# generated using pymatgen data_Sm2Nb3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13113389 _cell_length_b 7.13113389 _cell_length_c 13.19408888 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Nb3Si4 _chemical_formula_sum 'Sm8 Nb12 Si16' _cell_volume 670.95993201 _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 0.99780418 0.33940074 0.21749184 1.0 Sm Sm1 1 0.00219582 0.66059926 0.71749184 1.0 Sm Sm2 1 0.16059926 0.49780418 0.46749184 1.0 Sm Sm3 1 0.50219582 0.83940074 0.03250816 1.0 Sm Sm4 1 0.83940074 0.50219582 0.96749184 1.0 Sm Sm5 1 0.49780418 0.16059926 0.53250816 1.0 Sm Sm6 1 0.33940074 0.99780418 0.78250816 1.0 Sm Sm7 1 0.66059926 0.00219582 0.28250816 1.0 Nb Nb8 1 0.17159339 0.17159339 0.00000000 1.0 Nb Nb9 1 0.82840661 0.82840661 0.50000000 1.0 Nb Nb10 1 0.32840661 0.67159339 0.25000000 1.0 Nb Nb11 1 0.67159339 0.32840661 0.75000000 1.0 Nb Nb12 1 0.15403815 0.99010276 0.37599184 1.0 Nb Nb13 1 0.84596185 0.00989724 0.87599184 1.0 Nb Nb14 1 0.50989724 0.65403815 0.62599184 1.0 Nb Nb15 1 0.34596185 0.49010276 0.87400816 1.0 Nb Nb16 1 0.49010276 0.34596185 0.12599184 1.0 Nb Nb17 1 0.65403815 0.50989724 0.37400816 1.0 Nb Nb18 1 0.99010276 0.15403815 0.62400816 1.0 Nb Nb19 1 0.00989724 0.84596185 0.12400816 1.0 Si Si20 1 0.29177865 0.04607023 0.18726142 1.0 Si Si21 1 0.70822135 0.95392977 0.68726142 1.0 Si Si22 1 0.45392977 0.79177865 0.43726142 1.0 Si Si23 1 0.20822135 0.54607023 0.06273858 1.0 Si Si24 1 0.54607023 0.20822135 0.93726142 1.0 Si Si25 1 0.79177865 0.45392977 0.56273858 1.0 Si Si26 1 0.04607023 0.29177865 0.81273858 1.0 Si Si27 1 0.95392977 0.70822135 0.31273858 1.0 Si Si28 1 0.36897202 0.29619452 0.31525403 1.0 Si Si29 1 0.63102798 0.70380548 0.81525403 1.0 Si Si30 1 0.20380548 0.86897202 0.56525403 1.0 Si Si31 1 0.13102798 0.79619452 0.93474597 1.0 Si Si32 1 0.79619452 0.13102798 0.06525403 1.0 Si Si33 1 0.86897202 0.20380548 0.43474597 1.0 Si Si34 1 0.29619452 0.36897202 0.68474597 1.0 Si Si35 1 0.70380548 0.63102798 0.18474597 1.0