# generated using pymatgen data_Sc5Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.65983240 _cell_length_b 12.65983254 _cell_length_c 3.91111978 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000220 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Si12Ir19 _chemical_formula_sum 'Sc5 Si12 Ir19' _cell_volume 542.85976705 _cell_formula_units_Z 1 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 0.33333300 0.66666700 0.00000000 1.0 Sc Sc1 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc2 1 0.81624405 0.00000000 0.50000000 1.0 Sc Sc3 1 0.00000000 0.81624405 0.50000000 1.0 Sc Sc4 1 0.18375595 0.18375595 0.50000000 1.0 Si Si5 1 0.17904770 0.00000000 0.00000000 1.0 Si Si6 1 0.00000000 0.17904770 0.00000000 1.0 Si Si7 1 0.82095230 0.82095230 0.00000000 1.0 Si Si8 1 0.17000921 0.48197746 0.50000000 1.0 Si Si9 1 0.51802254 0.68803076 0.50000000 1.0 Si Si10 1 0.31196924 0.82999079 0.50000000 1.0 Si Si11 1 0.68803076 0.51802254 0.50000000 1.0 Si Si12 1 0.82999079 0.31196924 0.50000000 1.0 Si Si13 1 0.48197746 0.17000921 0.50000000 1.0 Si Si14 1 0.63393608 0.00000000 0.00000000 1.0 Si Si15 1 0.00000000 0.63393608 0.00000000 1.0 Si Si16 1 0.36606392 0.36606392 0.00000000 1.0 Ir Ir17 1 0.44705822 0.00000000 0.00000000 1.0 Ir Ir18 1 0.00000000 0.44705822 0.00000000 1.0 Ir Ir19 1 0.55294178 0.55294178 0.00000000 1.0 Ir Ir20 1 0.36137058 0.48893492 0.50000000 1.0 Ir Ir21 1 0.51106508 0.87243566 0.50000000 1.0 Ir Ir22 1 0.12756434 0.63862942 0.50000000 1.0 Ir Ir23 1 0.87243566 0.51106508 0.50000000 1.0 Ir Ir24 1 0.63862942 0.12756434 0.50000000 1.0 Ir Ir25 1 0.48893492 0.36137058 0.50000000 1.0 Ir Ir26 1 0.18272857 0.37525731 0.00000000 1.0 Ir Ir27 1 0.62474269 0.80747125 0.00000000 1.0 Ir Ir28 1 0.19252875 0.81727143 0.00000000 1.0 Ir Ir29 1 0.80747125 0.62474269 0.00000000 1.0 Ir Ir30 1 0.81727143 0.19252875 0.00000000 1.0 Ir Ir31 1 0.37525731 0.18272857 0.00000000 1.0 Ir Ir32 1 0.28133050 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.28133050 0.50000000 1.0 Ir Ir34 1 0.71866950 0.71866950 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0