# generated using pymatgen data_Hf4Ta5TiSi8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81311716 _cell_length_b 6.80198048 _cell_length_c 12.54799932 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.96810019 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Ta5TiSi8 _chemical_formula_sum 'Hf8 Ta10 Ti2 Si16' _cell_volume 581.50795060 _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 0.33980019 0.99968150 0.47000056 1.0 Hf Hf1 1 0.50244399 0.83876771 0.72017855 1.0 Hf Hf2 1 0.49755601 0.16123229 0.22017855 1.0 Hf Hf3 1 0.83877723 0.50301947 0.28018080 1.0 Hf Hf4 1 0.16122277 0.49698053 0.78018080 1.0 Hf Hf5 1 0.66019981 0.00031950 0.97000056 1.0 Hf Hf6 1 0.99899343 0.33845061 0.52964833 1.0 Hf Hf7 1 0.00100757 0.66154939 0.02964833 1.0 Ta Ta8 1 0.33099734 0.32967357 0.99996529 1.0 Ta Ta9 1 0.16940793 0.82976874 0.25009691 1.0 Ta Ta10 1 0.83059207 0.17023126 0.75009691 1.0 Ta Ta11 1 0.66900266 0.67032643 0.49996529 1.0 Ta Ta12 1 0.15352992 0.00322338 0.87288289 1.0 Ta Ta13 1 0.49732749 0.65199069 0.12315796 1.0 Ta Ta14 1 0.50267251 0.34800931 0.62315796 1.0 Ta Ta15 1 0.65351574 0.49650686 0.87693985 1.0 Ta Ta16 1 0.34648426 0.50349314 0.37693985 1.0 Ta Ta17 1 0.84647008 0.99677662 0.37288289 1.0 Ti Ti18 1 0.00410947 0.15245306 0.12682278 1.0 Ti Ti19 1 0.99589053 0.84754694 0.62682278 1.0 Si Si20 1 0.20707414 0.13213481 0.67572739 1.0 Si Si21 1 0.36408902 0.70809886 0.92710920 1.0 Si Si22 1 0.63591098 0.29190114 0.42710920 1.0 Si Si23 1 0.71122662 0.36107637 0.07433918 1.0 Si Si24 1 0.28877338 0.63892363 0.57433918 1.0 Si Si25 1 0.79292586 0.86786519 0.17572739 1.0 Si Si26 1 0.13485614 0.20769121 0.32143906 1.0 Si Si27 1 0.86514386 0.79230879 0.82143906 1.0 Si Si28 1 0.29657236 0.95710557 0.06438937 1.0 Si Si29 1 0.54357580 0.79990543 0.31320818 1.0 Si Si30 1 0.45642420 0.20009457 0.81320818 1.0 Si Si31 1 0.80197164 0.54616360 0.68546181 1.0 Si Si32 1 0.19802836 0.45383640 0.18546181 1.0 Si Si33 1 0.70342764 0.04289443 0.56438937 1.0 Si Si34 1 0.95658100 0.29791175 0.93845188 1.0 Si Si35 1 0.04341900 0.70208825 0.43845188 1.0