# generated using pymatgen data_Sc8Ga3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.43418026 _cell_length_b 9.43417855 _cell_length_c 6.40515527 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999909 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Ga3Ir _chemical_formula_sum 'Sc16 Ga6 Ir2' _cell_volume 493.70617464 _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 0.82919829 0.65839959 0.50092613 1.0 Sc Sc1 1 0.34160041 0.17080171 0.50092613 1.0 Sc Sc2 1 0.82919829 0.17080171 0.50092613 1.0 Sc Sc3 1 0.17080171 0.34160041 0.00092613 1.0 Sc Sc4 1 0.65839959 0.82919829 0.00092613 1.0 Sc Sc5 1 0.17080171 0.82919829 0.00092613 1.0 Sc Sc6 1 0.66666700 0.33333300 0.15064786 1.0 Sc Sc7 1 0.33333300 0.66666700 0.65064786 1.0 Sc Sc8 1 0.52831973 0.05663846 0.78995917 1.0 Sc Sc9 1 0.94336154 0.47168027 0.78995917 1.0 Sc Sc10 1 0.52831973 0.47168027 0.78995917 1.0 Sc Sc11 1 0.47168027 0.94336154 0.28995917 1.0 Sc Sc12 1 0.05663846 0.52831973 0.28995917 1.0 Sc Sc13 1 0.47168027 0.52831973 0.28995917 1.0 Sc Sc14 1 0.00000000 0.00000000 0.77367923 1.0 Sc Sc15 1 0.00000000 0.00000000 0.27367923 1.0 Ga Ga16 1 0.83589044 0.67178288 0.03600032 1.0 Ga Ga17 1 0.32821712 0.16410956 0.03600032 1.0 Ga Ga18 1 0.83589044 0.16410956 0.03600032 1.0 Ga Ga19 1 0.16410956 0.32821712 0.53600032 1.0 Ga Ga20 1 0.67178288 0.83589044 0.53600032 1.0 Ga Ga21 1 0.16410956 0.83589044 0.53600032 1.0 Ir Ir22 1 0.66666700 0.33333300 0.55804804 1.0 Ir Ir23 1 0.33333300 0.66666700 0.05804804 1.0