# generated using pymatgen data_Sc4Al17GeIr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42258248 _cell_length_b 7.42258191 _cell_length_c 9.27163823 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.77087644 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Al17GeIr6 _chemical_formula_sum 'Sc4 Al17 Ge1 Ir6' _cell_volume 443.39951822 _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 0.99315947 0.67827686 0.75000000 1.0 Sc Sc1 1 0.00203545 0.33107940 0.25000000 1.0 Sc Sc2 1 0.67827686 0.99315947 0.75000000 1.0 Sc Sc3 1 0.33107940 0.00203545 0.25000000 1.0 Al Al4 1 0.87771034 0.87771034 0.25000000 1.0 Al Al5 1 0.99791809 0.33699925 0.57438724 1.0 Al Al6 1 0.99979395 0.66570666 0.42436886 1.0 Al Al7 1 0.99979395 0.66570666 0.07563114 1.0 Al Al8 1 0.33699925 0.99791809 0.92561276 1.0 Al Al9 1 0.99791809 0.33699925 0.92561276 1.0 Al Al10 1 0.66570666 0.99979395 0.07563114 1.0 Al Al11 1 0.66570666 0.99979395 0.42436886 1.0 Al Al12 1 0.33699925 0.99791809 0.57438724 1.0 Al Al13 1 0.32945705 0.32945705 0.06687620 1.0 Al Al14 1 0.66340848 0.66340848 0.94315353 1.0 Al Al15 1 0.66340848 0.66340848 0.55684647 1.0 Al Al16 1 0.32945705 0.32945705 0.43312380 1.0 Al Al17 1 0.33641997 0.55800523 0.75000000 1.0 Al Al18 1 0.66263703 0.44998348 0.25000000 1.0 Al Al19 1 0.55800523 0.33641997 0.75000000 1.0 Al Al20 1 0.44998348 0.66263703 0.25000000 1.0 Ge Ge21 1 0.13766421 0.13766421 0.75000000 1.0 Ir Ir22 1 0.66905681 0.32552929 0.49947450 1.0 Ir Ir23 1 0.32552929 0.66905681 0.49947450 1.0 Ir Ir24 1 0.32552929 0.66905681 0.00052550 1.0 Ir Ir25 1 0.66905681 0.32552929 0.00052550 1.0 Ir Ir26 1 0.99864671 0.99864671 0.50301674 1.0 Ir Ir27 1 0.99864671 0.99864671 0.99698326 1.0