# generated using pymatgen data_Sc8Ta9Si16W3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60839218 _cell_length_b 6.83541305 _cell_length_c 12.99559569 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.99894059 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Ta9Si16W3 _chemical_formula_sum 'Sc8 Ta9 Si16 W3' _cell_volume 587.02522491 _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 0.50051182 0.67353344 0.59402581 1.0 Sc Sc1 1 0.99957657 0.82641713 0.90584305 1.0 Sc Sc2 1 0.50092363 0.32578357 0.09381163 1.0 Sc Sc3 1 0.00097195 0.17398037 0.40632202 1.0 Sc Sc4 1 0.50092363 0.32578357 0.40618837 1.0 Sc Sc5 1 0.00097195 0.17398037 0.09367798 1.0 Sc Sc6 1 0.50051182 0.67353344 0.90597419 1.0 Sc Sc7 1 0.99957657 0.82641713 0.59415695 1.0 Ta Ta8 1 0.66447940 0.17236121 0.62488735 1.0 Ta Ta9 1 0.16522493 0.32644024 0.87537078 1.0 Ta Ta10 1 0.33487680 0.82819493 0.12570785 1.0 Ta Ta11 1 0.83453116 0.67174723 0.37393663 1.0 Ta Ta12 1 0.33487680 0.82819493 0.37429215 1.0 Ta Ta13 1 0.83453116 0.67174723 0.12606337 1.0 Ta Ta14 1 0.66447940 0.17236121 0.87511265 1.0 Ta Ta15 1 0.16522493 0.32644024 0.62462922 1.0 Ta Ta16 1 0.83890782 0.49363537 0.75000000 1.0 Si Si17 1 0.66950177 0.96567006 0.45963163 1.0 Si Si18 1 0.16920688 0.53412453 0.04070435 1.0 Si Si19 1 0.33069976 0.03372575 0.95984869 1.0 Si Si20 1 0.83093343 0.46649496 0.53931884 1.0 Si Si21 1 0.33069976 0.03372575 0.54015131 1.0 Si Si22 1 0.83093343 0.46649496 0.96068116 1.0 Si Si23 1 0.66950177 0.96567006 0.04036837 1.0 Si Si24 1 0.16920688 0.53412453 0.45929565 1.0 Si Si25 1 0.46136974 0.38819139 0.75000000 1.0 Si Si26 1 0.96481153 0.11085491 0.75000000 1.0 Si Si27 1 0.53451140 0.60928087 0.25000000 1.0 Si Si28 1 0.03496464 0.89017093 0.25000000 1.0 Si Si29 1 0.70271450 0.86252066 0.75000000 1.0 Si Si30 1 0.20644286 0.64234311 0.75000000 1.0 Si Si31 1 0.29674907 0.14158773 0.25000000 1.0 Si Si32 1 0.79668015 0.35779705 0.25000000 1.0 W W33 1 0.33958022 0.00736386 0.75000000 1.0 W W34 1 0.16026187 0.50659865 0.25000000 1.0 W W35 1 0.66013097 0.99270962 0.25000000 1.0