# generated using pymatgen data_HfZr6Nb3Si8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00065630 _cell_length_b 7.00158149 _cell_length_c 12.85323400 _cell_angle_alpha 90.04283476 _cell_angle_beta 89.99091504 _cell_angle_gamma 90.01876004 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr6Nb3Si8 _chemical_formula_sum 'Hf2 Zr12 Nb6 Si16' _cell_volume 630.00960136 _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 0.35146950 0.50509552 0.37729403 1.0 Hf Hf1 1 0.85387702 0.99813992 0.37311581 1.0 Zr Zr2 1 0.64851375 0.49548108 0.87726490 1.0 Zr Zr3 1 0.50200980 0.35399506 0.62218993 1.0 Zr Zr4 1 0.49831090 0.64576652 0.12359577 1.0 Zr Zr5 1 0.14596571 0.00124896 0.87325698 1.0 Zr Zr6 1 0.00156919 0.65242799 0.03414150 1.0 Zr Zr7 1 0.99873858 0.34698754 0.53238252 1.0 Zr Zr8 1 0.65560493 0.00023034 0.96748450 1.0 Zr Zr9 1 0.15231858 0.49747308 0.78263258 1.0 Zr Zr10 1 0.84706460 0.50225304 0.28252315 1.0 Zr Zr11 1 0.49968389 0.15501614 0.21760126 1.0 Zr Zr12 1 0.50061692 0.84543508 0.71594908 1.0 Zr Zr13 1 0.34357973 0.99998787 0.46746264 1.0 Nb Nb14 1 0.00771244 0.14700606 0.12704867 1.0 Nb Nb15 1 0.99280388 0.85346808 0.62545089 1.0 Nb Nb16 1 0.67428431 0.67672125 0.50008396 1.0 Nb Nb17 1 0.82735212 0.17210336 0.74920053 1.0 Nb Nb18 1 0.17297539 0.82824076 0.25032772 1.0 Nb Nb19 1 0.32589032 0.32295151 0.00120643 1.0 Si Si20 1 0.04750083 0.70253610 0.43729182 1.0 Si Si21 1 0.95296022 0.29794363 0.93837661 1.0 Si Si22 1 0.70182012 0.04768003 0.56321471 1.0 Si Si23 1 0.20022331 0.44885562 0.18700161 1.0 Si Si24 1 0.80064154 0.55123769 0.68552329 1.0 Si Si25 1 0.45077229 0.19837665 0.81326939 1.0 Si Si26 1 0.54975821 0.80108786 0.31423937 1.0 Si Si27 1 0.29886950 0.95245140 0.06461304 1.0 Si Si28 1 0.85563149 0.79457147 0.81891220 1.0 Si Si29 1 0.14279737 0.20694697 0.32102356 1.0 Si Si30 1 0.79754323 0.86201058 0.17731829 1.0 Si Si31 1 0.28759925 0.64539482 0.57335304 1.0 Si Si32 1 0.71251166 0.35392316 0.07439113 1.0 Si Si33 1 0.64337933 0.29519244 0.42650827 1.0 Si Si34 1 0.35492826 0.70318222 0.92848060 1.0 Si Si35 1 0.20272183 0.13858120 0.67626923 1.0