# generated using pymatgen data_Sm3Zn22 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74484798 _cell_length_b 8.74484798 _cell_length_c 12.15851775 _cell_angle_alpha 111.07675135 _cell_angle_beta 111.07675135 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Zn22 _chemical_formula_sum 'Sm6 Zn44' _cell_volume 800.56509988 _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 0.49640138 0.74640138 0.99280375 1.0 Sm Sm1 1 0.74640138 0.49640138 0.49280375 1.0 Sm Sm2 1 0.50359862 0.25359862 0.00719625 1.0 Sm Sm3 1 0.25359862 0.50359862 0.50719625 1.0 Sm Sm4 1 0.12500000 0.87500000 0.25000000 1.0 Sm Sm5 1 0.87500000 0.12500000 0.75000000 1.0 Zn Zn6 1 0.42135462 0.19629524 0.37756928 1.0 Zn Zn7 1 0.42135462 0.68127404 0.37756928 1.0 Zn Zn8 1 0.19629524 0.42135462 0.87756928 1.0 Zn Zn9 1 0.19629524 0.95621466 0.87756928 1.0 Zn Zn10 1 0.95621466 0.19629524 0.37756928 1.0 Zn Zn11 1 0.95621466 0.68127404 0.37756928 1.0 Zn Zn12 1 0.68127404 0.42135462 0.87756928 1.0 Zn Zn13 1 0.68127404 0.95621466 0.87756928 1.0 Zn Zn14 1 0.57864538 0.80370476 0.62243072 1.0 Zn Zn15 1 0.57864538 0.31872596 0.62243072 1.0 Zn Zn16 1 0.80370476 0.57864538 0.12243072 1.0 Zn Zn17 1 0.80370476 0.04378534 0.12243072 1.0 Zn Zn18 1 0.04378534 0.80370476 0.62243072 1.0 Zn Zn19 1 0.04378534 0.31872596 0.62243072 1.0 Zn Zn20 1 0.31872596 0.57864538 0.12243072 1.0 Zn Zn21 1 0.31872596 0.04378534 0.12243072 1.0 Zn Zn22 1 0.15003539 0.62337809 0.74675819 1.0 Zn Zn23 1 0.62337809 0.15003539 0.24675819 1.0 Zn Zn24 1 0.62337809 0.59672180 0.24675819 1.0 Zn Zn25 1 0.59672180 0.62337809 0.74675819 1.0 Zn Zn26 1 0.84996461 0.37662191 0.25324181 1.0 Zn Zn27 1 0.37662191 0.84996461 0.75324181 1.0 Zn Zn28 1 0.37662191 0.40327820 0.75324181 1.0 Zn Zn29 1 0.40327820 0.37662191 0.25324181 1.0 Zn Zn30 1 0.48575176 0.88289801 0.26579502 1.0 Zn Zn31 1 0.88289801 0.48575176 0.76579502 1.0 Zn Zn32 1 0.88289801 0.78004525 0.76579502 1.0 Zn Zn33 1 0.78004525 0.88289801 0.26579502 1.0 Zn Zn34 1 0.51424824 0.11710199 0.73420498 1.0 Zn Zn35 1 0.11710199 0.51424824 0.23420498 1.0 Zn Zn36 1 0.11710199 0.21995475 0.23420498 1.0 Zn Zn37 1 0.21995475 0.11710199 0.73420498 1.0 Zn Zn38 1 0.83503554 0.73713453 0.97427006 1.0 Zn Zn39 1 0.73713453 0.83503554 0.47427006 1.0 Zn Zn40 1 0.73713453 0.13923452 0.47427006 1.0 Zn Zn41 1 0.13923452 0.73713453 0.97427006 1.0 Zn Zn42 1 0.16496446 0.26286547 0.02572994 1.0 Zn Zn43 1 0.26286547 0.16496446 0.52572994 1.0 Zn Zn44 1 0.26286547 0.86076548 0.52572994 1.0 Zn Zn45 1 0.86076548 0.26286547 0.02572994 1.0 Zn Zn46 1 0.50000000 -0.00000000 0.50000000 1.0 Zn Zn47 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn48 1 0.00000000 -0.00000000 0.00000000 1.0 Zn Zn49 1 0.00000000 -0.00000000 0.50000000 1.0