# generated using pymatgen data_Sc8Ta9Si16Mo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60987256 _cell_length_b 6.84029404 _cell_length_c 13.01150588 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.98009537 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Ta9Si16Mo3 _chemical_formula_sum 'Sc8 Ta9 Si16 Mo3' _cell_volume 588.29531991 _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 0.49952633 0.32608056 0.09321282 1.0 Sc Sc1 1 0.99939499 0.17399213 0.40660007 1.0 Sc Sc2 1 0.50022684 0.67371601 0.59429222 1.0 Sc Sc3 1 0.99903225 0.82670638 0.90582823 1.0 Sc Sc4 1 0.50022684 0.67371601 0.90570778 1.0 Sc Sc5 1 0.99903225 0.82670638 0.59417177 1.0 Sc Sc6 1 0.49952633 0.32608056 0.40678718 1.0 Sc Sc7 1 0.99939499 0.17399213 0.09339993 1.0 Ta Ta8 1 0.83514928 0.32749629 0.62498300 1.0 Ta Ta9 1 0.33473896 0.17339516 0.87533849 1.0 Ta Ta10 1 0.16511775 0.67184491 0.12566075 1.0 Ta Ta11 1 0.66560909 0.82829799 0.37393211 1.0 Ta Ta12 1 0.16511775 0.67184491 0.37433925 1.0 Ta Ta13 1 0.66560909 0.82829799 0.12606789 1.0 Ta Ta14 1 0.83514928 0.32749629 0.87501700 1.0 Ta Ta15 1 0.33473896 0.17339516 0.62466151 1.0 Ta Ta16 1 0.66099992 0.00640486 0.75000000 1.0 Si Si17 1 0.66898703 0.03354312 0.53942017 1.0 Si Si18 1 0.16909881 0.46593979 0.96001789 1.0 Si Si19 1 0.33100864 0.96519740 0.04038186 1.0 Si Si20 1 0.83080487 0.53484441 0.45997480 1.0 Si Si21 1 0.33100864 0.96519740 0.45961814 1.0 Si Si22 1 0.83080487 0.53484441 0.04002520 1.0 Si Si23 1 0.66898703 0.03354312 0.96057983 1.0 Si Si24 1 0.16909881 0.46593979 0.53998211 1.0 Si Si25 1 0.53412986 0.38904942 0.75000000 1.0 Si Si26 1 0.03851207 0.11209262 0.75000000 1.0 Si Si27 1 0.46565404 0.61021924 0.25000000 1.0 Si Si28 1 0.96630341 0.89054113 0.25000000 1.0 Si Si29 1 0.79662512 0.63680518 0.75000000 1.0 Si Si30 1 0.29328275 0.85825752 0.75000000 1.0 Si Si31 1 0.20356725 0.35936983 0.25000000 1.0 Si Si32 1 0.70361692 0.14122734 0.25000000 1.0 Mo Mo33 1 0.16009355 0.49320860 0.75000000 1.0 Mo Mo34 1 0.33997656 0.99377300 0.25000000 1.0 Mo Mo35 1 0.83984985 0.50694295 0.25000000 1.0