# generated using pymatgen data_Zr8Ta7Ti5Si16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.83374196 _cell_length_b 6.83688156 _cell_length_c 12.60673652 _cell_angle_alpha 90.01181897 _cell_angle_beta 90.01848378 _cell_angle_gamma 89.98335648 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Ta7Ti5Si16 _chemical_formula_sum 'Zr8 Ta7 Ti5 Si16' _cell_volume 589.00537501 _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 0.00231897 0.66007733 0.03056606 1.0 Zr Zr1 1 0.99754200 0.34107855 0.53062974 1.0 Zr Zr2 1 0.65834778 0.00216555 0.96966707 1.0 Zr Zr3 1 0.16020569 0.49726975 0.78038555 1.0 Zr Zr4 1 0.84057845 0.50373804 0.28055118 1.0 Zr Zr5 1 0.49637522 0.15810892 0.21928778 1.0 Zr Zr6 1 0.50228977 0.84184388 0.71898761 1.0 Zr Zr7 1 0.34155206 0.99767732 0.46952976 1.0 Ta Ta8 1 0.50487796 0.34651895 0.62266606 1.0 Ta Ta9 1 0.49507235 0.65303974 0.12318609 1.0 Ta Ta10 1 0.15273974 0.00479743 0.87294868 1.0 Ta Ta11 1 0.67008228 0.66908904 0.49988101 1.0 Ta Ta12 1 0.82987410 0.16994582 0.74955249 1.0 Ta Ta13 1 0.16980019 0.83016082 0.25011225 1.0 Ta Ta14 1 0.32995416 0.33047731 0.00008128 1.0 Ti Ti15 1 0.34707557 0.50463737 0.37715011 1.0 Ti Ti16 1 0.84700676 0.99484268 0.37266554 1.0 Ti Ti17 1 0.00494261 0.15292968 0.12721048 1.0 Ti Ti18 1 0.99509900 0.84576832 0.62750062 1.0 Ti Ti19 1 0.65302597 0.49496553 0.87718221 1.0 Si Si20 1 0.04543238 0.70521628 0.43702963 1.0 Si Si21 1 0.95284947 0.29826571 0.93756936 1.0 Si Si22 1 0.70809611 0.04332914 0.56143315 1.0 Si Si23 1 0.20174712 0.45293715 0.18808613 1.0 Si Si24 1 0.79808360 0.54650764 0.68737206 1.0 Si Si25 1 0.45603253 0.20580223 0.81354258 1.0 Si Si26 1 0.54573632 0.79621095 0.31451210 1.0 Si Si27 1 0.29402140 0.95602652 0.06384920 1.0 Si Si28 1 0.86336206 0.79042474 0.82265785 1.0 Si Si29 1 0.13286052 0.20805350 0.32334228 1.0 Si Si30 1 0.79344260 0.86917987 0.17797318 1.0 Si Si31 1 0.29045999 0.63613016 0.57212071 1.0 Si Si32 1 0.70982098 0.36385702 0.07305702 1.0 Si Si33 1 0.63386906 0.29056689 0.42541503 1.0 Si Si34 1 0.36835130 0.70711714 0.92637634 1.0 Si Si35 1 0.20707496 0.13124504 0.67592185 1.0