# generated using pymatgen data_Sm2Sc3Ga3Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.29623910 _cell_length_b 7.55187255 _cell_length_c 14.47727081 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Sc3Ga3Si _chemical_formula_sum 'Sm8 Sc12 Ga12 Si4' _cell_volume 797.70149790 _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 0.01309321 0.17810967 0.09679875 1.0 Sm Sm1 1 0.98690679 0.82189033 0.90320125 1.0 Sm Sm2 1 0.48690679 0.67810967 0.90320125 1.0 Sm Sm3 1 0.98690679 0.82189033 0.59679875 1.0 Sm Sm4 1 0.51309321 0.32189033 0.09679875 1.0 Sm Sm5 1 0.01309321 0.17810967 0.40320125 1.0 Sm Sm6 1 0.51309321 0.32189033 0.40320125 1.0 Sm Sm7 1 0.48690679 0.67810967 0.59679875 1.0 Sc Sc8 1 0.16187215 0.50247912 0.75000000 1.0 Sc Sc9 1 0.83812785 0.49752088 0.25000000 1.0 Sc Sc10 1 0.33812785 0.00247912 0.25000000 1.0 Sc Sc11 1 0.66187215 0.99752088 0.75000000 1.0 Sc Sc12 1 0.32962099 0.17265978 0.62304958 1.0 Sc Sc13 1 0.67037901 0.82734022 0.37695042 1.0 Sc Sc14 1 0.17037901 0.67265978 0.37695042 1.0 Sc Sc15 1 0.67037901 0.82734022 0.12304958 1.0 Sc Sc16 1 0.82962099 0.32734022 0.62304958 1.0 Sc Sc17 1 0.32962099 0.17265978 0.87695042 1.0 Sc Sc18 1 0.82962099 0.32734022 0.87695042 1.0 Sc Sc19 1 0.17037901 0.67265978 0.12304958 1.0 Ga Ga20 1 0.03325770 0.11591644 0.75000000 1.0 Ga Ga21 1 0.96674230 0.88408356 0.25000000 1.0 Ga Ga22 1 0.46674230 0.61591644 0.25000000 1.0 Ga Ga23 1 0.53325770 0.38408356 0.75000000 1.0 Ga Ga24 1 0.15741410 0.46421580 0.54083835 1.0 Ga Ga25 1 0.84258590 0.53578420 0.45916165 1.0 Ga Ga26 1 0.34258590 0.96421580 0.45916165 1.0 Ga Ga27 1 0.84258590 0.53578420 0.04083835 1.0 Ga Ga28 1 0.65741410 0.03578420 0.54083835 1.0 Ga Ga29 1 0.15741410 0.46421580 0.95916165 1.0 Ga Ga30 1 0.65741410 0.03578420 0.95916165 1.0 Ga Ga31 1 0.34258590 0.96421580 0.04083835 1.0 Si Si32 1 0.28329748 0.88035181 0.75000000 1.0 Si Si33 1 0.71670252 0.11964819 0.25000000 1.0 Si Si34 1 0.21670252 0.38035181 0.25000000 1.0 Si Si35 1 0.78329748 0.61964819 0.75000000 1.0