# generated using pymatgen data_HfZr12Nb7Si16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.98625042 _cell_length_b 6.98654904 _cell_length_c 12.83759410 _cell_angle_alpha 90.16429563 _cell_angle_beta 89.87660270 _cell_angle_gamma 90.04621211 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr12Nb7Si16 _chemical_formula_sum 'Hf1 Zr12 Nb7 Si16' _cell_volume 626.59592809 _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 0.35125287 0.50453320 0.37716168 1.0 Zr Zr1 1 0.64906577 0.49601254 0.87714544 1.0 Zr Zr2 1 0.50303744 0.35260653 0.62163852 1.0 Zr Zr3 1 0.49890349 0.64724919 0.12441357 1.0 Zr Zr4 1 0.14647697 0.00093996 0.87323199 1.0 Zr Zr5 1 0.00105461 0.65407422 0.03535689 1.0 Zr Zr6 1 0.99891901 0.34512550 0.53064281 1.0 Zr Zr7 1 0.65570085 0.00058982 0.96763137 1.0 Zr Zr8 1 0.15352219 0.49810683 0.78171568 1.0 Zr Zr9 1 0.84534095 0.50236717 0.28263274 1.0 Zr Zr10 1 0.49982982 0.15560166 0.21913222 1.0 Zr Zr11 1 0.50187106 0.84504673 0.71568626 1.0 Zr Zr12 1 0.34324433 0.00039865 0.46730128 1.0 Nb Nb13 1 0.85337328 0.99592903 0.37382682 1.0 Nb Nb14 1 0.00646043 0.14774629 0.12657147 1.0 Nb Nb15 1 0.99410959 0.85360358 0.62581900 1.0 Nb Nb16 1 0.67516805 0.67626642 0.49935510 1.0 Nb Nb17 1 0.82811722 0.17200048 0.74864665 1.0 Nb Nb18 1 0.17138693 0.82963960 0.25118498 1.0 Nb Nb19 1 0.32597370 0.32344405 0.00130420 1.0 Si Si20 1 0.04618470 0.70459232 0.43712930 1.0 Si Si21 1 0.95382570 0.29915479 0.93814533 1.0 Si Si22 1 0.70330874 0.04638044 0.56165982 1.0 Si Si23 1 0.19999677 0.44873551 0.18738382 1.0 Si Si24 1 0.80146188 0.55116474 0.68488966 1.0 Si Si25 1 0.45179274 0.19803950 0.81307234 1.0 Si Si26 1 0.55159224 0.80127312 0.31485686 1.0 Si Si27 1 0.29874356 0.95356765 0.06509626 1.0 Si Si28 1 0.85572633 0.79467257 0.81873849 1.0 Si Si29 1 0.13727279 0.20564707 0.32194745 1.0 Si Si30 1 0.79699892 0.86440671 0.17941911 1.0 Si Si31 1 0.28798114 0.64451410 0.57290773 1.0 Si Si32 1 0.71149689 0.35400180 0.07442460 1.0 Si Si33 1 0.64279093 0.29039307 0.42497771 1.0 Si Si34 1 0.35470549 0.70317177 0.92896821 1.0 Si Si35 1 0.20330865 0.13900139 0.67598764 1.0