# generated using pymatgen data_HfSc7(Si4Mo3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53893124 _cell_length_b 6.76806617 _cell_length_c 12.63686358 _cell_angle_alpha 89.96236875 _cell_angle_beta 89.95468724 _cell_angle_gamma 90.07426236 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfSc7(Si4Mo3)4 _chemical_formula_sum 'Hf1 Sc7 Si16 Mo12' _cell_volume 559.25524893 _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 0.50288657 0.66972107 0.59477929 1.0 Sc Sc1 1 0.99691989 0.16904714 0.09320792 1.0 Sc Sc2 1 0.00381439 0.83111959 0.90764867 1.0 Sc Sc3 1 0.50400844 0.66874363 0.90746976 1.0 Sc Sc4 1 0.00457559 0.83096180 0.59232569 1.0 Sc Sc5 1 0.49671018 0.33035963 0.09309094 1.0 Sc Sc6 1 0.99696480 0.16946650 0.40664255 1.0 Sc Sc7 1 0.49704449 0.33190229 0.40721762 1.0 Si Si8 1 0.03233541 0.12605203 0.74959197 1.0 Si Si9 1 0.96664810 0.87437456 0.25008242 1.0 Si Si10 1 0.46657831 0.62515211 0.24938342 1.0 Si Si11 1 0.53329927 0.37327326 0.75035308 1.0 Si Si12 1 0.29862168 0.86306755 0.75082432 1.0 Si Si13 1 0.70033014 0.13768603 0.25004964 1.0 Si Si14 1 0.20063874 0.36181574 0.25007502 1.0 Si Si15 1 0.80110074 0.63816108 0.75086358 1.0 Si Si16 1 0.16432700 0.46182614 0.54396631 1.0 Si Si17 1 0.83534516 0.53787854 0.45546583 1.0 Si Si18 1 0.33591353 0.96272056 0.45568146 1.0 Si Si19 1 0.83631710 0.53679499 0.04493487 1.0 Si Si20 1 0.66446498 0.03841053 0.54394566 1.0 Si Si21 1 0.16352816 0.46272857 0.95503378 1.0 Si Si22 1 0.66337095 0.03709243 0.95474590 1.0 Si Si23 1 0.33639993 0.96291592 0.04493484 1.0 Mo Mo24 1 0.16694654 0.50762603 0.74879550 1.0 Mo Mo25 1 0.83460680 0.49379498 0.25040036 1.0 Mo Mo26 1 0.33473851 0.00597458 0.25001928 1.0 Mo Mo27 1 0.66540824 0.99081763 0.74854490 1.0 Mo Mo28 1 0.32962752 0.16573558 0.62309727 1.0 Mo Mo29 1 0.66862363 0.83219671 0.37729779 1.0 Mo Mo30 1 0.17093890 0.66656798 0.37700398 1.0 Mo Mo31 1 0.67026319 0.83313496 0.12351025 1.0 Mo Mo32 1 0.82783465 0.33653413 0.62313510 1.0 Mo Mo33 1 0.32915589 0.16648280 0.87616071 1.0 Mo Mo34 1 0.82986424 0.33371922 0.87617382 1.0 Mo Mo35 1 0.16985133 0.66614469 0.12354850 1.0