# generated using pymatgen data_Sc6Al8Si8Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56817501 _cell_length_b 8.56817451 _cell_length_c 8.56817519 _cell_angle_alpha 60.00000117 _cell_angle_beta 60.00000311 _cell_angle_gamma 60.00000233 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Al8Si8Ir7 _chemical_formula_sum 'Sc6 Al8 Si8 Ir7' _cell_volume 444.78485736 _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 Sc Sc0 1 0.19343756 0.80656244 0.80656244 1.0 Sc Sc1 1 0.80656244 0.19343756 0.19343756 1.0 Sc Sc2 1 0.80656244 0.19343756 0.80656244 1.0 Sc Sc3 1 0.80656244 0.80656244 0.19343756 1.0 Sc Sc4 1 0.19343756 0.80656244 0.19343756 1.0 Sc Sc5 1 0.19343756 0.19343756 0.80656244 1.0 Al Al6 1 0.62215039 0.62215039 0.62215039 1.0 Al Al7 1 0.62215039 0.62215039 0.13354682 1.0 Al Al8 1 0.13354682 0.62215039 0.62215039 1.0 Al Al9 1 0.62215039 0.13354682 0.62215039 1.0 Al Al10 1 0.37784961 0.37784961 0.37784961 1.0 Al Al11 1 0.37784961 0.37784961 0.86645318 1.0 Al Al12 1 0.37784961 0.86645318 0.37784961 1.0 Al Al13 1 0.86645318 0.37784961 0.37784961 1.0 Si Si14 1 0.84706817 0.84706817 0.84706817 1.0 Si Si15 1 0.84706817 0.84706817 0.45879550 1.0 Si Si16 1 0.45879550 0.84706817 0.84706817 1.0 Si Si17 1 0.84706817 0.45879550 0.84706817 1.0 Si Si18 1 0.15293183 0.15293183 0.15293183 1.0 Si Si19 1 0.15293183 0.15293183 0.54120450 1.0 Si Si20 1 0.15293183 0.54120450 0.15293183 1.0 Si Si21 1 0.54120450 0.15293183 0.15293183 1.0 Ir Ir22 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir23 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir24 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir25 1 0.50000000 0.00000000 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 0.00000000 0.00000000 0.50000000 1.0