# generated using pymatgen data_Zr3Sc5(V3Si4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60889712 _cell_length_b 6.61004904 _cell_length_c 12.23697343 _cell_angle_alpha 90.02927604 _cell_angle_beta 89.96979127 _cell_angle_gamma 89.99119650 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Sc5(V3Si4)4 _chemical_formula_sum 'Zr3 Sc5 V12 Si16' _cell_volume 534.57367401 _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 0.00386193 0.66003456 0.03061250 1.0 Zr Zr1 1 0.83921179 0.50442925 0.28106594 1.0 Zr Zr2 1 0.16013382 0.49599536 0.78092676 1.0 Sc Sc3 1 0.50171245 0.83769725 0.71966712 1.0 Sc Sc4 1 0.49832816 0.16220601 0.22001420 1.0 Sc Sc5 1 0.99794534 0.33789349 0.52955818 1.0 Sc Sc6 1 0.66220482 0.00143190 0.96988535 1.0 Sc Sc7 1 0.33806821 0.99806181 0.46986560 1.0 V V8 1 0.33049385 0.33431515 0.99975403 1.0 V V9 1 0.16558784 0.83046938 0.25000571 1.0 V V10 1 0.83422533 0.16930309 0.74991628 1.0 V V11 1 0.66794108 0.66766739 0.50003599 1.0 V V12 1 0.00658171 0.15794831 0.12612813 1.0 V V13 1 0.34235978 0.50755773 0.37597471 1.0 V V14 1 0.65845663 0.49308874 0.87617817 1.0 V V15 1 0.50727144 0.34388538 0.62394934 1.0 V V16 1 0.49304226 0.65740580 0.12333512 1.0 V V17 1 0.99260356 0.84294945 0.62693813 1.0 V V18 1 0.15722338 0.00628543 0.87334281 1.0 V V19 1 0.84258811 0.99206690 0.37302543 1.0 Si Si20 1 0.29390997 0.96118339 0.06405352 1.0 Si Si21 1 0.53829339 0.79464398 0.31414652 1.0 Si Si22 1 0.46105160 0.20576697 0.81413124 1.0 Si Si23 1 0.79162503 0.54138609 0.68486178 1.0 Si Si24 1 0.21059435 0.45688304 0.18629613 1.0 Si Si25 1 0.70692377 0.04012550 0.56395909 1.0 Si Si26 1 0.95685301 0.28884606 0.93624058 1.0 Si Si27 1 0.04164144 0.70858105 0.43723058 1.0 Si Si28 1 0.70309380 0.37012257 0.07049778 1.0 Si Si29 1 0.12933486 0.20331859 0.32005290 1.0 Si Si30 1 0.86967487 0.79617802 0.82032599 1.0 Si Si31 1 0.20552902 0.12732084 0.67919987 1.0 Si Si32 1 0.79336206 0.87409298 0.17933121 1.0 Si Si33 1 0.29652827 0.62947870 0.57021044 1.0 Si Si34 1 0.37429812 0.70638374 0.92907174 1.0 Si Si35 1 0.62744494 0.29499612 0.43021213 1.0