# generated using pymatgen data_Zr8Ti9Re3Si16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75568564 _cell_length_b 6.75568564 _cell_length_c 12.42595156 _cell_angle_alpha 89.90743703 _cell_angle_beta 90.09256297 _cell_angle_gamma 89.99491795 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Ti9Re3Si16 _chemical_formula_sum 'Zr8 Ti9 Re3 Si16' _cell_volume 567.11010480 _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 0.00076652 0.65831071 0.02970726 1.0 Zr Zr1 1 0.00078908 0.33954054 0.52851998 1.0 Zr Zr2 1 0.65831071 0.00076652 0.97029274 1.0 Zr Zr3 1 0.15950951 0.50115294 0.77926250 1.0 Zr Zr4 1 0.84106682 0.49927629 0.27999489 1.0 Zr Zr5 1 0.50115294 0.15950951 0.22073750 1.0 Zr Zr6 1 0.49927629 0.84106682 0.72000511 1.0 Zr Zr7 1 0.33954054 0.00078908 0.47148002 1.0 Ti Ti8 1 0.34613749 0.50310466 0.37758099 1.0 Ti Ti9 1 0.84713899 0.99822403 0.37357016 1.0 Ti Ti10 1 0.00364984 0.15318141 0.12652903 1.0 Ti Ti11 1 0.99822403 0.84713899 0.62642984 1.0 Ti Ti12 1 0.65162724 0.49811624 0.87529974 1.0 Ti Ti13 1 0.50310466 0.34613749 0.62241901 1.0 Ti Ti14 1 0.49811624 0.65162724 0.12470026 1.0 Ti Ti15 1 0.15318141 0.00364984 0.87347097 1.0 Ti Ti16 1 0.32904263 0.32904263 0.00000000 1.0 Re Re17 1 0.67045292 0.67045292 0.50000000 1.0 Re Re18 1 0.82927882 0.16921585 0.74788053 1.0 Re Re19 1 0.16921585 0.82927882 0.25211947 1.0 Si Si20 1 0.04423505 0.70684169 0.43484042 1.0 Si Si21 1 0.95276077 0.29389485 0.93343616 1.0 Si Si22 1 0.70684169 0.04423505 0.56515958 1.0 Si Si23 1 0.20677485 0.45655616 0.18549586 1.0 Si Si24 1 0.79291704 0.54460766 0.68442344 1.0 Si Si25 1 0.45655616 0.20677485 0.81450414 1.0 Si Si26 1 0.54460766 0.79291704 0.31557656 1.0 Si Si27 1 0.29389485 0.95276077 0.06656384 1.0 Si Si28 1 0.86665802 0.79520315 0.82210406 1.0 Si Si29 1 0.13381179 0.20607125 0.32167598 1.0 Si Si30 1 0.79520315 0.86665802 0.17789594 1.0 Si Si31 1 0.29480214 0.63310367 0.57233861 1.0 Si Si32 1 0.70661619 0.36556319 0.07070302 1.0 Si Si33 1 0.63310367 0.29480214 0.42766139 1.0 Si Si34 1 0.36556319 0.70661619 0.92929698 1.0 Si Si35 1 0.20607125 0.13381179 0.67832402 1.0