# generated using pymatgen data_Sc6Ti7Al9Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.84896870 _cell_length_b 8.84896762 _cell_length_c 8.84896883 _cell_angle_alpha 59.95368766 _cell_angle_beta 59.95368787 _cell_angle_gamma 59.95369805 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Ti7Al9Ir8 _chemical_formula_sum 'Sc6 Ti7 Al9 Ir8' _cell_volume 489.44802325 _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 0.21246803 0.21246803 0.78951350 1.0 Sc Sc1 1 0.78951350 0.21246803 0.21246803 1.0 Sc Sc2 1 0.21246803 0.78951350 0.21246803 1.0 Sc Sc3 1 0.79631690 0.79631690 0.19158276 1.0 Sc Sc4 1 0.19158276 0.79631690 0.79631690 1.0 Sc Sc5 1 0.79631690 0.19158276 0.79631690 1.0 Ti Ti6 1 0.37903260 0.37903260 0.37903260 1.0 Ti Ti7 1 0.38134744 0.86264647 0.38134744 1.0 Ti Ti8 1 0.86264647 0.38134744 0.38134744 1.0 Ti Ti9 1 0.38134744 0.38134744 0.86264647 1.0 Ti Ti10 1 0.83703926 0.48701999 0.83703926 1.0 Ti Ti11 1 0.48701999 0.83703926 0.83703926 1.0 Ti Ti12 1 0.83703926 0.83703926 0.48701999 1.0 Al Al13 1 0.16460441 0.16460441 0.16460441 1.0 Al Al14 1 0.16441882 0.50952338 0.16441882 1.0 Al Al15 1 0.50952338 0.16441882 0.16441882 1.0 Al Al16 1 0.16441882 0.16441882 0.50952338 1.0 Al Al17 1 0.61865955 0.61865955 0.61865955 1.0 Al Al18 1 0.61963019 0.14307862 0.61963019 1.0 Al Al19 1 0.14307862 0.61963019 0.61963019 1.0 Al Al20 1 0.61963019 0.61963019 0.14307862 1.0 Al Al21 1 0.82405587 0.82405587 0.82405587 1.0 Ir Ir22 1 0.00177739 0.00177739 0.49722747 1.0 Ir Ir23 1 0.49722747 0.00177739 0.00177739 1.0 Ir Ir24 1 0.00177739 0.49722747 0.00177739 1.0 Ir Ir25 1 0.50095859 0.50095859 0.00046841 1.0 Ir Ir26 1 0.00046841 0.50095859 0.50095859 1.0 Ir Ir27 1 0.50095859 0.00046841 0.50095859 1.0 Ir Ir28 1 0.50017350 0.50017350 0.50017350 1.0 Ir Ir29 1 0.00449928 0.00449928 0.00449928 1.0