# generated using pymatgen data_Sc2Al9NiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40967452 _cell_length_b 7.40967474 _cell_length_c 9.18166147 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.37908447 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Al9NiIr2 _chemical_formula_sum 'Sc4 Al18 Ni2 Ir4' _cell_volume 434.88909049 _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 0.99459917 0.66241673 0.25000000 1.0 Sc Sc1 1 0.00540083 0.33758327 0.75000000 1.0 Sc Sc2 1 0.66241673 0.99459917 0.25000000 1.0 Sc Sc3 1 0.33758327 0.00540083 0.75000000 1.0 Al Al4 1 0.10947370 0.10947370 0.25000000 1.0 Al Al5 1 0.89052630 0.89052630 0.75000000 1.0 Al Al6 1 0.99746957 0.32878851 0.07467907 1.0 Al Al7 1 0.00253043 0.67121149 0.92532093 1.0 Al Al8 1 0.00253043 0.67121149 0.57467907 1.0 Al Al9 1 0.32878851 0.99746957 0.42532093 1.0 Al Al10 1 0.99746957 0.32878851 0.42532093 1.0 Al Al11 1 0.67121149 0.00253043 0.57467907 1.0 Al Al12 1 0.67121149 0.00253043 0.92532093 1.0 Al Al13 1 0.32878851 0.99746957 0.07467907 1.0 Al Al14 1 0.32749395 0.32749395 0.55713610 1.0 Al Al15 1 0.67250605 0.67250605 0.44286390 1.0 Al Al16 1 0.67250605 0.67250605 0.05713610 1.0 Al Al17 1 0.32749395 0.32749395 0.94286390 1.0 Al Al18 1 0.33690995 0.54546695 0.25000000 1.0 Al Al19 1 0.66309005 0.45453305 0.75000000 1.0 Al Al20 1 0.54546695 0.33690995 0.25000000 1.0 Al Al21 1 0.45453305 0.66309005 0.75000000 1.0 Ni Ni22 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni23 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.67223361 0.32776639 0.00000000 1.0 Ir Ir25 1 0.32776639 0.67223361 0.00000000 1.0 Ir Ir26 1 0.32776639 0.67223361 0.50000000 1.0 Ir Ir27 1 0.67223361 0.32776639 0.50000000 1.0