# generated using pymatgen data_YZr3(Ta3Si4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89062639 _cell_length_b 6.89375766 _cell_length_c 12.73646319 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.89034199 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZr3(Ta3Si4)2 _chemical_formula_sum 'Y2 Zr6 Ta12 Si16' _cell_volume 605.01029504 _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 0.99724147 0.66181831 0.03073427 1.0 Y Y1 1 0.00275853 0.33818169 0.53073427 1.0 Zr Zr2 1 0.65696999 0.00405499 0.96787554 1.0 Zr Zr3 1 0.16071553 0.49768624 0.78179004 1.0 Zr Zr4 1 0.83928447 0.50231376 0.28179004 1.0 Zr Zr5 1 0.49802405 0.16083253 0.21943643 1.0 Zr Zr6 1 0.50197595 0.83916747 0.71943643 1.0 Zr Zr7 1 0.34303001 0.99594501 0.46787554 1.0 Ta Ta8 1 0.34776609 0.50721140 0.37550619 1.0 Ta Ta9 1 0.84435758 0.99723087 0.37247973 1.0 Ta Ta10 1 0.00543102 0.15293891 0.12707627 1.0 Ta Ta11 1 0.99456898 0.84706109 0.62707627 1.0 Ta Ta12 1 0.65223391 0.49278860 0.87550619 1.0 Ta Ta13 1 0.50380478 0.34798658 0.62427617 1.0 Ta Ta14 1 0.49619522 0.65201342 0.12427617 1.0 Ta Ta15 1 0.15564242 0.00276913 0.87247973 1.0 Ta Ta16 1 0.66816199 0.67256318 0.50004827 1.0 Ta Ta17 1 0.82912591 0.16876592 0.75045913 1.0 Ta Ta18 1 0.17087409 0.83123408 0.25045913 1.0 Ta Ta19 1 0.33183801 0.32743682 0.00004827 1.0 Si Si20 1 0.04454997 0.70676376 0.43626037 1.0 Si Si21 1 0.95545003 0.29323624 0.93626037 1.0 Si Si22 1 0.70022251 0.04410031 0.56354170 1.0 Si Si23 1 0.20316116 0.45483240 0.18759751 1.0 Si Si24 1 0.79683884 0.54516760 0.68759751 1.0 Si Si25 1 0.45543464 0.20160397 0.81291809 1.0 Si Si26 1 0.54456536 0.79839603 0.31291809 1.0 Si Si27 1 0.29977749 0.95589969 0.06354170 1.0 Si Si28 1 0.86350360 0.79319111 0.82060711 1.0 Si Si29 1 0.13649640 0.20680889 0.32060711 1.0 Si Si30 1 0.78891533 0.86841498 0.18009786 1.0 Si Si31 1 0.29437775 0.63851899 0.57202766 1.0 Si Si32 1 0.70562225 0.36148101 0.07202766 1.0 Si Si33 1 0.63164134 0.29274970 0.42726766 1.0 Si Si34 1 0.36835866 0.70725030 0.92726766 1.0 Si Si35 1 0.21108467 0.13158502 0.68009786 1.0