 0.00000000 0.82178955 0.08584071 1.0 Sm Sm7 1 0.00000000 0.17821045 0.91415929 1.0 B B8 1 0.50000000 0.55543249 0.43100729 1.0 B B9 1 0.50000000 0.44456751 0.56899271 1.0 B B10 1 0.50000000 0.05543249 0.06899271 1.0 B B11 1 0.50000000 0.94456751 0.93100729 1.0 B B12 1 0.50000000 0.75048275 0.41596744 1.0 B B13 1 0.50000000 0.24951725 0.58403256 1.0 B B14 1 0.50000000 0.25048275 0.08403256 1.0 B B15 1 0.50000000 0.74951725 0.91596744 1.0 B B16 1 0.50000000 0.78916974 0.26520316 1.0 B B17 1 0.50000000 0.21083026 0.73479684 1.0 B B18 1 0.50000000 0.28916974 0.23479684 1.0 B B19 1 0.50000000 0.71083026 0.76520316 1.0 B B20 1 0.50000000 0.62757860 0.18598904 1.0 B B21 1 0.50000000 0.37242140 0.81401096 1.0 B B22 1 0.50000000 0.12757860 0.31401096 1.0 B B23 1 0.50000000 0.87242140 0.68598904 1.0 B B24 1 0.50000000 0.98337518 0.21234514 1.0 B B25 1 0.50000000 0.01662482 0.78765486 1.0 B B26 1 0.50000000 0.48337518 0.28765486 1.0 B B27 1 0.50000000 0.51662482 0.71234514 1.0 B B28 1 0.50000000 0.59259476 0.02579025 1.0 B B29 1 0.50000000 0.40740524 0.97420975 1.0 B B30 1 0.50000000 0.09259476 0.47420975 1.0 B B31 1 0.50000000 0.90740524 0.52579025 1.0 Ru Ru32 1 0.00000000 0.63836964 0.31972042 1.0 Ru Ru33 1 0.00000000 0.36163036 0.68027958 1.0 Ru Ru34 1 0.00000000 0.13836964 0.18027958 1.0 Ru Ru35 1 0.00000000 0.86163036 0.81972042 1.0