# generated using pymatgen data_ZrSc3(V3Si4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60784708 _cell_length_b 6.60843861 _cell_length_c 12.24282990 _cell_angle_alpha 90.01185005 _cell_angle_beta 89.95106708 _cell_angle_gamma 89.99998247 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc3(V3Si4)2 _chemical_formula_sum 'Zr2 Sc6 V12 Si16' _cell_volume 534.61420197 _cell_formula_units_Z 2 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 0.00394125 0.66029822 0.03069282 1.0 Zr Zr1 1 0.83925666 0.50410700 0.28092569 1.0 Sc Sc2 1 0.16230330 0.49820702 0.77970605 1.0 Sc Sc3 1 0.50175378 0.83776628 0.71969559 1.0 Sc Sc4 1 0.49825003 0.16250716 0.22012711 1.0 Sc Sc5 1 0.99808827 0.33755549 0.52984770 1.0 Sc Sc6 1 0.66247875 0.00162209 0.96981334 1.0 Sc Sc7 1 0.33787489 0.99786685 0.46998132 1.0 V V8 1 0.33009824 0.33413251 0.99997246 1.0 V V9 1 0.16594098 0.83024754 0.24994742 1.0 V V10 1 0.83183881 0.16829506 0.75028597 1.0 V V11 1 0.66853956 0.66807499 0.50011101 1.0 V V12 1 0.00693076 0.15830312 0.12595059 1.0 V V13 1 0.34257238 0.50725974 0.37581441 1.0 V V14 1 0.65718502 0.49221353 0.87674510 1.0 V V15 1 0.50831608 0.34343758 0.62369218 1.0 V V16 1 0.49333716 0.65739500 0.12318002 1.0 V V17 1 0.99194853 0.84311788 0.62649307 1.0 V V18 1 0.15597640 0.00648738 0.87394804 1.0 V V19 1 0.84241294 0.99160489 0.37291450 1.0 Si Si20 1 0.29408045 0.96067618 0.06403424 1.0 Si Si21 1 0.53872438 0.79435156 0.31415983 1.0 Si Si22 1 0.45914467 0.20662027 0.81398988 1.0 Si Si23 1 0.79382444 0.54021025 0.68587820 1.0 Si Si24 1 0.21079554 0.45709498 0.18643086 1.0 Si Si25 1 0.70639256 0.04000336 0.56418502 1.0 Si Si26 1 0.95852905 0.29140387 0.93483962 1.0 Si Si27 1 0.04182145 0.70828684 0.43731513 1.0 Si Si28 1 0.70360261 0.36947606 0.07016656 1.0 Si Si29 1 0.12935621 0.20306634 0.31992745 1.0 Si Si30 1 0.86977408 0.79592331 0.81990477 1.0 Si Si31 1 0.20372013 0.12925355 0.68032644 1.0 Si Si32 1 0.79376030 0.87387090 0.17946141 1.0 Si Si33 1 0.29669134 0.62895477 0.56972740 1.0 Si Si34 1 0.37271478 0.70533757 0.92925504 1.0 Si Si35 1 0.62802723 0.29496984 0.43055676 1.0