# generated using pymatgen data_Sc2V3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60925219 _cell_length_b 6.60924979 _cell_length_c 12.23829402 _cell_angle_alpha 89.99978340 _cell_angle_beta 90.00021826 _cell_angle_gamma 89.99993836 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2V3Si4 _chemical_formula_sum 'Sc8 V12 Si16' _cell_volume 534.59559050 _cell_formula_units_Z 4 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 0.00182445 0.66260944 0.03022650 1.0 Sc Sc1 1 0.83741120 0.50183087 0.28025216 1.0 Sc Sc2 1 0.16258506 0.49818020 0.78019103 1.0 Sc Sc3 1 0.50183164 0.83741219 0.71974888 1.0 Sc Sc4 1 0.49818110 0.16258548 0.21980802 1.0 Sc Sc5 1 0.99816843 0.33739668 0.53022086 1.0 Sc Sc6 1 0.66260968 0.00182530 0.96976711 1.0 Sc Sc7 1 0.33739706 0.99816925 0.46978551 1.0 V V8 1 0.33129946 0.33129919 0.99999750 1.0 V V9 1 0.16867032 0.83132404 0.25002598 1.0 V V10 1 0.83132373 0.16867038 0.74997387 1.0 V V11 1 0.66870152 0.66870108 0.50000251 1.0 V V12 1 0.00845472 0.15664640 0.12659646 1.0 V V13 1 0.34333901 0.50846485 0.37659724 1.0 V V14 1 0.65667104 0.49153702 0.87655530 1.0 V V15 1 0.50846622 0.34333853 0.62340651 1.0 V V16 1 0.49153849 0.65667058 0.12344101 1.0 V V17 1 0.99153241 0.84334859 0.62656317 1.0 V V18 1 0.15664587 0.00845448 0.87339989 1.0 V V19 1 0.84334757 0.99153204 0.37344052 1.0 Si Si20 1 0.29390533 0.95933403 0.06409435 1.0 Si Si21 1 0.54067301 0.79391588 0.31410547 1.0 Si Si22 1 0.45933241 0.20608338 0.81407698 1.0 Si Si23 1 0.79391518 0.54067072 0.68589637 1.0 Si Si24 1 0.20608315 0.45933242 0.18592193 1.0 Si Si25 1 0.70609829 0.04066505 0.56408602 1.0 Si Si26 1 0.95933338 0.29390451 0.93590282 1.0 Si Si27 1 0.04066453 0.70609748 0.43591675 1.0 Si Si28 1 0.70375981 0.37018862 0.06963398 1.0 Si Si29 1 0.12979976 0.20374795 0.31964028 1.0 Si Si30 1 0.87019874 0.79625240 0.81961376 1.0 Si Si31 1 0.20374821 0.12979946 0.68036099 1.0 Si Si32 1 0.79625247 0.87019836 0.18038504 1.0 Si Si33 1 0.29624207 0.62980903 0.56962582 1.0 Si Si34 1 0.37018908 0.70375998 0.93036322 1.0 Si Si35 1 0.62980958 0.29624213 0.43037719 1.0