# generated using pymatgen data_Ta12Al9Zn13Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70792445 _cell_length_b 8.70792311 _cell_length_c 8.15157056 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998662 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta12Al9Zn13Ir2 _chemical_formula_sum 'Ta12 Al9 Zn13 Ir2' _cell_volume 535.30490215 _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 Ta Ta0 1 0.33287690 0.99985550 0.06806192 1.0 Ta Ta1 1 0.66697960 0.99985550 0.93193808 1.0 Ta Ta2 1 0.00014450 0.33302040 0.06806192 1.0 Ta Ta3 1 0.66817821 0.00060952 0.56831101 1.0 Ta Ta4 1 0.99939048 0.33182179 0.43168899 1.0 Ta Ta5 1 0.00014450 0.66712310 0.93193808 1.0 Ta Ta6 1 0.33243131 0.00060952 0.43168899 1.0 Ta Ta7 1 0.99939048 0.66756869 0.56831101 1.0 Ta Ta8 1 0.66697960 0.66712310 0.06806192 1.0 Ta Ta9 1 0.33287690 0.33302040 0.93193808 1.0 Ta Ta10 1 0.33243131 0.33182179 0.56831101 1.0 Ta Ta11 1 0.66817821 0.66756869 0.43168899 1.0 Al Al12 1 0.66666700 0.33333300 0.50000000 1.0 Al Al13 1 0.66666700 0.33333300 0.00000000 1.0 Al Al14 1 0.33333300 0.66666700 0.00000000 1.0 Al Al15 1 0.17237829 0.99969183 0.75022849 1.0 Al Al16 1 0.82731455 0.99969183 0.24977151 1.0 Al Al17 1 0.00030817 0.17268545 0.75022849 1.0 Al Al18 1 0.00030817 0.82762171 0.24977151 1.0 Al Al19 1 0.82731455 0.82762171 0.75022849 1.0 Al Al20 1 0.17237829 0.17268545 0.24977151 1.0 Zn Zn21 1 0.16202263 0.49611952 0.74729708 1.0 Zn Zn22 1 0.83849900 0.50435827 0.24996036 1.0 Zn Zn23 1 0.50388048 0.66590311 0.74729708 1.0 Zn Zn24 1 0.49564173 0.16150100 0.75003964 1.0 Zn Zn25 1 0.49564173 0.33414073 0.24996036 1.0 Zn Zn26 1 0.50388048 0.83797737 0.25270292 1.0 Zn Zn27 1 0.33409689 0.83797737 0.74729708 1.0 Zn Zn28 1 0.66585927 0.50435827 0.75003964 1.0 Zn Zn29 1 0.66585927 0.16150100 0.24996036 1.0 Zn Zn30 1 0.33409689 0.49611952 0.25270292 1.0 Zn Zn31 1 0.83849900 0.33414073 0.75003964 1.0 Zn Zn32 1 0.16202263 0.66590311 0.25270292 1.0 Zn Zn33 1 0.33333300 0.66666700 0.50000000 1.0 Ir Ir34 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0