# generated using pymatgen data_Ta5Al(ZnIr2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13190156 _cell_length_b 6.90247424 _cell_length_c 12.38501546 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99976487 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta5Al(ZnIr2)6 _chemical_formula_sum 'Ta5 Al1 Zn6 Ir12' _cell_volume 353.22490257 _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 0.99999976 0.50000000 0.99482466 1.0 Ta Ta1 1 0.49997674 0.00000000 0.16627395 1.0 Ta Ta2 1 0.99996457 0.50000000 0.33332027 1.0 Ta Ta3 1 0.50000915 0.00000000 0.50038003 1.0 Ta Ta4 1 0.00001501 0.50000000 0.67185564 1.0 Al Al5 1 0.50001968 0.00000000 0.83334269 1.0 Zn Zn6 1 0.99999089 0.00000000 0.00002910 1.0 Zn Zn7 1 0.49996536 0.50000000 0.16266147 1.0 Zn Zn8 1 0.99996918 0.00000000 0.33329215 1.0 Zn Zn9 1 0.50000612 0.50000000 0.50396215 1.0 Zn Zn10 1 0.00003502 0.00000000 0.66668695 1.0 Zn Zn11 1 0.50003162 0.50000000 0.83336593 1.0 Ir Ir12 1 0.50000206 0.24540045 0.99770478 1.0 Ir Ir13 1 0.50000206 0.75460055 0.99770478 1.0 Ir Ir14 1 0.99998503 0.25227915 0.16603104 1.0 Ir Ir15 1 0.99998503 0.74772185 0.16603104 1.0 Ir Ir16 1 0.49997895 0.25317030 0.33332238 1.0 Ir Ir17 1 0.49997895 0.74682970 0.33332238 1.0 Ir Ir18 1 0.00000663 0.25227913 0.50062098 1.0 Ir Ir19 1 0.00000663 0.74772187 0.50062098 1.0 Ir Ir20 1 0.50001893 0.24540862 0.66897485 1.0 Ir Ir21 1 0.50001893 0.75459138 0.66897485 1.0 Ir Ir22 1 0.00001535 0.24342406 0.83334898 1.0 Ir Ir23 1 0.00001535 0.75657694 0.83334898 1.0