# generated using pymatgen data_Sc4ReB12Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51157246 _cell_length_b 8.87541123 _cell_length_c 11.18931630 _cell_angle_alpha 90.12883381 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4ReB12Os _chemical_formula_sum 'Sc8 Re2 B24 Os2' _cell_volume 348.73261924 _cell_formula_units_Z 2 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 Sc Sc0 1 0.00000000 0.31733101 0.41235764 1.0 Sc Sc1 1 0.00000000 0.68266899 0.58764236 1.0 Sc Sc2 1 0.00000000 0.82341327 0.08396317 1.0 Sc Sc3 1 0.00000000 0.17658673 0.91603683 1.0 Sc Sc4 1 0.00000000 0.94405101 0.37176291 1.0 Sc Sc5 1 0.00000000 0.05594899 0.62823709 1.0 Sc Sc6 1 0.00000000 0.44303379 0.12784579 1.0 Sc Sc7 1 0.00000000 0.55696621 0.87215421 1.0 Re Re8 1 0.00000000 0.13851892 0.18020306 1.0 Re Re9 1 0.00000000 0.86148108 0.81979694 1.0 B B10 1 0.50000000 0.55330946 0.43505066 1.0 B B11 1 0.50000000 0.44669054 0.56494934 1.0 B B12 1 0.50000000 0.05266099 0.06524876 1.0 B B13 1 0.50000000 0.94733901 0.93475124 1.0 B B14 1 0.50000000 0.75211424 0.42105117 1.0 B B15 1 0.50000000 0.24788576 0.57894883 1.0 B B16 1 0.50000000 0.25219124 0.07880605 1.0 B B17 1 0.50000000 0.74780876 0.92119395 1.0 B B18 1 0.50000000 0.79340094 0.26459599 1.0 B B19 1 0.50000000 0.20659906 0.73540401 1.0 B B20 1 0.50000000 0.29453515 0.23604488 1.0 B B21 1 0.50000000 0.70546485 0.76395512 1.0 B B22 1 0.50000000 0.62972939 0.18300714 1.0 B B23 1 0.50000000 0.37027061 0.81699286 1.0 B B24 1 0.50000000 0.12976663 0.31760595 1.0 B B25 1 0.50000000 0.87023337 0.68239405 1.0 B B26 1 0.50000000 0.97868512 0.21284882 1.0 B B27 1 0.50000000 0.02131488 0.78715118 1.0 B B28 1 0.50000000 0.47953609 0.28765492 1.0 B B29 1 0.50000000 0.52046391 0.71234508 1.0 B B30 1 0.50000000 0.59995178 0.02778683 1.0 B B31 1 0.50000000 0.40004822 0.97221317 1.0 B B32 1 0.50000000 0.10028113 0.47246755 1.0 B B33 1 0.50000000 0.89971887 0.52753245 1.0 Os Os34 1 0.00000000 0.63798498 0.32125056 1.0 Os Os35 1 0.00000000 0.36201502 0.67874944 1.0