# generated using pymatgen data_Sc8Nb9Si16W3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63150847 _cell_length_b 6.86525698 _cell_length_c 13.04980523 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.01299196 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Nb9Si16W3 _chemical_formula_sum 'Sc8 Nb9 Si16 W3' _cell_volume 594.11859501 _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 0.50038891 0.32535477 0.09436427 1.0 Sc Sc1 1 0.00058867 0.17506831 0.40547686 1.0 Sc Sc2 1 0.49900798 0.67436083 0.59438743 1.0 Sc Sc3 1 0.99823286 0.82545241 0.90565537 1.0 Sc Sc4 1 0.49900798 0.67436083 0.90561257 1.0 Sc Sc5 1 0.99823286 0.82545241 0.59434463 1.0 Sc Sc6 1 0.50038891 0.32535477 0.40563573 1.0 Sc Sc7 1 0.00058867 0.17506831 0.09452314 1.0 Nb Nb8 1 0.83450009 0.32798783 0.62470487 1.0 Nb Nb9 1 0.33408090 0.17354423 0.87549879 1.0 Nb Nb10 1 0.16622096 0.67139956 0.12570894 1.0 Nb Nb11 1 0.66641313 0.82828797 0.37371901 1.0 Nb Nb12 1 0.16622096 0.67139956 0.37429106 1.0 Nb Nb13 1 0.66641313 0.82828797 0.12628099 1.0 Nb Nb14 1 0.83450009 0.32798783 0.87529513 1.0 Nb Nb15 1 0.33408090 0.17354423 0.62450121 1.0 Nb Nb16 1 0.66038323 0.00513291 0.75000000 1.0 Si Si17 1 0.66805630 0.03353309 0.53909786 1.0 Si Si18 1 0.16812703 0.46660868 0.95912852 1.0 Si Si19 1 0.33193705 0.96645502 0.04153873 1.0 Si Si20 1 0.83157476 0.53394248 0.45883378 1.0 Si Si21 1 0.33193705 0.96645502 0.45846127 1.0 Si Si22 1 0.83157476 0.53394248 0.04116622 1.0 Si Si23 1 0.66805630 0.03353309 0.96090214 1.0 Si Si24 1 0.16812703 0.46660868 0.54087148 1.0 Si Si25 1 0.53366438 0.38956901 0.75000000 1.0 Si Si26 1 0.03812707 0.11290464 0.75000000 1.0 Si Si27 1 0.46615206 0.61056669 0.25000000 1.0 Si Si28 1 0.96680458 0.88979781 0.25000000 1.0 Si Si29 1 0.79701004 0.63646228 0.75000000 1.0 Si Si30 1 0.29133213 0.85705572 0.75000000 1.0 Si Si31 1 0.20397569 0.35845052 0.25000000 1.0 Si Si32 1 0.70401803 0.14213311 0.25000000 1.0 W W33 1 0.15984519 0.49356935 0.75000000 1.0 W W34 1 0.34017413 0.99464834 0.25000000 1.0 W W35 1 0.84025920 0.50572225 0.25000000 1.0