# generated using pymatgen data_Zr4Ti3Nb3Si8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85319178 _cell_length_b 6.85341114 _cell_length_c 12.63008545 _cell_angle_alpha 90.00467737 _cell_angle_beta 89.97452958 _cell_angle_gamma 90.00890046 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Ti3Nb3Si8 _chemical_formula_sum 'Zr8 Ti6 Nb6 Si16' _cell_volume 593.20651357 _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 0.34199060 0.99687747 0.46898157 1.0 Zr Zr1 1 0.50236224 0.84223215 0.71858744 1.0 Zr Zr2 1 0.49707204 0.15691407 0.21898825 1.0 Zr Zr3 1 0.84144937 0.50329362 0.28113159 1.0 Zr Zr4 1 0.15866731 0.49727342 0.78106494 1.0 Zr Zr5 1 0.65718597 0.00226869 0.96866296 1.0 Zr Zr6 1 0.99662830 0.34197962 0.53091535 1.0 Zr Zr7 1 0.00233750 0.65912373 0.03125374 1.0 Ti Ti8 1 0.50518010 0.34730411 0.62175673 1.0 Ti Ti9 1 0.65329134 0.49437188 0.87753791 1.0 Ti Ti10 1 0.34750833 0.50501568 0.37799292 1.0 Ti Ti11 1 0.84738095 0.99526329 0.37258213 1.0 Ti Ti12 1 0.00533053 0.15256908 0.12781672 1.0 Ti Ti13 1 0.99471291 0.84679667 0.62765718 1.0 Nb Nb14 1 0.33022932 0.32958075 0.99984282 1.0 Nb Nb15 1 0.16952833 0.83039007 0.25067386 1.0 Nb Nb16 1 0.82967015 0.17012221 0.74927268 1.0 Nb Nb17 1 0.66989039 0.66938460 0.50006550 1.0 Nb Nb18 1 0.15250689 0.00442222 0.87222978 1.0 Nb Nb19 1 0.49590988 0.65241992 0.12296523 1.0 Si Si20 1 0.21022669 0.13401354 0.67451631 1.0 Si Si21 1 0.36842516 0.70727532 0.92565766 1.0 Si Si22 1 0.63308291 0.29071166 0.42660382 1.0 Si Si23 1 0.71097974 0.36326518 0.07324699 1.0 Si Si24 1 0.29105906 0.63331798 0.57319602 1.0 Si Si25 1 0.79336273 0.86927695 0.17785683 1.0 Si Si26 1 0.13312388 0.20938210 0.32413801 1.0 Si Si27 1 0.86303326 0.78929986 0.82240514 1.0 Si Si28 1 0.29399818 0.95498780 0.06342123 1.0 Si Si29 1 0.54687837 0.79616261 0.31437643 1.0 Si Si30 1 0.45567143 0.20785414 0.81070787 1.0 Si Si31 1 0.79462539 0.54590818 0.68728873 1.0 Si Si32 1 0.20247335 0.45198758 0.18877676 1.0 Si Si33 1 0.70574845 0.04590172 0.56179755 1.0 Si Si34 1 0.95225945 0.29760327 0.93796075 1.0 Si Si35 1 0.04622448 0.70544686 0.43807161 1.0