# generated using pymatgen data_Sm5Mg41 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.59191948 _cell_length_b 11.59191948 _cell_length_c 11.59191948 _cell_angle_alpha 101.50073046 _cell_angle_beta 101.50073046 _cell_angle_gamma 126.95869653 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm5Mg41 _chemical_formula_sum 'Sm5 Mg41' _cell_volume 1113.68796640 _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 0.00000000 0.00000000 0.00000000 1.0 Sm Sm1 1 0.76389800 0.42869900 0.19259800 1.0 Sm Sm2 1 0.23610200 0.57130100 0.80740200 1.0 Sm Sm3 1 0.42869900 0.23610200 0.66480100 1.0 Sm Sm4 1 0.57130100 0.76389800 0.33519900 1.0 Mg Mg5 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg6 1 0.50000000 0.00000000 0.00000000 1.0 Mg Mg7 1 0.00000000 0.50000000 0.00000000 1.0 Mg Mg8 1 0.00000000 0.00000000 0.50000000 1.0 Mg Mg9 1 0.50000000 0.50000000 0.50000000 1.0 Mg Mg10 1 0.00956000 0.40253000 0.41209000 1.0 Mg Mg11 1 0.99044000 0.59747000 0.58791000 1.0 Mg Mg12 1 0.40253000 0.99044000 0.39297000 1.0 Mg Mg13 1 0.59747000 0.00956000 0.60703000 1.0 Mg Mg14 1 0.87790000 0.22191500 0.09981500 1.0 Mg Mg15 1 0.12210000 0.77808500 0.90018500 1.0 Mg Mg16 1 0.22191500 0.12210000 0.34401500 1.0 Mg Mg17 1 0.77808500 0.87790000 0.65598500 1.0 Mg Mg18 1 0.65872700 0.21733700 0.87606400 1.0 Mg Mg19 1 0.34127300 0.78266300 0.12393600 1.0 Mg Mg20 1 0.21733700 0.34127300 0.55861000 1.0 Mg Mg21 1 0.78266300 0.65872700 0.44139000 1.0 Mg Mg22 1 0.62579400 0.91367000 0.83429100 1.0 Mg Mg23 1 0.07937900 0.79150300 0.16570900 1.0 Mg Mg24 1 0.91367000 0.07937900 0.28787600 1.0 Mg Mg25 1 0.79150300 0.62579400 0.71212400 1.0 Mg Mg26 1 0.37420600 0.08633000 0.16570900 1.0 Mg Mg27 1 0.92062100 0.20849700 0.83429100 1.0 Mg Mg28 1 0.08633000 0.92062100 0.71212400 1.0 Mg Mg29 1 0.20849700 0.37420600 0.28787600 1.0 Mg Mg30 1 0.38724500 0.17418200 0.94074300 1.0 Mg Mg31 1 0.23343900 0.44650300 0.05925700 1.0 Mg Mg32 1 0.17418200 0.23343900 0.78693700 1.0 Mg Mg33 1 0.44650300 0.38724500 0.21306300 1.0 Mg Mg34 1 0.61275500 0.82581800 0.05925700 1.0 Mg Mg35 1 0.76656100 0.55349700 0.94074300 1.0 Mg Mg36 1 0.82581800 0.76656100 0.21306300 1.0 Mg Mg37 1 0.55349700 0.61275500 0.78693700 1.0 Mg Mg38 1 0.66450500 0.10800900 0.28974500 1.0 Mg Mg39 1 0.81826400 0.37476000 0.71025500 1.0 Mg Mg40 1 0.10800900 0.81826400 0.44350400 1.0 Mg Mg41 1 0.37476000 0.66450500 0.55649600 1.0 Mg Mg42 1 0.33549500 0.89199100 0.71025500 1.0 Mg Mg43 1 0.18173600 0.62524000 0.28974500 1.0 Mg Mg44 1 0.89199100 0.18173600 0.55649600 1.0 Mg Mg45 1 0.62524000 0.33549500 0.44350400 1.0