# generated using pymatgen data_Sc8Ta3Nb9Si16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69957722 _cell_length_b 6.89644214 _cell_length_c 13.11280167 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00269886 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Ta3Nb9Si16 _chemical_formula_sum 'Sc8 Ta3 Nb9 Si16' _cell_volume 605.85400906 _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 0.50210337 0.67382164 0.59660209 1.0 Sc Sc1 1 0.00224173 0.82595633 0.90342612 1.0 Sc Sc2 1 0.49785974 0.32609138 0.09623810 1.0 Sc Sc3 1 0.99776728 0.17396458 0.40376333 1.0 Sc Sc4 1 0.49785974 0.32609138 0.40376190 1.0 Sc Sc5 1 0.99776728 0.17396458 0.09623667 1.0 Sc Sc6 1 0.50210337 0.67382164 0.90339791 1.0 Sc Sc7 1 0.00224173 0.82595633 0.59657388 1.0 Ta Ta8 1 0.83805929 0.49410283 0.75000000 1.0 Ta Ta9 1 0.33801895 0.00601024 0.75000000 1.0 Ta Ta10 1 0.16211164 0.50619734 0.25000000 1.0 Nb Nb11 1 0.66340118 0.17622997 0.62522471 1.0 Nb Nb12 1 0.16345208 0.32374026 0.87490901 1.0 Nb Nb13 1 0.33670385 0.82379592 0.12498560 1.0 Nb Nb14 1 0.83668557 0.67610089 0.37507768 1.0 Nb Nb15 1 0.33670385 0.82379592 0.37501440 1.0 Nb Nb16 1 0.83668557 0.67610089 0.12492232 1.0 Nb Nb17 1 0.66340118 0.17622997 0.87477529 1.0 Nb Nb18 1 0.16345208 0.32374026 0.62509099 1.0 Nb Nb19 1 0.66204965 0.99508496 0.25000000 1.0 Si Si20 1 0.66723392 0.96765859 0.46115182 1.0 Si Si21 1 0.16722181 0.53178021 0.03951490 1.0 Si Si22 1 0.33277435 0.03168057 0.96033516 1.0 Si Si23 1 0.83272922 0.46813920 0.53959256 1.0 Si Si24 1 0.33277435 0.03168057 0.53966484 1.0 Si Si25 1 0.83272922 0.46813920 0.96040744 1.0 Si Si26 1 0.66723392 0.96765859 0.03884818 1.0 Si Si27 1 0.16722181 0.53178021 0.46048510 1.0 Si Si28 1 0.46012498 0.38728217 0.75000000 1.0 Si Si29 1 0.96022102 0.11281880 0.75000000 1.0 Si Si30 1 0.53980345 0.61234568 0.25000000 1.0 Si Si31 1 0.04008306 0.88685517 0.25000000 1.0 Si Si32 1 0.70478717 0.86316024 0.75000000 1.0 Si Si33 1 0.20475967 0.63676188 0.75000000 1.0 Si Si34 1 0.29403338 0.13700706 0.25000000 1.0 Si Si35 1 0.79559754 0.36445954 0.25000000 1.0