# generated using pymatgen data_Sm(BRu)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.20149136 _cell_length_b 9.20149918 _cell_length_c 9.20105425 _cell_angle_alpha 131.96152499 _cell_angle_beta 131.96146286 _cell_angle_gamma 70.29516088 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm(BRu)4 _chemical_formula_sum 'Sm4 B16 Ru16' _cell_volume 422.15830485 _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 Sm Sm0 1 0.25001923 0.24999398 -0.00000644 1.0 Sm Sm1 1 0.74999493 0.75003509 0.00000784 1.0 Sm Sm2 1 0.49997638 -0.00000064 0.50000003 1.0 Sm Sm3 1 0.00001110 0.49997328 0.50000116 1.0 B B4 1 0.22386887 0.91463965 0.97560386 1.0 B B5 1 0.72384112 0.74827129 0.30917302 1.0 B B6 1 0.16464401 0.97387440 0.47560653 1.0 B B7 1 0.66467575 0.18908303 0.19080649 1.0 B B8 1 0.52612833 0.33535933 0.52439399 1.0 B B9 1 0.02616149 0.50173258 0.19083156 1.0 B B10 1 0.58535506 0.27612365 0.02439274 1.0 B B11 1 0.08532343 0.06091301 0.30918851 1.0 B B12 1 0.43908138 0.41467150 0.69080897 1.0 B B13 1 0.93903021 0.24825620 0.02440290 1.0 B B14 1 0.99827483 0.47384413 0.80917228 1.0 B B15 1 0.49825951 0.68903523 0.52440250 1.0 B B16 1 0.31091545 0.83532880 0.80918719 1.0 B B17 1 0.81097219 0.00174024 0.47559675 1.0 B B18 1 0.75172863 0.77615824 0.69083102 1.0 B B19 1 0.25173741 0.56096822 0.97559847 1.0 Ru Ru20 1 0.54211878 0.07304862 0.23823336 1.0 Ru Ru21 1 0.04213850 0.80388786 0.46910170 1.0 Ru Ru22 1 0.32303323 0.29209619 0.73823477 1.0 Ru Ru23 1 0.82302354 0.08476472 0.03091031 1.0 Ru Ru24 1 0.20787388 0.17694019 0.26175240 1.0 Ru Ru25 1 0.70786950 0.44611899 0.03090891 1.0 Ru Ru26 1 0.42695821 0.95789670 0.76175562 1.0 Ru Ru27 1 0.92698110 0.16522330 0.46908443 1.0 Ru Ru28 1 0.33477778 0.57304541 0.53090965 1.0 Ru Ru29 1 0.83484791 0.30390328 0.76181437 1.0 Ru Ru30 1 0.05386719 0.79212248 0.96910012 1.0 Ru Ru31 1 0.55388923 0.58482988 0.26181488 1.0 Ru Ru32 1 0.41521179 0.67696195 0.96908827 1.0 Ru Ru33 1 0.91516256 0.94609211 0.73819101 1.0 Ru Ru34 1 0.69613810 0.45788505 0.53090704 1.0 Ru Ru35 1 0.19610941 0.66518207 0.23819376 1.0