# generated using pymatgen data_Zr2Ta3AlSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90624275 _cell_length_b 6.90496753 _cell_length_c 12.74366922 _cell_angle_alpha 90.04539428 _cell_angle_beta 90.00261562 _cell_angle_gamma 90.03198460 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Ta3AlSi3 _chemical_formula_sum 'Zr8 Ta12 Al4 Si12' _cell_volume 607.71193537 _cell_formula_units_Z 4 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 0.99987688 0.66832394 0.02891391 1.0 Zr Zr1 1 0.99960622 0.33847630 0.53169878 1.0 Zr Zr2 1 0.65798500 0.00051025 0.96999863 1.0 Zr Zr3 1 0.16310139 0.49949266 0.77907037 1.0 Zr Zr4 1 0.83186520 0.49945743 0.28029890 1.0 Zr Zr5 1 0.49956081 0.15830410 0.21888939 1.0 Zr Zr6 1 0.50007787 0.83637802 0.72141283 1.0 Zr Zr7 1 0.33777405 0.00026277 0.46889040 1.0 Ta Ta8 1 0.35370069 0.50321972 0.37755274 1.0 Ta Ta9 1 0.84507982 0.99958232 0.36951119 1.0 Ta Ta10 1 0.00184000 0.14672546 0.12815968 1.0 Ta Ta11 1 0.99938797 0.84402181 0.63166036 1.0 Ta Ta12 1 0.64831440 0.49740702 0.87595646 1.0 Ta Ta13 1 0.50272225 0.35230073 0.62524225 1.0 Ta Ta14 1 0.49819484 0.65546019 0.12212254 1.0 Ta Ta15 1 0.15627936 0.00086628 0.87181179 1.0 Ta Ta16 1 0.66641169 0.66524865 0.50024396 1.0 Ta Ta17 1 0.83124591 0.16975747 0.75029397 1.0 Ta Ta18 1 0.17185249 0.83626661 0.24861749 1.0 Ta Ta19 1 0.33641437 0.32804768 0.99849410 1.0 Al Al20 1 0.04253355 0.70154847 0.43540312 1.0 Al Al21 1 0.95842961 0.30078113 0.93713839 1.0 Al Al22 1 0.70166065 0.04127155 0.56384649 1.0 Al Al23 1 0.19809397 0.45784700 0.18535242 1.0 Si Si24 1 0.79912637 0.54376323 0.68668611 1.0 Si Si25 1 0.45762344 0.20042264 0.81265108 1.0 Si Si26 1 0.54404011 0.79817615 0.31414754 1.0 Si Si27 1 0.29723216 0.95680813 0.06287367 1.0 Si Si28 1 0.86391040 0.79209140 0.82377921 1.0 Si Si29 1 0.13525040 0.21154853 0.32274918 1.0 Si Si30 1 0.79193491 0.86187212 0.17816188 1.0 Si Si31 1 0.29174282 0.63692245 0.57099239 1.0 Si Si32 1 0.70928823 0.36522835 0.07262155 1.0 Si Si33 1 0.63617413 0.29048374 0.42937228 1.0 Si Si34 1 0.36276015 0.70580701 0.92848446 1.0 Si Si35 1 0.20890391 0.13531767 0.67689949 1.0