# generated using pymatgen data_Hf7Sc(Nb3Si4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85672952 _cell_length_b 6.85819466 _cell_length_c 12.63431640 _cell_angle_alpha 90.00310654 _cell_angle_beta 89.99742906 _cell_angle_gamma 90.02482571 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf7Sc(Nb3Si4)4 _chemical_formula_sum 'Hf7 Sc1 Nb12 Si16' _cell_volume 594.12596454 _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 0.00269443 0.34219416 0.21830480 1.0 Hf Hf1 1 0.99910655 0.65995807 0.71872955 1.0 Hf Hf2 1 0.15990776 0.50108846 0.46896428 1.0 Hf Hf3 1 0.49893027 0.83974480 0.03157851 1.0 Hf Hf4 1 0.84043420 0.49870280 0.96846577 1.0 Hf Hf5 1 0.50112571 0.15949884 0.53183072 1.0 Hf Hf6 1 0.34040402 0.00099683 0.78125256 1.0 Sc Sc7 1 0.66059191 0.00014677 0.28043851 1.0 Nb Nb8 1 0.17033666 0.17028914 0.99976057 1.0 Nb Nb9 1 0.82978413 0.82950735 0.50052053 1.0 Nb Nb10 1 0.32797274 0.66890667 0.25024492 1.0 Nb Nb11 1 0.67053022 0.32951491 0.75000302 1.0 Nb Nb12 1 0.15128463 0.99678974 0.37706123 1.0 Nb Nb13 1 0.84820808 0.00286384 0.87600013 1.0 Nb Nb14 1 0.50289986 0.65191857 0.62645133 1.0 Nb Nb15 1 0.34815518 0.49724066 0.87351562 1.0 Nb Nb16 1 0.49610436 0.34814526 0.12541528 1.0 Nb Nb17 1 0.65089048 0.50321115 0.37456033 1.0 Nb Nb18 1 0.99770971 0.15227276 0.62400004 1.0 Nb Nb19 1 0.00306002 0.84683169 0.12285049 1.0 Si Si20 1 0.29959647 0.04387568 0.18709239 1.0 Si Si21 1 0.70067451 0.95486102 0.68670822 1.0 Si Si22 1 0.45563895 0.80079471 0.43633629 1.0 Si Si23 1 0.20053460 0.54498426 0.06306876 1.0 Si Si24 1 0.54494816 0.20024067 0.93666606 1.0 Si Si25 1 0.79998984 0.45498139 0.56343348 1.0 Si Si26 1 0.04520253 0.29973630 0.81334452 1.0 Si Si27 1 0.95409869 0.70083541 0.31343050 1.0 Si Si28 1 0.36313764 0.29169814 0.32270684 1.0 Si Si29 1 0.63623253 0.70847499 0.82312130 1.0 Si Si30 1 0.20866715 0.86357236 0.57298385 1.0 Si Si31 1 0.13637980 0.79157360 0.92710386 1.0 Si Si32 1 0.79231178 0.13635612 0.07248105 1.0 Si Si33 1 0.86293563 0.20825138 0.42721510 1.0 Si Si34 1 0.29192546 0.36396473 0.67696123 1.0 Si Si35 1 0.70759632 0.63597279 0.17740038 1.0