# generated using pymatgen data_Zr8Ta3Ti9Si16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82628306 _cell_length_b 6.82628306 _cell_length_c 12.56603680 _cell_angle_alpha 89.95715369 _cell_angle_beta 90.04284631 _cell_angle_gamma 89.98477752 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Ta3Ti9Si16 _chemical_formula_sum 'Zr8 Ta3 Ti9 Si16' _cell_volume 585.55359955 _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 Zr Zr0 1 0.00323092 0.65847320 0.03166166 1.0 Zr Zr1 1 0.99692283 0.34154591 0.53172337 1.0 Zr Zr2 1 0.65847320 0.00323092 0.96833834 1.0 Zr Zr3 1 0.15720893 0.49702358 0.78147410 1.0 Zr Zr4 1 0.84231598 0.50233761 0.28181742 1.0 Zr Zr5 1 0.49702358 0.15720893 0.21852590 1.0 Zr Zr6 1 0.50233761 0.84231598 0.71818258 1.0 Zr Zr7 1 0.34154591 0.99692283 0.46827663 1.0 Ta Ta8 1 0.82976780 0.17069118 0.74976377 1.0 Ta Ta9 1 0.17069118 0.82976780 0.25023623 1.0 Ta Ta10 1 0.33004587 0.33004587 0.00000000 1.0 Ti Ti11 1 0.34570947 0.50520288 0.37753685 1.0 Ti Ti12 1 0.84705087 0.99484391 0.37268681 1.0 Ti Ti13 1 0.00579852 0.15320606 0.12740737 1.0 Ti Ti14 1 0.99484391 0.84705087 0.62731319 1.0 Ti Ti15 1 0.65385758 0.49453033 0.87721764 1.0 Ti Ti16 1 0.50520288 0.34570947 0.62246315 1.0 Ti Ti17 1 0.49453033 0.65385758 0.12278236 1.0 Ti Ti18 1 0.15320606 0.00579852 0.87259263 1.0 Ti Ti19 1 0.66992337 0.66992337 0.50000000 1.0 Si Si20 1 0.04411462 0.70515765 0.43829610 1.0 Si Si21 1 0.95423059 0.29447895 0.93760440 1.0 Si Si22 1 0.70515765 0.04411462 0.56170390 1.0 Si Si23 1 0.20612911 0.45413806 0.18789733 1.0 Si Si24 1 0.79316788 0.54698105 0.68590688 1.0 Si Si25 1 0.45413806 0.20612911 0.81210267 1.0 Si Si26 1 0.54698105 0.79316788 0.31409312 1.0 Si Si27 1 0.29447895 0.95423059 0.06239560 1.0 Si Si28 1 0.86627094 0.79230350 0.82244383 1.0 Si Si29 1 0.13343891 0.20769958 0.32318471 1.0 Si Si30 1 0.79230350 0.86627094 0.17755617 1.0 Si Si31 1 0.29378002 0.63396222 0.57226473 1.0 Si Si32 1 0.70770979 0.36675230 0.07313722 1.0 Si Si33 1 0.63396222 0.29378002 0.42773527 1.0 Si Si34 1 0.36675230 0.70770979 0.92686278 1.0 Si Si35 1 0.20769958 0.13343891 0.67681529 1.0