# generated using pymatgen data_Y3Zr5(Nb3Si4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94817727 _cell_length_b 6.94940333 _cell_length_c 12.84864824 _cell_angle_alpha 89.94343151 _cell_angle_beta 90.09997032 _cell_angle_gamma 89.77453514 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Zr5(Nb3Si4)4 _chemical_formula_sum 'Y3 Zr5 Nb12 Si16' _cell_volume 620.39974349 _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 Y Y0 1 0.99774388 0.65905834 0.03223523 1.0 Y Y1 1 0.00318401 0.33942830 0.53108585 1.0 Y Y2 1 0.65941715 0.99776627 0.96794978 1.0 Zr Zr3 1 0.15927728 0.49671644 0.78198805 1.0 Zr Zr4 1 0.84127295 0.50280781 0.28426983 1.0 Zr Zr5 1 0.49707077 0.15956633 0.21831960 1.0 Zr Zr6 1 0.50299433 0.84166506 0.71677061 1.0 Zr Zr7 1 0.34489322 0.99591701 0.46678289 1.0 Nb Nb8 1 0.34847719 0.50675704 0.37588305 1.0 Nb Nb9 1 0.84536897 0.99737997 0.37351984 1.0 Nb Nb10 1 0.00482802 0.15452200 0.12884147 1.0 Nb Nb11 1 0.99587889 0.84841822 0.62568506 1.0 Nb Nb12 1 0.65058230 0.49365637 0.87416067 1.0 Nb Nb13 1 0.50350513 0.34884664 0.62366126 1.0 Nb Nb14 1 0.49364225 0.65072651 0.12639337 1.0 Nb Nb15 1 0.15496902 0.00400708 0.87149304 1.0 Nb Nb16 1 0.66854869 0.67317142 0.49997096 1.0 Nb Nb17 1 0.83038249 0.16918543 0.74885893 1.0 Nb Nb18 1 0.17054587 0.83120743 0.25151992 1.0 Nb Nb19 1 0.32912854 0.32916371 0.00005483 1.0 Si Si20 1 0.04616692 0.70765776 0.43690968 1.0 Si Si21 1 0.95595920 0.29464181 0.93632823 1.0 Si Si22 1 0.70073290 0.04561665 0.56269399 1.0 Si Si23 1 0.20303760 0.45375400 0.18883873 1.0 Si Si24 1 0.79674724 0.54542908 0.68704988 1.0 Si Si25 1 0.45414153 0.20308126 0.81166552 1.0 Si Si26 1 0.54493126 0.79813460 0.31327438 1.0 Si Si27 1 0.29508660 0.95575428 0.06377589 1.0 Si Si28 1 0.86703321 0.78998954 0.81707658 1.0 Si Si29 1 0.13695943 0.20695889 0.32087153 1.0 Si Si30 1 0.79031890 0.86687282 0.18318825 1.0 Si Si31 1 0.29512983 0.63940980 0.57176963 1.0 Si Si32 1 0.70424128 0.36412470 0.07273754 1.0 Si Si33 1 0.63190669 0.29268408 0.42716857 1.0 Si Si34 1 0.36397913 0.70374611 0.92756654 1.0 Si Si35 1 0.21191434 0.13217922 0.67964182 1.0