# generated using pymatgen data_Hf16Ta3Si16W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93987729 _cell_length_b 6.93987729 _cell_length_c 12.71429876 _cell_angle_alpha 89.94481279 _cell_angle_beta 90.05518721 _cell_angle_gamma 90.05808535 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf16Ta3Si16W _chemical_formula_sum 'Hf16 Ta3 Si16 W1' _cell_volume 612.34386232 _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 0.49896725 0.15477778 0.53200201 1.0 Hf Hf1 1 0.50061221 0.84417591 0.03118493 1.0 Hf Hf2 1 0.65524390 0.00169321 0.28081010 1.0 Hf Hf3 1 0.34537827 0.99874061 0.78195499 1.0 Hf Hf4 1 0.84417591 0.50061221 0.96881507 1.0 Hf Hf5 1 0.15477778 0.49896725 0.46799799 1.0 Hf Hf6 1 0.00169321 0.65524390 0.71918990 1.0 Hf Hf7 1 0.99874061 0.34537827 0.21804501 1.0 Hf Hf8 1 0.49668634 0.35450631 0.12588644 1.0 Hf Hf9 1 0.50310770 0.64572070 0.62662841 1.0 Hf Hf10 1 0.85479429 0.00357726 0.87774082 1.0 Hf Hf11 1 0.14547809 0.99747942 0.37560009 1.0 Hf Hf12 1 0.64572070 0.50310770 0.37337159 1.0 Hf Hf13 1 0.35450631 0.49668634 0.87411356 1.0 Hf Hf14 1 0.00357726 0.85479429 0.12225918 1.0 Hf Hf15 1 0.99747942 0.14547809 0.62439991 1.0 Ta Ta16 1 0.67480057 0.32518389 0.75090257 1.0 Ta Ta17 1 0.32518389 0.67480057 0.24909743 1.0 Ta Ta18 1 0.82562139 0.82562139 0.50000000 1.0 Si Si19 1 0.79549067 0.14557619 0.07260660 1.0 Si Si20 1 0.20424317 0.85399309 0.57151241 1.0 Si Si21 1 0.64647035 0.70411709 0.82202480 1.0 Si Si22 1 0.35376026 0.29612281 0.32137856 1.0 Si Si23 1 0.85399309 0.20424317 0.42848759 1.0 Si Si24 1 0.14557619 0.79549067 0.92739340 1.0 Si Si25 1 0.70411709 0.64647035 0.17797520 1.0 Si Si26 1 0.29612281 0.35376026 0.67862144 1.0 Si Si27 1 0.54562517 0.19715738 0.93551750 1.0 Si Si28 1 0.45255552 0.80264296 0.43494323 1.0 Si Si29 1 0.69796989 0.95251703 0.68568136 1.0 Si Si30 1 0.30152638 0.04864864 0.18400955 1.0 Si Si31 1 0.80264296 0.45255552 0.56505677 1.0 Si Si32 1 0.19715738 0.54562517 0.06448250 1.0 Si Si33 1 0.95251703 0.69796989 0.31431864 1.0 Si Si34 1 0.04864864 0.30152638 0.81599045 1.0 W W35 1 0.17503829 0.17503829 0.00000000 1.0