# generated using pymatgen data_Sc11Si16Mo9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81178584 _cell_length_b 6.81178566 _cell_length_c 12.52721797 _cell_angle_alpha 90.03267252 _cell_angle_beta 89.96732623 _cell_angle_gamma 89.76310066 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc11Si16Mo9 _chemical_formula_sum 'Sc11 Si16 Mo9' _cell_volume 581.26308068 _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 0.00140338 0.33846288 0.21579741 1.0 Sc Sc1 1 0.16133793 0.49719536 0.46849022 1.0 Sc Sc2 1 0.84442254 0.49747067 0.96912715 1.0 Sc Sc3 1 0.49719536 0.16133793 0.53150978 1.0 Sc Sc4 1 0.49747067 0.84442254 0.03087285 1.0 Sc Sc5 1 0.00322133 0.65966885 0.72029215 1.0 Sc Sc6 1 0.33846288 0.00140338 0.78420259 1.0 Sc Sc7 1 0.65966885 0.00322133 0.27970785 1.0 Sc Sc8 1 0.32998037 0.66969187 0.24790588 1.0 Sc Sc9 1 0.66969187 0.32998037 0.75209412 1.0 Sc Sc10 1 0.83152034 0.83152034 0.50000000 1.0 Si Si11 1 0.04796446 0.29219121 0.81640802 1.0 Si Si12 1 0.20694469 0.53525623 0.05870710 1.0 Si Si13 1 0.79710178 0.45475318 0.56125639 1.0 Si Si14 1 0.53525623 0.20694469 0.94129290 1.0 Si Si15 1 0.45475318 0.79710178 0.43874361 1.0 Si Si16 1 0.95571594 0.70374576 0.31007577 1.0 Si Si17 1 0.29219121 0.04796446 0.18359198 1.0 Si Si18 1 0.70374576 0.95571594 0.68992423 1.0 Si Si19 1 0.29308888 0.36686396 0.67938594 1.0 Si Si20 1 0.13080588 0.79863476 0.92995095 1.0 Si Si21 1 0.86725982 0.20737322 0.42780056 1.0 Si Si22 1 0.79863476 0.13080588 0.07004905 1.0 Si Si23 1 0.20737322 0.86725982 0.57219944 1.0 Si Si24 1 0.70712656 0.63298385 0.17837384 1.0 Si Si25 1 0.36686396 0.29308888 0.32061406 1.0 Si Si26 1 0.63298385 0.70712656 0.82162616 1.0 Mo Mo27 1 0.99884074 0.15538445 0.62449707 1.0 Mo Mo28 1 0.34607963 0.49996470 0.87285138 1.0 Mo Mo29 1 0.65487668 0.50389600 0.37382606 1.0 Mo Mo30 1 0.49996470 0.34607963 0.12714862 1.0 Mo Mo31 1 0.50389600 0.65487668 0.62617394 1.0 Mo Mo32 1 0.00309053 0.83762250 0.12148787 1.0 Mo Mo33 1 0.15538445 0.99884074 0.37550293 1.0 Mo Mo34 1 0.83762250 0.00309053 0.87851213 1.0 Mo Mo35 1 0.16806206 0.16806206 1.00000000 1.0