# generated using pymatgen data_ZrSc7(Si4Mo3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54685979 _cell_length_b 6.77129728 _cell_length_c 12.64925533 _cell_angle_alpha 90.01029375 _cell_angle_beta 90.04472628 _cell_angle_gamma 90.07099481 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc7(Si4Mo3)4 _chemical_formula_sum 'Zr1 Sc7 Si16 Mo12' _cell_volume 560.75016200 _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 Zr Zr0 1 0.49832357 0.33043219 0.09476940 1.0 Sc Sc1 1 0.99636163 0.16897539 0.40814363 1.0 Sc Sc2 1 0.50346326 0.66962616 0.59288251 1.0 Sc Sc3 1 0.00324004 0.83079413 0.90648979 1.0 Sc Sc4 1 0.50311729 0.66831664 0.90686553 1.0 Sc Sc5 1 0.00306843 0.83063686 0.59295404 1.0 Sc Sc6 1 0.49591872 0.33106542 0.40735998 1.0 Sc Sc7 1 0.99550838 0.16916451 0.09224672 1.0 Si Si8 1 0.66343602 0.03727748 0.54500559 1.0 Si Si9 1 0.16437791 0.46211858 0.95500677 1.0 Si Si10 1 0.33540508 0.96026068 0.04369519 1.0 Si Si11 1 0.83628393 0.53746932 0.45519676 1.0 Si Si12 1 0.33665482 0.96261854 0.45485561 1.0 Si Si13 1 0.83699650 0.53952362 0.04365418 1.0 Si Si14 1 0.66388592 0.03714448 0.95527867 1.0 Si Si15 1 0.16360985 0.46294984 0.54504887 1.0 Si Si16 1 0.53312494 0.37454151 0.74940061 1.0 Si Si17 1 0.03284445 0.12537610 0.74987282 1.0 Si Si18 1 0.46642425 0.62777323 0.25073129 1.0 Si Si19 1 0.96792723 0.87420027 0.24987677 1.0 Si Si20 1 0.79927236 0.63819592 0.74989512 1.0 Si Si21 1 0.29936205 0.86190706 0.74969808 1.0 Si Si22 1 0.19841714 0.36178048 0.25135164 1.0 Si Si23 1 0.70235358 0.13660170 0.25153006 1.0 Mo Mo24 1 0.82977363 0.33393192 0.62353750 1.0 Mo Mo25 1 0.33055901 0.16666646 0.87668050 1.0 Mo Mo26 1 0.17136249 0.66385457 0.12350384 1.0 Mo Mo27 1 0.67108539 0.83369916 0.37642630 1.0 Mo Mo28 1 0.16992116 0.66614446 0.37639639 1.0 Mo Mo29 1 0.67058652 0.83465775 0.12334589 1.0 Mo Mo30 1 0.82925963 0.33381921 0.87669016 1.0 Mo Mo31 1 0.32940377 0.16659351 0.62337928 1.0 Mo Mo32 1 0.66483119 0.99388801 0.74984115 1.0 Mo Mo33 1 0.16507521 0.50597254 0.75017409 1.0 Mo Mo34 1 0.33485215 0.00858244 0.24897200 1.0 Mo Mo35 1 0.83391048 0.49343987 0.24923929 1.0