# generated using pymatgen data_Zr3U(Nb3Si4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93243549 _cell_length_b 6.93804571 _cell_length_c 12.82402904 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.31630201 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3U(Nb3Si4)2 _chemical_formula_sum 'Zr6 U2 Nb12 Si16' _cell_volume 616.79503386 _cell_formula_units_Z 2 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 0.00263561 0.34179389 0.21641656 1.0 Zr Zr1 1 0.99736439 0.65820611 0.71641656 1.0 Zr Zr2 1 0.15940398 0.50219333 0.46799132 1.0 Zr Zr3 1 0.49977754 0.83999659 0.03338014 1.0 Zr Zr4 1 0.84059602 0.49780667 0.96799132 1.0 Zr Zr5 1 0.50022246 0.16000341 0.53338014 1.0 U U6 1 0.33575517 0.99559083 0.78090972 1.0 U U7 1 0.66424483 0.00440917 0.28090972 1.0 Nb Nb8 1 0.17029237 0.17024006 0.99921115 1.0 Nb Nb9 1 0.82970763 0.82975994 0.49921115 1.0 Nb Nb10 1 0.32951684 0.66884579 0.25050110 1.0 Nb Nb11 1 0.67048316 0.33115421 0.75050110 1.0 Nb Nb12 1 0.14986848 0.99353560 0.37646991 1.0 Nb Nb13 1 0.85013152 0.00646440 0.87646991 1.0 Nb Nb14 1 0.50633378 0.65490067 0.62583041 1.0 Nb Nb15 1 0.34825887 0.49967355 0.87449928 1.0 Nb Nb16 1 0.49366622 0.34509933 0.12583041 1.0 Nb Nb17 1 0.65174113 0.50032645 0.37449928 1.0 Nb Nb18 1 0.99821963 0.15494241 0.62392255 1.0 Nb Nb19 1 0.00178037 0.84505759 0.12392255 1.0 Si Si20 1 0.29269561 0.04448016 0.18659325 1.0 Si Si21 1 0.70730439 0.95551984 0.68659325 1.0 Si Si22 1 0.45372068 0.79628649 0.43716806 1.0 Si Si23 1 0.20314441 0.54482031 0.06330177 1.0 Si Si24 1 0.54627932 0.20371351 0.93716806 1.0 Si Si25 1 0.79685559 0.45517969 0.56330177 1.0 Si Si26 1 0.04429091 0.30311860 0.81323779 1.0 Si Si27 1 0.95570909 0.69688140 0.31323779 1.0 Si Si28 1 0.36028602 0.29322863 0.32267122 1.0 Si Si29 1 0.63971398 0.70677137 0.82267122 1.0 Si Si30 1 0.20644203 0.86454866 0.56933080 1.0 Si Si31 1 0.13116649 0.78796377 0.93110365 1.0 Si Si32 1 0.79355797 0.13545134 0.06933080 1.0 Si Si33 1 0.86883351 0.21203623 0.43110365 1.0 Si Si34 1 0.29244253 0.37040376 0.67746331 1.0 Si Si35 1 0.70755747 0.62959624 0.17746331 1.0