# generated using pymatgen data_Hf3Zr4Ta3Si8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95730787 _cell_length_b 6.95700187 _cell_length_c 12.77910323 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.01250379 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Zr4Ta3Si8 _chemical_formula_sum 'Hf6 Zr8 Ta6 Si16' _cell_volume 618.53418886 _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 0.85047242 0.00453489 0.87722788 1.0 Hf Hf1 1 0.14952758 0.99546511 0.37722788 1.0 Hf Hf2 1 0.64754029 0.50133424 0.37325357 1.0 Hf Hf3 1 0.35245971 0.49866576 0.87325357 1.0 Hf Hf4 1 0.00187381 0.85280376 0.12308914 1.0 Hf Hf5 1 0.99812619 0.14719624 0.62308914 1.0 Zr Zr6 1 0.50080175 0.15419519 0.53213177 1.0 Zr Zr7 1 0.49919825 0.84580481 0.03213177 1.0 Zr Zr8 1 0.65387069 0.99818391 0.28145576 1.0 Zr Zr9 1 0.34612931 0.00181609 0.78145576 1.0 Zr Zr10 1 0.84284937 0.50001202 0.96855519 1.0 Zr Zr11 1 0.15715063 0.49998798 0.46855519 1.0 Zr Zr12 1 0.00011989 0.65617069 0.71796075 1.0 Zr Zr13 1 0.99988011 0.34382931 0.21796075 1.0 Ta Ta14 1 0.67225830 0.32863589 0.74953865 1.0 Ta Ta15 1 0.32774170 0.67136411 0.24953865 1.0 Ta Ta16 1 0.82613428 0.82370265 0.50079992 1.0 Ta Ta17 1 0.17386572 0.17629735 0.00079992 1.0 Ta Ta18 1 0.49240728 0.35217373 0.12610658 1.0 Ta Ta19 1 0.50759272 0.64782627 0.62610658 1.0 Si Si20 1 0.78909770 0.14415898 0.07366132 1.0 Si Si21 1 0.21090230 0.85584102 0.57366132 1.0 Si Si22 1 0.64276098 0.70553270 0.81996150 1.0 Si Si23 1 0.35723902 0.29446730 0.31996150 1.0 Si Si24 1 0.85668429 0.20295745 0.42811965 1.0 Si Si25 1 0.14331571 0.79704255 0.92811965 1.0 Si Si26 1 0.70276629 0.63808517 0.17681974 1.0 Si Si27 1 0.29723371 0.36191483 0.67681974 1.0 Si Si28 1 0.54631971 0.20240288 0.93708167 1.0 Si Si29 1 0.45368029 0.79759712 0.43708167 1.0 Si Si30 1 0.70073526 0.95069791 0.68578651 1.0 Si Si31 1 0.29926474 0.04930209 0.18578651 1.0 Si Si32 1 0.79915089 0.45280663 0.56443071 1.0 Si Si33 1 0.20084911 0.54719337 0.06443071 1.0 Si Si34 1 0.95194939 0.69926134 0.31401770 1.0 Si Si35 1 0.04805061 0.30073866 0.81401770 1.0