# generated using pymatgen data_Sc2Al8GaIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40027847 _cell_length_b 7.40027688 _cell_length_c 9.31070537 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.46004151 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Al8GaIr3 _chemical_formula_sum 'Sc4 Al16 Ga2 Ir6' _cell_volume 443.96283244 _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 0.99584368 0.67645896 0.25000000 1.0 Sc Sc1 1 0.00415632 0.32354104 0.75000000 1.0 Sc Sc2 1 0.67645896 0.99584368 0.25000000 1.0 Sc Sc3 1 0.32354104 0.00415632 0.75000000 1.0 Al Al4 1 0.00027980 0.33557473 0.07500121 1.0 Al Al5 1 0.99972020 0.66442527 0.92499879 1.0 Al Al6 1 0.99972020 0.66442527 0.57500121 1.0 Al Al7 1 0.33557473 0.00027980 0.42499879 1.0 Al Al8 1 0.00027980 0.33557473 0.42499879 1.0 Al Al9 1 0.66442527 0.99972020 0.57500121 1.0 Al Al10 1 0.66442527 0.99972020 0.92499879 1.0 Al Al11 1 0.33557473 0.00027980 0.07500121 1.0 Al Al12 1 0.33277304 0.33277304 0.56042157 1.0 Al Al13 1 0.66722696 0.66722696 0.43957843 1.0 Al Al14 1 0.66722696 0.66722696 0.06042157 1.0 Al Al15 1 0.33277304 0.33277304 0.93957843 1.0 Al Al16 1 0.33806979 0.55409498 0.25000000 1.0 Al Al17 1 0.66193021 0.44590502 0.75000000 1.0 Al Al18 1 0.55409498 0.33806979 0.25000000 1.0 Al Al19 1 0.44590502 0.66193021 0.75000000 1.0 Ga Ga20 1 0.13348090 0.13348090 0.25000000 1.0 Ga Ga21 1 0.86651910 0.86651910 0.75000000 1.0 Ir Ir22 1 0.67221916 0.32778084 0.00000000 1.0 Ir Ir23 1 0.32778084 0.67221916 0.00000000 1.0 Ir Ir24 1 0.32778084 0.67221916 0.50000000 1.0 Ir Ir25 1 0.67221916 0.32778084 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