# generated using pymatgen data_Ta6Al8Cu3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69402494 _cell_length_b 8.76344900 _cell_length_c 8.15452694 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.00969889 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6Al8Cu3Ir _chemical_formula_sum 'Ta12 Al16 Cu6 Ir2' _cell_volume 532.49573103 _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 Ta Ta0 1 0.32955908 0.99158456 0.06618811 1.0 Ta Ta1 1 0.67044092 0.00841544 0.93381189 1.0 Ta Ta2 1 0.99680671 0.33149501 0.06799062 1.0 Ta Ta3 1 0.67044092 0.00841544 0.56618811 1.0 Ta Ta4 1 0.99680671 0.33149501 0.43200938 1.0 Ta Ta5 1 0.00319329 0.66850499 0.93200938 1.0 Ta Ta6 1 0.32955908 0.99158456 0.43381189 1.0 Ta Ta7 1 0.00319329 0.66850499 0.56799062 1.0 Ta Ta8 1 0.66812053 0.66423561 0.06641767 1.0 Ta Ta9 1 0.33187947 0.33576439 0.93358233 1.0 Ta Ta10 1 0.33187947 0.33576439 0.56641767 1.0 Ta Ta11 1 0.66812053 0.66423561 0.43358233 1.0 Al Al12 1 0.34330629 0.84716879 0.75000000 1.0 Al Al13 1 0.65450962 0.50536808 0.75000000 1.0 Al Al14 1 0.65669371 0.15283121 0.25000000 1.0 Al Al15 1 0.34549038 0.49463192 0.25000000 1.0 Al Al16 1 0.84467789 0.34196097 0.75000000 1.0 Al Al17 1 0.15532211 0.65803903 0.25000000 1.0 Al Al18 1 0.34000564 0.66535077 0.50547363 1.0 Al Al19 1 0.65999436 0.33464923 0.49452637 1.0 Al Al20 1 0.65999436 0.33464923 0.00547363 1.0 Al Al21 1 0.34000564 0.66535077 0.99452637 1.0 Al Al22 1 0.17888268 0.00944166 0.75000000 1.0 Al Al23 1 0.82111732 0.99055834 0.25000000 1.0 Al Al24 1 0.00896020 0.18022465 0.75000000 1.0 Al Al25 1 0.99103980 0.81977535 0.25000000 1.0 Al Al26 1 0.82461244 0.83445984 0.75000000 1.0 Al Al27 1 0.17538756 0.16554016 0.25000000 1.0 Cu Cu28 1 0.16858585 0.50124282 0.75000000 1.0 Cu Cu29 1 0.83141415 0.49875718 0.25000000 1.0 Cu Cu30 1 0.50513762 0.67198879 0.75000000 1.0 Cu Cu31 1 0.50305291 0.17161035 0.75000000 1.0 Cu Cu32 1 0.49486238 0.32801121 0.25000000 1.0 Cu Cu33 1 0.49694709 0.82838965 0.25000000 1.0 Ir Ir34 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0