# generated using pymatgen data_Sc8Ta11Si16W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65506698 _cell_length_b 6.85799831 _cell_length_c 13.03193163 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.99766432 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Ta11Si16W _chemical_formula_sum 'Sc8 Ta11 Si16 W1' _cell_volume 594.78306818 _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 0.50052834 0.67339338 0.59534028 1.0 Sc Sc1 1 0.00065990 0.82710123 0.90479458 1.0 Sc Sc2 1 0.49981042 0.32663844 0.09511246 1.0 Sc Sc3 1 0.00039900 0.17313549 0.40488381 1.0 Sc Sc4 1 0.49981042 0.32663844 0.40488754 1.0 Sc Sc5 1 0.00039900 0.17313549 0.09511619 1.0 Sc Sc6 1 0.50052834 0.67339338 0.90465972 1.0 Sc Sc7 1 0.00065990 0.82710123 0.59520542 1.0 Ta Ta8 1 0.66337625 0.17565605 0.62440095 1.0 Ta Ta9 1 0.16335110 0.32445431 0.87526128 1.0 Ta Ta10 1 0.33669013 0.82605235 0.12575388 1.0 Ta Ta11 1 0.83584189 0.67513672 0.37434249 1.0 Ta Ta12 1 0.33669013 0.82605235 0.37424612 1.0 Ta Ta13 1 0.83584189 0.67513672 0.12565751 1.0 Ta Ta14 1 0.66337625 0.17565605 0.87559905 1.0 Ta Ta15 1 0.16335110 0.32445431 0.62473872 1.0 Ta Ta16 1 0.83728983 0.49397587 0.75000000 1.0 Ta Ta17 1 0.33755062 0.00629078 0.75000000 1.0 Ta Ta18 1 0.16221834 0.50627366 0.25000000 1.0 Si Si19 1 0.66839775 0.96687067 0.45966037 1.0 Si Si20 1 0.16833864 0.53302655 0.03944258 1.0 Si Si21 1 0.33156973 0.03271198 0.96092353 1.0 Si Si22 1 0.83174101 0.46781915 0.53924286 1.0 Si Si23 1 0.33156973 0.03271198 0.53907647 1.0 Si Si24 1 0.83174101 0.46781915 0.96075714 1.0 Si Si25 1 0.66839775 0.96687067 0.04033963 1.0 Si Si26 1 0.16833864 0.53302655 0.46055742 1.0 Si Si27 1 0.46017976 0.38745258 0.75000000 1.0 Si Si28 1 0.95993086 0.11282484 0.75000000 1.0 Si Si29 1 0.53942309 0.61129068 0.25000000 1.0 Si Si30 1 0.03686838 0.88937855 0.25000000 1.0 Si Si31 1 0.70470686 0.86356468 0.75000000 1.0 Si Si32 1 0.20451285 0.63672340 0.75000000 1.0 Si Si33 1 0.29882870 0.13644028 0.25000000 1.0 Si Si34 1 0.79529288 0.35894573 0.25000000 1.0 W W35 1 0.66178652 0.99284429 0.25000000 1.0