# generated using pymatgen data_Zr5Sc3(V3Si4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60979121 _cell_length_b 6.61080433 _cell_length_c 12.23878234 _cell_angle_alpha 90.01955280 _cell_angle_beta 89.98456716 _cell_angle_gamma 89.93513943 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Sc3(V3Si4)4 _chemical_formula_sum 'Zr5 Sc3 V12 Si16' _cell_volume 534.78588456 _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 0.00394680 0.66032871 0.03061229 1.0 Zr Zr1 1 0.83802450 0.50374019 0.28122439 1.0 Zr Zr2 1 0.16134737 0.49638644 0.78103952 1.0 Zr Zr3 1 0.50340366 0.83825718 0.71845406 1.0 Zr Zr4 1 0.49640340 0.16150256 0.21879768 1.0 Sc Sc5 1 0.99781394 0.33794049 0.52953694 1.0 Sc Sc6 1 0.66237773 0.00172492 0.97056697 1.0 Sc Sc7 1 0.33801200 0.99787322 0.47041673 1.0 V V8 1 0.33170626 0.33500316 0.99988030 1.0 V V9 1 0.16621543 0.83393902 0.24983947 1.0 V V10 1 0.83400067 0.16599168 0.74990858 1.0 V V11 1 0.66673522 0.66666561 0.50007358 1.0 V V12 1 0.00586898 0.15944721 0.12692437 1.0 V V13 1 0.34210764 0.50643999 0.37572788 1.0 V V14 1 0.65839535 0.49395528 0.87581078 1.0 V V15 1 0.50637891 0.34222134 0.62449579 1.0 V V16 1 0.49371575 0.65914067 0.12376334 1.0 V V17 1 0.99373894 0.84157198 0.62770360 1.0 V V18 1 0.15790455 0.00541271 0.87263900 1.0 V V19 1 0.84180923 0.99336109 0.37252893 1.0 Si Si20 1 0.29151468 0.96094603 0.06269940 1.0 Si Si21 1 0.53810203 0.79291799 0.31513397 1.0 Si Si22 1 0.46147857 0.20707796 0.81503507 1.0 Si Si23 1 0.79314375 0.53835191 0.68478076 1.0 Si Si24 1 0.20915464 0.46027367 0.18638138 1.0 Si Si25 1 0.70918087 0.04030155 0.56268305 1.0 Si Si26 1 0.95795823 0.28841055 0.93635412 1.0 Si Si27 1 0.04032613 0.70905888 0.43728746 1.0 Si Si28 1 0.70442025 0.37261423 0.07010248 1.0 Si Si29 1 0.12732825 0.20489837 0.32082351 1.0 Si Si30 1 0.87167160 0.79429153 0.82101811 1.0 Si Si31 1 0.20538515 0.12772712 0.67914586 1.0 Si Si32 1 0.79356457 0.87381983 0.17946993 1.0 Si Si33 1 0.29496943 0.62728959 0.56988823 1.0 Si Si34 1 0.37466684 0.70629049 0.92913700 1.0 Si Si35 1 0.62722668 0.29482484 0.43011548 1.0