# generated using pymatgen data_Zr6Sc8Al8Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.05277359 _cell_length_b 9.05277387 _cell_length_c 9.05277330 _cell_angle_alpha 59.99999849 _cell_angle_beta 59.99999747 _cell_angle_gamma 60.00000142 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Sc8Al8Ir7 _chemical_formula_sum 'Zr6 Sc8 Al8 Ir7' _cell_volume 524.60203326 _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 0.67844389 0.67844389 0.32155611 1.0 Zr Zr1 1 0.32155611 0.67844389 0.32155611 1.0 Zr Zr2 1 0.67844389 0.32155611 0.32155611 1.0 Zr Zr3 1 0.32155611 0.32155611 0.67844389 1.0 Zr Zr4 1 0.67844389 0.32155611 0.67844389 1.0 Zr Zr5 1 0.32155611 0.67844389 0.67844389 1.0 Sc Sc6 1 0.87748206 0.87748206 0.36755483 1.0 Sc Sc7 1 0.87748206 0.36755483 0.87748206 1.0 Sc Sc8 1 0.36755483 0.87748206 0.87748206 1.0 Sc Sc9 1 0.87748206 0.87748206 0.87748206 1.0 Sc Sc10 1 0.12251794 0.12251794 0.63244517 1.0 Sc Sc11 1 0.12251794 0.63244517 0.12251794 1.0 Sc Sc12 1 0.63244517 0.12251794 0.12251794 1.0 Sc Sc13 1 0.12251794 0.12251794 0.12251794 1.0 Al Al14 1 0.66149883 0.66149883 0.01550251 1.0 Al Al15 1 0.66149883 0.01550251 0.66149883 1.0 Al Al16 1 0.01550251 0.66149883 0.66149883 1.0 Al Al17 1 0.66149883 0.66149883 0.66149883 1.0 Al Al18 1 0.33850117 0.33850117 0.98449749 1.0 Al Al19 1 0.33850117 0.98449749 0.33850117 1.0 Al Al20 1 0.98449749 0.33850117 0.33850117 1.0 Al Al21 1 0.33850117 0.33850117 0.33850117 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir26 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.00000000 1.0