# generated using pymatgen data_Sm10B2I15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.75587683 _cell_length_b 10.54567379 _cell_length_c 11.44978329 _cell_angle_alpha 91.51862394 _cell_angle_beta 114.42778217 _cell_angle_gamma 110.60172469 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm10B2I15 _chemical_formula_sum 'Sm10 B2 I15' _cell_volume 983.27972561 _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 Sm Sm0 1 0.79002206 0.39793910 0.27142409 1.0 Sm Sm1 1 0.20997794 0.60206090 0.72857591 1.0 Sm Sm2 1 0.66574616 0.75037266 0.82359419 1.0 Sm Sm3 1 0.33425384 0.24962734 0.17640581 1.0 Sm Sm4 1 0.52312046 0.71221824 0.08839305 1.0 Sm Sm5 1 0.47687954 0.28778176 0.91160695 1.0 Sm Sm6 1 0.58194165 0.04105538 0.31337930 1.0 Sm Sm7 1 0.41805835 0.95894462 0.68662070 1.0 Sm Sm8 1 0.71120200 0.07061863 0.04617825 1.0 Sm Sm9 1 0.28879800 0.92938137 0.95382175 1.0 B B10 1 0.46678925 0.81886579 0.87602056 1.0 B B11 1 0.53321075 0.18113421 0.12397944 1.0 I I12 1 0.00000000 0.00000000 0.00000000 1.0 I I13 1 0.63839911 0.88255217 0.58081240 1.0 I I14 1 0.36160089 0.11744783 0.41918760 1.0 I I15 1 0.88498356 0.29864649 0.53364679 1.0 I I16 1 0.11501644 0.70135351 0.46635321 1.0 I I17 1 0.28091231 0.75805939 0.17792963 1.0 I I18 1 0.71908769 0.24194061 0.82207037 1.0 I I19 1 0.05698749 0.34064595 0.22636087 1.0 I I20 1 0.15680164 0.05645227 0.70036720 1.0 I I21 1 0.84319836 0.94354773 0.29963280 1.0 I I22 1 0.22801168 0.40923867 0.94146575 1.0 I I23 1 0.77198832 0.59076133 0.05853425 1.0 I I24 1 0.40873959 0.45879155 0.65840766 1.0 I I25 1 0.59126041 0.54120845 0.34159234 1.0 I I26 1 0.94301251 0.65935405 0.77363913 1.0