# generated using pymatgen data_Sm2Sc3(SiGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24768147 _cell_length_b 7.49125186 _cell_length_c 14.16321817 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Sc3(SiGe)2 _chemical_formula_sum 'Sm8 Sc12 Si8 Ge8' _cell_volume 768.98070326 _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 0.00242230 0.17732797 0.09881247 1.0 Sm Sm1 1 0.99757770 0.82267203 0.90118753 1.0 Sm Sm2 1 0.49757770 0.67732797 0.90118753 1.0 Sm Sm3 1 0.99757770 0.82267203 0.59881247 1.0 Sm Sm4 1 0.50242230 0.32267203 0.09881247 1.0 Sm Sm5 1 0.00242230 0.17732797 0.40118753 1.0 Sm Sm6 1 0.50242230 0.32267203 0.40118753 1.0 Sm Sm7 1 0.49757770 0.67732797 0.59881247 1.0 Sc Sc8 1 0.17622218 0.49787758 0.75000000 1.0 Sc Sc9 1 0.82377782 0.50212242 0.25000000 1.0 Sc Sc10 1 0.32377782 0.99787758 0.25000000 1.0 Sc Sc11 1 0.67622218 0.00212242 0.75000000 1.0 Sc Sc12 1 0.34266783 0.17149509 0.62515598 1.0 Sc Sc13 1 0.65733217 0.82850491 0.37484402 1.0 Sc Sc14 1 0.15733217 0.67149509 0.37484402 1.0 Sc Sc15 1 0.65733217 0.82850491 0.12515598 1.0 Sc Sc16 1 0.84266783 0.32850491 0.62515598 1.0 Sc Sc17 1 0.34266783 0.17149509 0.87484402 1.0 Sc Sc18 1 0.84266783 0.32850491 0.87484402 1.0 Sc Sc19 1 0.15733217 0.67149509 0.12515598 1.0 Si Si20 1 0.04732365 0.12000223 0.75000000 1.0 Si Si21 1 0.95267635 0.87999777 0.25000000 1.0 Si Si22 1 0.45267635 0.62000223 0.25000000 1.0 Si Si23 1 0.54732365 0.37999777 0.75000000 1.0 Si Si24 1 0.29628527 0.87791480 0.75000000 1.0 Si Si25 1 0.70371473 0.12208520 0.25000000 1.0 Si Si26 1 0.20371473 0.37791480 0.25000000 1.0 Si Si27 1 0.79628527 0.62208520 0.75000000 1.0 Ge Ge28 1 0.17541571 0.45915225 0.54136302 1.0 Ge Ge29 1 0.82458429 0.54084775 0.45863698 1.0 Ge Ge30 1 0.32458429 0.95915225 0.45863698 1.0 Ge Ge31 1 0.82458429 0.54084775 0.04136302 1.0 Ge Ge32 1 0.67541571 0.04084775 0.54136302 1.0 Ge Ge33 1 0.17541571 0.45915225 0.95863698 1.0 Ge Ge34 1 0.67541571 0.04084775 0.95863698 1.0 Ge Ge35 1 0.32458429 0.95915225 0.04136302 1.0