# generated using pymatgen data_Hf8Ti9Si16Tc3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72055664 _cell_length_b 6.72055703 _cell_length_c 12.33320303 _cell_angle_alpha 90.09208990 _cell_angle_beta 89.90790700 _cell_angle_gamma 90.05242298 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf8Ti9Si16Tc3 _chemical_formula_sum 'Hf8 Ti9 Si16 Tc3' _cell_volume 557.03834827 _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 0.34151020 0.99998152 0.47059746 1.0 Hf Hf1 1 0.49796368 0.84004163 0.72082904 1.0 Hf Hf2 1 0.50190486 0.15961623 0.22052402 1.0 Hf Hf3 1 0.84004163 0.49796368 0.27917096 1.0 Hf Hf4 1 0.15961623 0.50190486 0.77947598 1.0 Hf Hf5 1 0.66092557 0.99807185 0.97166006 1.0 Hf Hf6 1 0.99998152 0.34151020 0.52940254 1.0 Hf Hf7 1 0.99807185 0.66092557 0.02833994 1.0 Ti Ti8 1 0.67110349 0.67110349 0.50000000 1.0 Ti Ti9 1 0.15215258 0.99998246 0.87371810 1.0 Ti Ti10 1 0.49910969 0.65294113 0.12217100 1.0 Ti Ti11 1 0.49985535 0.35000553 0.62411425 1.0 Ti Ti12 1 0.65294113 0.49910969 0.87782900 1.0 Ti Ti13 1 0.35000553 0.49985535 0.37588575 1.0 Ti Ti14 1 0.84686985 0.99713049 0.37405805 1.0 Ti Ti15 1 0.99998246 0.15215258 0.12628190 1.0 Ti Ti16 1 0.99713049 0.84686985 0.62594195 1.0 Si Si17 1 0.20490929 0.13417946 0.67760989 1.0 Si Si18 1 0.36572814 0.70587618 0.92733007 1.0 Si Si19 1 0.63601219 0.29300735 0.42887640 1.0 Si Si20 1 0.70587618 0.36572814 0.07266993 1.0 Si Si21 1 0.29300735 0.63601219 0.57112360 1.0 Si Si22 1 0.79339974 0.86534443 0.17795825 1.0 Si Si23 1 0.13417946 0.20490929 0.32239011 1.0 Si Si24 1 0.86534443 0.79339974 0.82204175 1.0 Si Si25 1 0.29439277 0.95568676 0.06584631 1.0 Si Si26 1 0.54272513 0.79427327 0.31475012 1.0 Si Si27 1 0.45570288 0.20623368 0.81595850 1.0 Si Si28 1 0.79427327 0.54272513 0.68524988 1.0 Si Si29 1 0.20623368 0.45570288 0.18404150 1.0 Si Si30 1 0.70464809 0.04741783 0.56737639 1.0 Si Si31 1 0.95568676 0.29439277 0.93415369 1.0 Si Si32 1 0.04741783 0.70464809 0.43262361 1.0 Tc Tc33 1 0.32956266 0.32956266 0.00000000 1.0 Tc Tc34 1 0.17048162 0.83125142 0.24774713 1.0 Tc Tc35 1 0.83125142 0.17048162 0.75225287 1.0