# generated using pymatgen data_Hf3Sc5(V3Si4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59257520 _cell_length_b 6.59414235 _cell_length_c 12.19701536 _cell_angle_alpha 90.04498752 _cell_angle_beta 89.96792844 _cell_angle_gamma 89.97674925 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Sc5(V3Si4)4 _chemical_formula_sum 'Hf3 Sc5 V12 Si16' _cell_volume 530.23298783 _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 Hf Hf0 1 0.00440892 0.65979632 0.03023181 1.0 Hf Hf1 1 0.83914782 0.50520595 0.28041629 1.0 Hf Hf2 1 0.16008908 0.49541863 0.78096268 1.0 Sc Sc3 1 0.50202751 0.83747709 0.72008689 1.0 Sc Sc4 1 0.49814100 0.16246885 0.21963700 1.0 Sc Sc5 1 0.99813266 0.33795402 0.52961977 1.0 Sc Sc6 1 0.66226866 0.00154286 0.96999769 1.0 Sc Sc7 1 0.33805485 0.99789558 0.46965152 1.0 V V8 1 0.33008378 0.33501277 0.99969455 1.0 V V9 1 0.16482913 0.83011458 0.24957676 1.0 V V10 1 0.83476703 0.16933412 0.75029664 1.0 V V11 1 0.66805566 0.66729045 0.49977853 1.0 V V12 1 0.00534713 0.15806302 0.12627302 1.0 V V13 1 0.34252984 0.50719133 0.37571577 1.0 V V14 1 0.65868147 0.49423272 0.87685969 1.0 V V15 1 0.50740362 0.34426604 0.62420697 1.0 V V16 1 0.49277255 0.65673551 0.12325941 1.0 V V17 1 0.99364758 0.84236095 0.62750876 1.0 V V18 1 0.15663863 0.00614330 0.87369004 1.0 V V19 1 0.84269525 0.99178164 0.37248325 1.0 Si Si20 1 0.29308497 0.96082104 0.06403014 1.0 Si Si21 1 0.53853387 0.79420820 0.31381432 1.0 Si Si22 1 0.46093593 0.20649778 0.81438370 1.0 Si Si23 1 0.79301519 0.54098897 0.68533981 1.0 Si Si24 1 0.20854908 0.45773340 0.18594210 1.0 Si Si25 1 0.70725187 0.03979302 0.56398034 1.0 Si Si26 1 0.95774389 0.29068548 0.93617057 1.0 Si Si27 1 0.04104581 0.70763804 0.43682102 1.0 Si Si28 1 0.70424163 0.37111686 0.07114869 1.0 Si Si29 1 0.12850999 0.20418251 0.32003023 1.0 Si Si30 1 0.87064303 0.79510309 0.82129421 1.0 Si Si31 1 0.20567296 0.12824944 0.67948354 1.0 Si Si32 1 0.79378912 0.87220401 0.17854266 1.0 Si Si33 1 0.29620980 0.62918235 0.57091857 1.0 Si Si34 1 0.37246976 0.70579737 0.92870187 1.0 Si Si35 1 0.62858192 0.29551169 0.42945022 1.0