# generated using pymatgen data_Sc2Ga2IrAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22839436 _cell_length_b 7.22839359 _cell_length_c 7.02519094 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998994 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Ga2IrAu _chemical_formula_sum 'Sc6 Ga6 Ir3 Au3' _cell_volume 317.88675920 _cell_formula_units_Z 3 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 0.61711096 0.00999542 0.75639096 1.0 Sc Sc1 1 0.99000458 0.60711554 0.75639096 1.0 Sc Sc2 1 0.39288446 0.38288904 0.75639096 1.0 Sc Sc3 1 0.98905999 0.60660298 0.24359290 1.0 Sc Sc4 1 0.61754300 0.01094001 0.24359290 1.0 Sc Sc5 1 0.39339702 0.38245700 0.24359290 1.0 Ga Ga6 1 0.72277317 0.71654147 0.99993357 1.0 Ga Ga7 1 0.28345853 0.00623170 0.99993357 1.0 Ga Ga8 1 0.99376830 0.27722683 0.99993357 1.0 Ga Ga9 1 0.75580739 0.76066666 0.49996842 1.0 Ga Ga10 1 0.23933334 0.99514073 0.49996842 1.0 Ga Ga11 1 0.00485927 0.24419261 0.49996842 1.0 Ir Ir12 1 0.00000000 0.00000000 0.77911005 1.0 Ir Ir13 1 0.00000000 0.00000000 0.22083503 1.0 Ir Ir14 1 0.66666700 0.33333300 0.99947775 1.0 Au Au15 1 0.66666700 0.33333300 0.50082248 1.0 Au Au16 1 0.33333300 0.66666700 0.49923764 1.0 Au Au17 1 0.33333300 0.66666700 0.00085654 1.0