# generated using pymatgen data_Sm2Sc3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16747631 _cell_length_b 7.48108705 _cell_length_c 14.12366386 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Sc3Si4 _chemical_formula_sum 'Sm8 Sc12 Si16' _cell_volume 757.31811862 _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 0.01190297 0.17420364 0.09777526 1.0 Sm Sm1 1 0.98809703 0.82579636 0.90222474 1.0 Sm Sm2 1 0.48809703 0.67420364 0.90222474 1.0 Sm Sm3 1 0.98809703 0.82579636 0.59777526 1.0 Sm Sm4 1 0.51190297 0.32579636 0.09777526 1.0 Sm Sm5 1 0.01190297 0.17420364 0.40222474 1.0 Sm Sm6 1 0.51190297 0.32579636 0.40222474 1.0 Sm Sm7 1 0.48809703 0.67420364 0.59777526 1.0 Sc Sc8 1 0.16209211 0.50159637 0.75000000 1.0 Sc Sc9 1 0.83790789 0.49840363 0.25000000 1.0 Sc Sc10 1 0.33790789 0.00159637 0.25000000 1.0 Sc Sc11 1 0.66209211 0.99840363 0.75000000 1.0 Sc Sc12 1 0.32939365 0.17635375 0.62544309 1.0 Sc Sc13 1 0.67060635 0.82364625 0.37455691 1.0 Sc Sc14 1 0.17060635 0.67635375 0.37455691 1.0 Sc Sc15 1 0.67060635 0.82364625 0.12544309 1.0 Sc Sc16 1 0.82939365 0.32364625 0.62544309 1.0 Sc Sc17 1 0.32939365 0.17635375 0.87455691 1.0 Sc Sc18 1 0.82939365 0.32364625 0.87455691 1.0 Sc Sc19 1 0.17060635 0.67635375 0.12544309 1.0 Si Si20 1 0.03399739 0.12075776 0.75000000 1.0 Si Si21 1 0.96600261 0.87924224 0.25000000 1.0 Si Si22 1 0.46600261 0.62075776 0.25000000 1.0 Si Si23 1 0.53399739 0.37924224 0.75000000 1.0 Si Si24 1 0.28646588 0.87783138 0.75000000 1.0 Si Si25 1 0.71353412 0.12216862 0.25000000 1.0 Si Si26 1 0.21353412 0.37783138 0.25000000 1.0 Si Si27 1 0.78646588 0.62216862 0.75000000 1.0 Si Si28 1 0.15431063 0.46423040 0.53910552 1.0 Si Si29 1 0.84568937 0.53576960 0.46089448 1.0 Si Si30 1 0.34568937 0.96423040 0.46089448 1.0 Si Si31 1 0.84568937 0.53576960 0.03910552 1.0 Si Si32 1 0.65431063 0.03576960 0.53910552 1.0 Si Si33 1 0.15431063 0.46423040 0.96089448 1.0 Si Si34 1 0.65431063 0.03576960 0.96089448 1.0 Si Si35 1 0.34568937 0.96423040 0.03910552 1.0