# generated using pymatgen data_Zr6Al6Ir5Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17171818 _cell_length_b 7.17171794 _cell_length_c 7.02325299 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000109 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al6Ir5Pd _chemical_formula_sum 'Zr6 Al6 Ir5 Pd1' _cell_volume 312.83501401 _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 Zr Zr0 1 0.58713496 0.58641644 0.25000000 1.0 Zr Zr1 1 0.00065433 0.40081681 0.75000000 1.0 Zr Zr2 1 0.41358356 0.00071953 0.25000000 1.0 Zr Zr3 1 0.99928047 0.41286504 0.25000000 1.0 Zr Zr4 1 0.40016148 0.99934567 0.75000000 1.0 Zr Zr5 1 0.59918319 0.59983852 0.75000000 1.0 Al Al6 1 0.25872230 0.25873460 0.50132436 1.0 Al Al7 1 0.74126540 0.99998670 0.50132436 1.0 Al Al8 1 0.00001330 0.74127770 0.50132436 1.0 Al Al9 1 0.74126540 0.99998670 0.99867564 1.0 Al Al10 1 0.25872230 0.25873460 0.99867564 1.0 Al Al11 1 0.00001330 0.74127770 0.99867564 1.0 Ir Ir12 1 0.33333300 0.66666700 0.49871854 1.0 Ir Ir13 1 0.00000000 0.00000000 0.75000000 1.0 Ir Ir14 1 0.33333300 0.66666700 0.00128146 1.0 Ir Ir15 1 0.66666700 0.33333300 0.50083182 1.0 Ir Ir16 1 0.66666700 0.33333300 0.99916818 1.0 Pd Pd17 1 0.00000000 0.00000000 0.25000000 1.0