# generated using pymatgen data_Sm3Sc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26248206 _cell_length_b 7.26246742 _cell_length_c 5.62065915 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00009982 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Sc _chemical_formula_sum 'Sm6 Sc2' _cell_volume 256.73596666 _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 Sm Sm0 1 0.17048189 0.34096378 0.25000000 1.0 Sm Sm1 1 0.65903722 0.82951811 0.25000000 1.0 Sm Sm2 1 0.17048289 0.82951811 0.25000000 1.0 Sm Sm3 1 0.82952330 0.17047770 0.75000100 1.0 Sm Sm4 1 0.34095441 0.17047870 0.75000100 1.0 Sm Sm5 1 0.82952330 0.65904659 0.75000100 1.0 Sc Sc6 1 0.66666700 0.33333300 0.25000000 1.0 Sc Sc7 1 0.33333400 0.66666800 0.75000100 1.0