# generated using pymatgen data_Sc8Ta11Si16Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65375589 _cell_length_b 6.86077116 _cell_length_c 13.03816111 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.99144948 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Ta11Si16Mo _chemical_formula_sum 'Sc8 Ta11 Si16 Mo1' _cell_volume 595.19069845 _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 0.49970917 0.32665318 0.09487165 1.0 Sc Sc1 1 0.00082595 0.17315330 0.40517317 1.0 Sc Sc2 1 0.49885487 0.67294898 0.59523350 1.0 Sc Sc3 1 0.99907628 0.82660451 0.90457445 1.0 Sc Sc4 1 0.49885487 0.67294898 0.90476650 1.0 Sc Sc5 1 0.99907628 0.82660451 0.59542555 1.0 Sc Sc6 1 0.49970917 0.32665318 0.40512835 1.0 Sc Sc7 1 0.00082595 0.17315330 0.09482683 1.0 Ta Ta8 1 0.83613922 0.32448469 0.62445928 1.0 Ta Ta9 1 0.33614094 0.17540236 0.87522623 1.0 Ta Ta10 1 0.16384233 0.67392101 0.12581224 1.0 Ta Ta11 1 0.66453626 0.82516285 0.37434918 1.0 Ta Ta12 1 0.16384233 0.67392101 0.37418776 1.0 Ta Ta13 1 0.66453626 0.82516285 0.12565082 1.0 Ta Ta14 1 0.83613922 0.32448469 0.87554072 1.0 Ta Ta15 1 0.33614094 0.17540236 0.62477377 1.0 Ta Ta16 1 0.66217450 0.00614996 0.75000000 1.0 Ta Ta17 1 0.16188088 0.49344759 0.75000000 1.0 Ta Ta18 1 0.33821528 0.99360633 0.25000000 1.0 Si Si19 1 0.66810758 0.03213939 0.53931721 1.0 Si Si20 1 0.16811202 0.46739149 0.96083970 1.0 Si Si21 1 0.33188883 0.96696186 0.03951915 1.0 Si Si22 1 0.83186490 0.53337981 0.45976029 1.0 Si Si23 1 0.33188883 0.96696186 0.46048085 1.0 Si Si24 1 0.83186490 0.53337981 0.04023971 1.0 Si Si25 1 0.66810758 0.03213939 0.96068279 1.0 Si Si26 1 0.16811202 0.46739149 0.53916030 1.0 Si Si27 1 0.53955410 0.38722431 0.75000000 1.0 Si Si28 1 0.03925136 0.11246335 0.75000000 1.0 Si Si29 1 0.46419899 0.61057655 0.25000000 1.0 Si Si30 1 0.96087419 0.88886916 0.25000000 1.0 Si Si31 1 0.79471252 0.63643086 0.75000000 1.0 Si Si32 1 0.29492542 0.86328782 0.75000000 1.0 Si Si33 1 0.20200269 0.36390493 0.25000000 1.0 Si Si34 1 0.70526856 0.14079456 0.25000000 1.0 Mo Mo35 1 0.83874280 0.50683472 0.25000000 1.0