# generated using pymatgen data_Sc3Nb4ZnRu8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31617151 _cell_length_b 4.45734226 _cell_length_c 8.93157111 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99967984 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Nb4ZnRu8 _chemical_formula_sum 'Sc3 Nb4 Zn1 Ru8' _cell_volume 251.45354213 _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 Sc Sc0 1 0.25000543 0.75000000 0.37521563 1.0 Sc Sc1 1 0.74999816 0.25000100 0.62506181 1.0 Sc Sc2 1 0.24998438 0.75000000 0.87478999 1.0 Nb Nb3 1 0.24999974 0.25000100 0.12501281 1.0 Nb Nb4 1 0.75000446 0.75000000 0.36372710 1.0 Nb Nb5 1 0.25000541 0.25000100 0.62498431 1.0 Nb Nb6 1 0.74998617 0.75000000 0.88627194 1.0 Zn Zn7 1 0.75001922 0.25000100 0.12497579 1.0 Ru Ru8 1 0.49892150 0.75000000 0.12501886 1.0 Ru Ru9 1 0.00108714 0.75000000 0.12501892 1.0 Ru Ru10 1 0.50078774 0.25000100 0.37420793 1.0 Ru Ru11 1 0.99922274 0.25000100 0.37420939 1.0 Ru Ru12 1 0.99856575 0.75000000 0.62498294 1.0 Ru Ru13 1 0.50142234 0.75000000 0.62498561 1.0 Ru Ru14 1 0.99919167 0.25000100 0.87576813 1.0 Ru Ru15 1 0.50079515 0.25000100 0.87576984 1.0