# generated using pymatgen data_Zr8Ti9Nb3Ge16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81466182 _cell_length_b 6.93035170 _cell_length_c 13.10848819 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.01128823 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Ti9Nb3Ge16 _chemical_formula_sum 'Zr8 Ti9 Nb3 Ge16' _cell_volume 619.08770895 _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 0.49049658 0.67570857 0.59509702 1.0 Zr Zr1 1 0.99215689 0.82609512 0.90425876 1.0 Zr Zr2 1 0.50907524 0.32531687 0.09521594 1.0 Zr Zr3 1 0.00860830 0.17510459 0.40456143 1.0 Zr Zr4 1 0.50907524 0.32531687 0.40478406 1.0 Zr Zr5 1 0.00860830 0.17510459 0.09543857 1.0 Zr Zr6 1 0.49049658 0.67570857 0.90490298 1.0 Zr Zr7 1 0.99215689 0.82609512 0.59574124 1.0 Ti Ti8 1 0.65531822 0.16814498 0.62561288 1.0 Ti Ti9 1 0.15835611 0.33042484 0.87440484 1.0 Ti Ti10 1 0.34261626 0.83037767 0.12491410 1.0 Ti Ti11 1 0.84313154 0.66875376 0.37575832 1.0 Ti Ti12 1 0.34261626 0.83037767 0.37508590 1.0 Ti Ti13 1 0.84313154 0.66875376 0.12424168 1.0 Ti Ti14 1 0.65531822 0.16814498 0.87438712 1.0 Ti Ti15 1 0.15835611 0.33042484 0.62559516 1.0 Ti Ti16 1 0.82919785 0.49558132 0.75000000 1.0 Nb Nb17 1 0.32912071 0.00439121 0.75000000 1.0 Nb Nb18 1 0.17140821 0.50523158 0.25000000 1.0 Nb Nb19 1 0.67109836 0.99509444 0.25000000 1.0 Ge Ge20 1 0.68193253 0.95921668 0.46164746 1.0 Ge Ge21 1 0.18187855 0.54100258 0.03792021 1.0 Ge Ge22 1 0.31800284 0.04144979 0.96149709 1.0 Ge Ge23 1 0.81839165 0.45940819 0.54101863 1.0 Ge Ge24 1 0.31800284 0.04144979 0.53850291 1.0 Ge Ge25 1 0.81839165 0.45940819 0.95898137 1.0 Ge Ge26 1 0.68193253 0.95921668 0.03835254 1.0 Ge Ge27 1 0.18187855 0.54100258 0.46207979 1.0 Ge Ge28 1 0.45988633 0.38023448 0.75000000 1.0 Ge Ge29 1 0.95439795 0.12506106 0.75000000 1.0 Ge Ge30 1 0.54435202 0.62200844 0.25000000 1.0 Ge Ge31 1 0.04347819 0.87768037 0.25000000 1.0 Ge Ge32 1 0.69431655 0.85640997 0.75000000 1.0 Ge Ge33 1 0.18793726 0.63605083 0.75000000 1.0 Ge Ge34 1 0.30737910 0.13842818 0.25000000 1.0 Ge Ge35 1 0.80750205 0.36181881 0.25000000 1.0