# generated using pymatgen data_Sc2Al6(GaIr)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39030049 _cell_length_b 7.39030078 _cell_length_c 9.37023287 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.85876608 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Al6(GaIr)3 _chemical_formula_sum 'Sc4 Al12 Ga6 Ir6' _cell_volume 443.83499612 _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 Sc Sc0 1 0.99945404 0.67005696 0.25000000 1.0 Sc Sc1 1 0.00054596 0.32994304 0.75000000 1.0 Sc Sc2 1 0.67005696 0.99945404 0.25000000 1.0 Sc Sc3 1 0.32994304 0.00054596 0.75000000 1.0 Al Al4 1 0.00082071 0.33409653 0.07383907 1.0 Al Al5 1 0.99917929 0.66590347 0.92616093 1.0 Al Al6 1 0.99917929 0.66590347 0.57383907 1.0 Al Al7 1 0.33409653 0.00082071 0.42616093 1.0 Al Al8 1 0.00082071 0.33409653 0.42616093 1.0 Al Al9 1 0.66590347 0.99917929 0.57383907 1.0 Al Al10 1 0.66590347 0.99917929 0.92616093 1.0 Al Al11 1 0.33409653 0.00082071 0.07383907 1.0 Al Al12 1 0.33330195 0.33330195 0.56593897 1.0 Al Al13 1 0.66669805 0.66669805 0.43406103 1.0 Al Al14 1 0.66669805 0.66669805 0.06593897 1.0 Al Al15 1 0.33330195 0.33330195 0.93406103 1.0 Ga Ga16 1 0.12479562 0.12479562 0.25000000 1.0 Ga Ga17 1 0.87520438 0.87520438 0.75000000 1.0 Ga Ga18 1 0.33693810 0.55005412 0.25000000 1.0 Ga Ga19 1 0.66306190 0.44994588 0.75000000 1.0 Ga Ga20 1 0.55005412 0.33693810 0.25000000 1.0 Ga Ga21 1 0.44994588 0.66306190 0.75000000 1.0 Ir Ir22 1 0.67202280 0.32797720 0.00000000 1.0 Ir Ir23 1 0.32797720 0.67202280 0.00000000 1.0 Ir Ir24 1 0.32797720 0.67202280 0.50000000 1.0 Ir Ir25 1 0.67202280 0.32797720 0.50000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0