# generated using pymatgen data_HfSc3(V3Si4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59649524 _cell_length_b 6.59693846 _cell_length_c 12.21534304 _cell_angle_alpha 90.03016907 _cell_angle_beta 89.93308468 _cell_angle_gamma 90.00027268 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc3(V3Si4)2 _chemical_formula_sum 'Hf2 Sc6 V12 Si16' _cell_volume 531.57065427 _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 Hf Hf0 1 0.00458063 0.66014334 0.03072466 1.0 Hf Hf1 1 0.83931243 0.50498535 0.28037649 1.0 Sc Sc2 1 0.16233000 0.49826726 0.77992376 1.0 Sc Sc3 1 0.50202982 0.83762367 0.71985241 1.0 Sc Sc4 1 0.49828578 0.16284074 0.22000189 1.0 Sc Sc5 1 0.99805911 0.33742701 0.52966412 1.0 Sc Sc6 1 0.66274986 0.00176110 0.97018424 1.0 Sc Sc7 1 0.33773617 0.99783399 0.46963757 1.0 V V8 1 0.33006023 0.33467188 0.00033994 1.0 V V9 1 0.16531817 0.82984625 0.24961489 1.0 V V10 1 0.83199490 0.16799666 0.75047399 1.0 V V11 1 0.66870773 0.66781658 0.49957971 1.0 V V12 1 0.00606872 0.15840616 0.12632933 1.0 V V13 1 0.34277806 0.50705210 0.37539365 1.0 V V14 1 0.65761142 0.49295260 0.87752851 1.0 V V15 1 0.50847478 0.34330074 0.62346397 1.0 V V16 1 0.49346225 0.65667484 0.12337829 1.0 V V17 1 0.99194410 0.84287765 0.62647493 1.0 V V18 1 0.15548291 0.00632263 0.87447996 1.0 V V19 1 0.84257319 0.99129213 0.37239886 1.0 Si Si20 1 0.29350918 0.96041363 0.06422853 1.0 Si Si21 1 0.53915597 0.79390677 0.31385772 1.0 Si Si22 1 0.45941865 0.20678249 0.81423752 1.0 Si Si23 1 0.79385911 0.54002549 0.68604473 1.0 Si Si24 1 0.20886624 0.45803452 0.18613877 1.0 Si Si25 1 0.70644385 0.03990899 0.56393979 1.0 Si Si26 1 0.95898690 0.29275071 0.93528759 1.0 Si Si27 1 0.04117356 0.70742029 0.43671976 1.0 Si Si28 1 0.70475866 0.37031887 0.07097934 1.0 Si Si29 1 0.12855962 0.20398807 0.31984448 1.0 Si Si30 1 0.86997812 0.79546647 0.82070958 1.0 Si Si31 1 0.20382227 0.12913641 0.68042992 1.0 Si Si32 1 0.79442654 0.87203893 0.17887633 1.0 Si Si33 1 0.29659233 0.62881137 0.56959241 1.0 Si Si34 1 0.37171883 0.70529801 0.92959290 1.0 Si Si35 1 0.62917192 0.29560529 0.42969947 1.0