# generated using pymatgen data_Y3Zr(Nb3Si4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00909197 _cell_length_b 7.01681069 _cell_length_c 12.98631222 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.87774510 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Zr(Nb3Si4)2 _chemical_formula_sum 'Y6 Zr2 Nb12 Si16' _cell_volume 638.68449023 _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 Y Y0 1 0.99806839 0.33865173 0.21819765 1.0 Y Y1 1 0.00193161 0.66134827 0.71819765 1.0 Y Y2 1 0.15838544 0.49827489 0.46675890 1.0 Y Y3 1 0.50229440 0.84121399 0.03161821 1.0 Y Y4 1 0.84161456 0.50172511 0.96675890 1.0 Y Y5 1 0.49770560 0.15878601 0.53161821 1.0 Zr Zr6 1 0.34489165 0.00770657 0.78466009 1.0 Zr Zr7 1 0.65510835 0.99229343 0.28466009 1.0 Nb Nb8 1 0.17373114 0.17067792 0.99993129 1.0 Nb Nb9 1 0.82626886 0.82932208 0.49993129 1.0 Nb Nb10 1 0.33209193 0.67313874 0.25002569 1.0 Nb Nb11 1 0.66790807 0.32686126 0.75002569 1.0 Nb Nb12 1 0.15282062 0.99333929 0.37572297 1.0 Nb Nb13 1 0.84717938 0.00666071 0.87572297 1.0 Nb Nb14 1 0.50413670 0.65325632 0.62700387 1.0 Nb Nb15 1 0.34707649 0.49218894 0.87295518 1.0 Nb Nb16 1 0.49586330 0.34674368 0.12700387 1.0 Nb Nb17 1 0.65292351 0.50781106 0.37295518 1.0 Nb Nb18 1 0.99061111 0.14950730 0.62447359 1.0 Nb Nb19 1 0.00938889 0.85049270 0.12447359 1.0 Si Si20 1 0.29935998 0.04602460 0.18803938 1.0 Si Si21 1 0.70064002 0.95397540 0.68803938 1.0 Si Si22 1 0.45385750 0.79424095 0.43669910 1.0 Si Si23 1 0.20756659 0.54672172 0.06240729 1.0 Si Si24 1 0.54614250 0.20575905 0.93669910 1.0 Si Si25 1 0.79243341 0.45327828 0.56240729 1.0 Si Si26 1 0.04714431 0.29134242 0.81239547 1.0 Si Si27 1 0.95285569 0.70865758 0.31239547 1.0 Si Si28 1 0.37079442 0.29021555 0.31784851 1.0 Si Si29 1 0.62920558 0.70978445 0.81784851 1.0 Si Si30 1 0.20564010 0.86658385 0.56890382 1.0 Si Si31 1 0.13742488 0.79836619 0.92934655 1.0 Si Si32 1 0.79435990 0.13341615 0.06890382 1.0 Si Si33 1 0.86257512 0.20163381 0.42934655 1.0 Si Si34 1 0.29320356 0.36243132 0.68301246 1.0 Si Si35 1 0.70679644 0.63756868 0.18301246 1.0